1 ASN 1 N 0.0047 -0.0235 -0.0073 2 ASN 1 CA 0.0043 -0.0247 -0.0076 3 ASN 1 C 0.0045 -0.0237 -0.0072 4 ASN 1 O 0.0034 -0.0241 -0.0066 5 ASN 1 CB 0.0053 -0.0260 -0.0089 6 ASN 1 CG 0.0050 -0.0272 -0.0093 7 ASN 1 OD1 0.0062 -0.0278 -0.0104 8 ASN 1 ND2 0.0037 -0.0276 -0.0085 9 ASN 1 H1 0.0046 -0.0242 -0.0075 10 ASN 1 H2 0.0040 -0.0227 -0.0064 11 ASN 1 HA 0.0031 -0.0254 -0.0071 12 ASN 1 HB3 0.0066 -0.0253 -0.0095 13 ASN 1 HB2 0.0051 -0.0268 -0.0092 14 ASN 1 HD22 0.0035 -0.0284 -0.0088 15 ASN 1 HD21 0.0028 -0.0271 -0.0077 16 LEU 2 N 0.0058 -0.0225 -0.0076 17 LEU 2 CA 0.0061 -0.0214 -0.0072 18 LEU 2 C 0.0053 -0.0199 -0.0060 19 LEU 2 O 0.0054 -0.0188 -0.0055 20 LEU 2 CB 0.0078 -0.0208 -0.0081 21 LEU 2 CG 0.0087 -0.0220 -0.0093 22 LEU 2 CD1 0.0104 -0.0215 -0.0103 23 LEU 2 CD2 0.0083 -0.0220 -0.0091 24 LEU 2 H 0.0067 -0.0224 -0.0081 25 LEU 2 HA 0.0055 -0.0222 -0.0072 26 LEU 2 HB3 0.0080 -0.0196 -0.0077 27 LEU 2 HB2 0.0085 -0.0203 -0.0083 28 LEU 2 HG 0.0082 -0.0233 -0.0096 29 LEU 2 HD11 0.0110 -0.0224 -0.0111 30 LEU 2 HD12 0.0107 -0.0215 -0.0104 31 LEU 2 HD13 0.0109 -0.0202 -0.0100 32 LEU 2 HD21 0.0089 -0.0229 -0.0099 33 LEU 2 HD22 0.0088 -0.0207 -0.0087 34 LEU 2 HD23 0.0071 -0.0225 -0.0084 35 GLY 3 N 0.0072 -0.0203 -0.0045 36 GLY 3 CA 0.0058 -0.0187 -0.0043 37 GLY 3 C 0.0042 -0.0193 -0.0033 38 GLY 3 O 0.0039 -0.0208 -0.0027 39 GLY 3 H 0.0070 -0.0214 -0.0040 40 GLY 3 HA3 0.0056 -0.0181 -0.0044 41 GLY 3 HA2 0.0063 -0.0177 -0.0049 42 LEU 4 N 0.0031 -0.0179 -0.0033 43 LEU 4 CA 0.0014 -0.0182 -0.0024 44 LEU 4 C -0.0000 -0.0174 -0.0020 45 LEU 4 O -0.0000 -0.0159 -0.0025 46 LEU 4 CB 0.0013 -0.0173 -0.0026 47 LEU 4 CG -0.0001 -0.0177 -0.0018 48 LEU 4 CD1 0.0001 -0.0197 -0.0012 49 LEU 4 CD2 -0.0001 -0.0166 -0.0022 50 LEU 4 H 0.0034 -0.0166 -0.0039 51 LEU 4 HA 0.0014 -0.0196 -0.0019 52 LEU 4 HB3 0.0012 -0.0158 -0.0031 53 LEU 4 HB2 0.0025 -0.0176 -0.0031 54 LEU 4 HG -0.0014 -0.0173 -0.0013 55 LEU 4 HD11 -0.0009 -0.0200 -0.0006 56 LEU 4 HD12 0.0000 -0.0205 -0.0009 57 LEU 4 HD13 0.0013 -0.0201 -0.0017 58 LEU 4 HD21 -0.0011 -0.0169 -0.0016 59 LEU 4 HD22 0.0012 -0.0170 -0.0027 60 LEU 4 HD23 -0.0002 -0.0152 -0.0026 61 ASP 5 N -0.0011 -0.0192 -0.0010 62 ASP 5 CA -0.0023 -0.0184 -0.0004 63 ASP 5 C -0.0041 -0.0181 0.0005 64 ASP 5 O -0.0046 -0.0194 0.0010 65 ASP 5 CB -0.0023 -0.0197 -0.0002 66 ASP 5 CG -0.0009 -0.0195 -0.0011 67 ASP 5 OD1 -0.0000 -0.0181 -0.0017 68 ASP 5 OD2 -0.0005 -0.0207 -0.0010 69 ASP 5 H -0.0012 -0.0205 -0.0007 70 ASP 5 HA -0.0020 -0.0170 -0.0009 71 ASP 5 HB3 -0.0035 -0.0194 0.0004 72 ASP 5 HB2 -0.0023 -0.0212 0.0000 73 CYS 6 N -0.0050 -0.0165 0.0007 74 CYS 6 CA -0.0067 -0.0161 0.0016 75 CYS 6 C -0.0078 -0.0154 0.0021 76 CYS 6 O -0.0072 -0.0148 0.0017 77 CYS 6 CB -0.0067 -0.0146 0.0014 78 CYS 6 SG -0.0054 -0.0152 0.0007 79 CYS 6 H -0.0044 -0.0156 0.0003 80 CYS 6 HA -0.0071 -0.0174 0.0021 81 CYS 6 HB3 -0.0080 -0.0144 0.0021 82 CYS 6 HB2 -0.0064 -0.0133 0.0010 83 ASP 7 N -0.0106 -0.0164 0.0034 84 ASP 7 CA -0.0115 -0.0153 0.0040 85 ASP 7 C -0.0129 -0.0135 0.0050 86 ASP 7 O -0.0132 -0.0131 0.0052 87 ASP 7 CB -0.0127 -0.0172 0.0042 88 ASP 7 CG -0.0145 -0.0185 0.0048 89 ASP 7 OD1 -0.0162 -0.0176 0.0058 90 ASP 7 OD2 -0.0142 -0.0206 0.0044 91 ASP 7 H -0.0116 -0.0172 0.0037 92 ASP 7 HA -0.0101 -0.0145 0.0035 93 ASP 7 HB3 -0.0116 -0.0184 0.0035 94 ASP 7 HB2 -0.0134 -0.0163 0.0047 95 GLU 8 N -0.0139 -0.0124 0.0056 96 GLU 8 CA -0.0153 -0.0105 0.0065 97 GLU 8 C -0.0173 -0.0114 0.0073 98 GLU 8 O -0.0181 -0.0100 0.0079 99 GLU 8 CB -0.0160 -0.0093 0.0071 100 GLU 8 CG -0.0166 -0.0109 0.0071 101 GLU 8 CD -0.0146 -0.0119 0.0060 102 GLU 8 OE1 -0.0129 -0.0106 0.0054 103 GLU 8 OE2 -0.0147 -0.0141 0.0057 104 GLU 8 H -0.0136 -0.0128 0.0054 105 GLU 8 HA -0.0144 -0.0092 0.0063 106 GLU 8 HB3 -0.0148 -0.0079 0.0067 107 GLU 8 HB2 -0.0174 -0.0083 0.0079 108 GLU 8 HG3 -0.0174 -0.0099 0.0076 109 GLU 8 HG2 -0.0177 -0.0124 0.0074 110 HIS 9 N -0.0196 -0.0143 0.0068 111 HIS 9 CA -0.0217 -0.0145 0.0075 112 HIS 9 C -0.0210 -0.0159 0.0070 113 HIS 9 O -0.0221 -0.0179 0.0071 114 HIS 9 CB -0.0240 -0.0156 0.0081 115 HIS 9 CG -0.0247 -0.0141 0.0086 116 HIS 9 ND1 -0.0257 -0.0117 0.0093 117 HIS 9 CD2 -0.0253 -0.0149 0.0087 118 HIS 9 CE1 -0.0264 -0.0110 0.0097 119 HIS 9 NE2 -0.0262 -0.0129 0.0093 120 HIS 9 H -0.0188 -0.0157 0.0063 121 HIS 9 HA -0.0221 -0.0126 0.0079 122 HIS 9 HB3 -0.0255 -0.0158 0.0086 123 HIS 9 HB2 -0.0237 -0.0176 0.0077 124 HIS 9 HD1 -0.0257 -0.0108 0.0094 125 HIS 9 HD2 -0.0250 -0.0169 0.0082 126 HIS 9 HE1 -0.0271 -0.0091 0.0102 127 SER 10 N -0.0190 -0.0148 0.0066 128 SER 10 CA -0.0180 -0.0156 0.0061 129 SER 10 C -0.0184 -0.0134 0.0066 130 SER 10 O -0.0182 -0.0112 0.0068 131 SER 10 CB -0.0153 -0.0161 0.0051 132 SER 10 OG -0.0141 -0.0155 0.0048 133 SER 10 H -0.0181 -0.0133 0.0065 134 SER 10 HA -0.0191 -0.0173 0.0062 135 SER 10 HB3 -0.0145 -0.0150 0.0050 136 SER 10 HB2 -0.0151 -0.0181 0.0047 137 SER 10 HG -0.0124 -0.0159 0.0041 138 SER 11 N -0.0194 -0.0134 0.0065 139 SER 11 CA -0.0193 -0.0111 0.0060 140 SER 11 C -0.0158 -0.0111 0.0043 141 SER 11 O -0.0153 -0.0105 0.0039 142 SER 11 CB -0.0215 -0.0122 0.0074 143 SER 11 OG -0.0208 -0.0158 0.0077 144 SER 11 H -0.0191 -0.0161 0.0069 145 SER 11 HA -0.0201 -0.0084 0.0059 146 SER 11 HB3 -0.0240 -0.0117 0.0086 147 SER 11 HB2 -0.0212 -0.0106 0.0069 148 SER 11 HG -0.0186 -0.0163 0.0067 149 GLU 12 N -0.0135 -0.0117 0.0032 150 GLU 12 CA -0.0101 -0.0119 0.0015 151 GLU 12 C -0.0091 -0.0081 0.0002 152 GLU 12 O -0.0093 -0.0059 -0.0000 153 GLU 12 CB -0.0081 -0.0137 0.0008 154 GLU 12 CG -0.0045 -0.0138 -0.0010 155 GLU 12 CD -0.0033 -0.0158 -0.0012 156 GLU 12 OE1 -0.0035 -0.0191 -0.0005 157 GLU 12 OE2 -0.0022 -0.0141 -0.0021 158 GLU 12 H -0.0141 -0.0122 0.0036 159 GLU 12 HA -0.0096 -0.0134 0.0015 160 GLU 12 HB3 -0.0088 -0.0125 0.0009 161 GLU 12 HB2 -0.0088 -0.0164 0.0017 162 GLU 12 HG3 -0.0038 -0.0111 -0.0019 163 GLU 12 HG2 -0.0033 -0.0150 -0.0014 164 SER 13 N -0.0052 -0.0064 -0.0065 165 SER 13 CA -0.0047 -0.0046 -0.0072 166 SER 13 C -0.0027 -0.0045 -0.0072 167 SER 13 O -0.0024 -0.0032 -0.0077 168 SER 13 CB -0.0046 -0.0032 -0.0078 169 SER 13 OG -0.0029 -0.0034 -0.0076 170 SER 13 H -0.0048 -0.0068 -0.0064 171 SER 13 HA -0.0058 -0.0041 -0.0074 172 SER 13 HB3 -0.0060 -0.0034 -0.0078 173 SER 13 HB2 -0.0046 -0.0018 -0.0083 174 SER 13 HG -0.0018 -0.0032 -0.0076 175 ARG 14 N -0.0014 -0.0057 -0.0067 176 ARG 14 CA 0.0006 -0.0057 -0.0066 177 ARG 14 C 0.0007 -0.0064 -0.0063 178 ARG 14 O -0.0007 -0.0073 -0.0060 179 ARG 14 CB 0.0021 -0.0069 -0.0061 180 ARG 14 CG 0.0021 -0.0063 -0.0063 181 ARG 14 CD 0.0042 -0.0062 -0.0063 182 ARG 14 NE 0.0043 -0.0059 -0.0064 183 ARG 14 CZ 0.0041 -0.0042 -0.0070 184 ARG 14 NH1 0.0038 -0.0027 -0.0076 185 ARG 14 NH2 0.0042 -0.0040 -0.0071 186 ARG 14 H -0.0017 -0.0068 -0.0063 187 ARG 14 HA 0.0012 -0.0043 -0.0071 188 ARG 14 HB3 0.0036 -0.0068 -0.0061 189 ARG 14 HB2 0.0016 -0.0083 -0.0055 190 ARG 14 HG3 0.0013 -0.0074 -0.0059 191 ARG 14 HG2 0.0014 -0.0050 -0.0068 192 ARG 14 HD3 0.0050 -0.0050 -0.0067 193 ARG 14 HD2 0.0050 -0.0075 -0.0057 194 ARG 14 HE 0.0045 -0.0070 -0.0059 195 ARG 14 HH12 0.0037 -0.0014 -0.0081 196 ARG 14 HH11 0.0038 -0.0028 -0.0076 197 ARG 14 HH22 0.0040 -0.0028 -0.0076 198 ARG 14 HH21 0.0044 -0.0052 -0.0066 199 CYS 15 N 0.0024 -0.0066 -0.0061 200 CYS 15 CA 0.0026 -0.0066 -0.0062 201 CYS 15 C 0.0022 -0.0087 -0.0052 202 CYS 15 O 0.0033 -0.0103 -0.0049 203 CYS 15 CB 0.0048 -0.0061 -0.0070 204 CYS 15 SG 0.0053 -0.0062 -0.0072 205 CYS 15 H 0.0035 -0.0061 -0.0067 206 CYS 15 HA 0.0014 -0.0055 -0.0063 207 CYS 15 HB3 0.0060 -0.0071 -0.0069 208 CYS 15 HB2 0.0050 -0.0046 -0.0077 209 CYS 16 N 0.0008 -0.0086 -0.0048 210 CYS 16 CA -0.0000 -0.0105 -0.0038 211 CYS 16 C -0.0008 -0.0103 -0.0037 212 CYS 16 O -0.0013 -0.0086 -0.0042 213 CYS 16 CB -0.0018 -0.0110 -0.0031 214 CYS 16 SG -0.0025 -0.0135 -0.0018 215 CYS 16 H 0.0002 -0.0073 -0.0052 216 CYS 16 HA 0.0013 -0.0117 -0.0037 217 CYS 16 HB3 -0.0032 -0.0099 -0.0032 218 CYS 16 HB2 -0.0014 -0.0108 -0.0033 219 ARG 17 N 0.0002 -0.0113 -0.0017 220 ARG 17 CA -0.0000 -0.0108 -0.0017 221 ARG 17 C -0.0016 -0.0110 -0.0008 222 ARG 17 O -0.0022 -0.0123 -0.0002 223 ARG 17 CB 0.0010 -0.0119 -0.0021 224 ARG 17 CG 0.0010 -0.0113 -0.0022 225 ARG 17 CD 0.0020 -0.0124 -0.0026 226 ARG 17 NE 0.0016 -0.0140 -0.0020 227 ARG 17 CZ 0.0018 -0.0150 -0.0020 228 ARG 17 NH1 0.0025 -0.0144 -0.0025 229 ARG 17 NH2 0.0014 -0.0165 -0.0015 230 ARG 17 H 0.0004 -0.0124 -0.0016 231 ARG 17 HA 0.0002 -0.0095 -0.0020 232 ARG 17 HB3 0.0007 -0.0131 -0.0017 233 ARG 17 HB2 0.0021 -0.0119 -0.0027 234 ARG 17 HG3 0.0013 -0.0100 -0.0025 235 ARG 17 HG2 -0.0001 -0.0113 -0.0016 236 ARG 17 HD3 0.0031 -0.0124 -0.0032 237 ARG 17 HD2 0.0020 -0.0118 -0.0027 238 ARG 17 HE 0.0011 -0.0145 -0.0017 239 ARG 17 HH12 0.0026 -0.0152 -0.0025 240 ARG 17 HH11 0.0028 -0.0133 -0.0028 241 ARG 17 HH22 0.0016 -0.0172 -0.0015 242 ARG 17 HH21 0.0009 -0.0169 -0.0012 243 TYR 18 N -0.0023 -0.0097 -0.0006 244 TYR 18 CA -0.0038 -0.0096 0.0002 245 TYR 18 C -0.0038 -0.0095 0.0002 246 TYR 18 O -0.0028 -0.0089 -0.0005 247 TYR 18 CB -0.0047 -0.0082 0.0005 248 TYR 18 CG -0.0050 -0.0083 0.0007 249 TYR 18 CD1 -0.0039 -0.0079 0.0000 250 TYR 18 CD2 -0.0062 -0.0089 0.0015 251 TYR 18 CE1 -0.0042 -0.0080 0.0002 252 TYR 18 CE2 -0.0065 -0.0091 0.0016 253 TYR 18 CZ -0.0054 -0.0086 0.0010 254 TYR 18 OH -0.0057 -0.0088 0.0011 255 TYR 18 H -0.0018 -0.0086 -0.0011 256 TYR 18 HA -0.0042 -0.0107 0.0007 257 TYR 18 HB3 -0.0057 -0.0080 0.0010 258 TYR 18 HB2 -0.0042 -0.0070 0.0000 259 TYR 18 HD1 -0.0029 -0.0074 -0.0006 260 TYR 18 HD2 -0.0070 -0.0093 0.0020 261 TYR 18 HE1 -0.0034 -0.0077 -0.0003 262 TYR 18 HE2 -0.0075 -0.0095 0.0023 263 TYR 18 HH -0.0048 -0.0084 0.0006 264 PRO 19 N -0.0028 -0.0100 0.0025 265 PRO 19 CA -0.0024 -0.0091 0.0022 266 PRO 19 C -0.0023 -0.0074 0.0027 267 PRO 19 O -0.0028 -0.0069 0.0036 268 PRO 19 CB -0.0031 -0.0098 0.0030 269 PRO 19 CG -0.0040 -0.0103 0.0041 270 PRO 19 CD -0.0038 -0.0108 0.0036 271 PRO 19 HA -0.0018 -0.0093 0.0012 272 PRO 19 HB3 -0.0030 -0.0108 0.0024 273 PRO 19 HB2 -0.0031 -0.0089 0.0034 274 PRO 19 HG3 -0.0045 -0.0113 0.0044 275 PRO 19 HG2 -0.0043 -0.0094 0.0049 276 PRO 19 HD2 -0.0042 -0.0105 0.0044 277 PRO 19 HD3 -0.0039 -0.0121 0.0032 278 LEU 20 N -0.0016 -0.0065 0.0020 279 LEU 20 CA -0.0014 -0.0048 0.0023 280 LEU 20 C -0.0007 -0.0042 0.0016 281 LEU 20 O 0.0000 -0.0043 0.0004 282 LEU 20 CB -0.0009 -0.0040 0.0019 283 LEU 20 CG -0.0006 -0.0023 0.0022 284 LEU 20 CD1 -0.0014 -0.0017 0.0036 285 LEU 20 CD2 0.0000 -0.0015 0.0015 286 LEU 20 H -0.0011 -0.0069 0.0011 287 LEU 20 HA -0.0020 -0.0046 0.0034 288 LEU 20 HB3 -0.0003 -0.0044 0.0009 289 LEU 20 HB2 -0.0014 -0.0044 0.0025 290 LEU 20 HG -0.0002 -0.0020 0.0017 291 LEU 20 HD11 -0.0012 -0.0005 0.0038 292 LEU 20 HD12 -0.0018 -0.0022 0.0040 293 LEU 20 HD13 -0.0019 -0.0021 0.0041 294 LEU 20 HD21 0.0002 -0.0003 0.0017 295 LEU 20 HD22 -0.0003 -0.0018 0.0019 296 LEU 20 HD23 0.0006 -0.0019 0.0005 297 THR 21 N -0.0006 -0.0006 0.0060 298 THR 21 CA -0.0009 0.0006 0.0058 299 THR 21 C -0.0012 0.0019 0.0052 300 THR 21 O -0.0013 0.0021 0.0058 301 THR 21 CB -0.0011 0.0011 0.0072 302 THR 21 OG1 -0.0009 -0.0000 0.0077 303 THR 21 CG2 -0.0014 0.0024 0.0070 304 THR 21 H -0.0006 -0.0008 0.0070 305 THR 21 HA -0.0008 0.0004 0.0050 306 THR 21 HB -0.0012 0.0012 0.0081 307 THR 21 HG1 -0.0008 -0.0002 0.0070 308 THR 21 HG21 -0.0016 0.0027 0.0080 309 THR 21 HG22 -0.0016 0.0033 0.0067 310 THR 21 HG23 -0.0013 0.0023 0.0062 311 VAL 22 N -0.0013 0.0025 0.0040 312 VAL 22 CA -0.0015 0.0038 0.0034 313 VAL 22 C -0.0019 0.0051 0.0039 314 VAL 22 O -0.0019 0.0052 0.0037 315 VAL 22 CB -0.0014 0.0038 0.0017 316 VAL 22 CG1 -0.0018 0.0052 0.0011 317 VAL 22 CG2 -0.0011 0.0026 0.0012 318 VAL 22 H -0.0011 0.0022 0.0035 319 VAL 22 HA -0.0016 0.0039 0.0038 320 VAL 22 HB -0.0013 0.0035 0.0013 321 VAL 22 HG11 -0.0017 0.0052 -0.0001 322 VAL 22 HG12 -0.0020 0.0060 0.0014 323 VAL 22 HG13 -0.0019 0.0055 0.0015 324 VAL 22 HG21 -0.0010 0.0026 0.0000 325 VAL 22 HG22 -0.0012 0.0029 0.0016 326 VAL 22 HG23 -0.0009 0.0016 0.0016 327 ASP 23 N -0.0025 0.0076 0.0054 328 ASP 23 CA -0.0030 0.0088 0.0060 329 ASP 23 C -0.0036 0.0096 0.0051 330 ASP 23 O -0.0037 0.0097 0.0050 331 ASP 23 CB -0.0028 0.0090 0.0072 332 ASP 23 CG -0.0032 0.0102 0.0079 333 ASP 23 OD1 -0.0037 0.0110 0.0074 334 ASP 23 OD2 -0.0030 0.0103 0.0088 335 ASP 23 H -0.0024 0.0073 0.0054 336 ASP 23 HA -0.0030 0.0089 0.0061 337 ASP 23 HB3 -0.0027 0.0089 0.0071 338 ASP 23 HB2 -0.0023 0.0084 0.0078 339 PHE 24 N -0.0040 0.0102 0.0046 340 PHE 24 CA -0.0046 0.0110 0.0037 341 PHE 24 C -0.0049 0.0120 0.0042 342 PHE 24 O -0.0053 0.0123 0.0036 343 PHE 24 CB -0.0050 0.0114 0.0030 344 PHE 24 CG -0.0047 0.0105 0.0022 345 PHE 24 CD1 -0.0046 0.0098 0.0013 346 PHE 24 CD2 -0.0046 0.0103 0.0024 347 PHE 24 CE1 -0.0044 0.0089 0.0006 348 PHE 24 CE2 -0.0043 0.0094 0.0017 349 PHE 24 CZ -0.0042 0.0087 0.0008 350 PHE 24 H -0.0039 0.0102 0.0048 351 PHE 24 HA -0.0045 0.0105 0.0030 352 PHE 24 HB3 -0.0054 0.0121 0.0024 353 PHE 24 HB2 -0.0050 0.0118 0.0037 354 PHE 24 HD1 -0.0047 0.0100 0.0011 355 PHE 24 HD2 -0.0046 0.0108 0.0031 356 PHE 24 HE1 -0.0043 0.0084 -0.0001 357 PHE 24 HE2 -0.0042 0.0092 0.0019 358 PHE 24 HZ -0.0040 0.0081 0.0002 359 GLU 25 N -0.0048 0.0123 0.0051 360 GLU 25 CA -0.0051 0.0133 0.0057 361 GLU 25 C -0.0049 0.0129 0.0061 362 GLU 25 O -0.0052 0.0136 0.0060 363 GLU 25 CB -0.0051 0.0138 0.0069 364 GLU 25 CG -0.0051 0.0139 0.0068 365 GLU 25 CD -0.0051 0.0145 0.0080 366 GLU 25 OE1 -0.0047 0.0139 0.0090 367 GLU 25 OE2 -0.0055 0.0155 0.0081 368 GLU 25 H -0.0046 0.0120 0.0055 369 GLU 25 HA -0.0055 0.0140 0.0051 370 GLU 25 HB3 -0.0054 0.0147 0.0071 371 GLU 25 HB2 -0.0048 0.0133 0.0077 372 GLU 25 HG3 -0.0048 0.0131 0.0066 373 GLU 25 HG2 -0.0055 0.0145 0.0061 374 ALA 26 N -0.0044 0.0119 0.0065 375 ALA 26 CA -0.0041 0.0114 0.0069 376 ALA 26 C -0.0043 0.0112 0.0058 377 ALA 26 O -0.0041 0.0109 0.0059 378 ALA 26 CB -0.0036 0.0103 0.0075 379 ALA 26 H -0.0042 0.0114 0.0065 380 ALA 26 HA -0.0043 0.0120 0.0075 381 ALA 26 HB1 -0.0034 0.0099 0.0078 382 ALA 26 HB2 -0.0035 0.0105 0.0083 383 ALA 26 HB3 -0.0034 0.0096 0.0069 384 PHE 27 N -0.0050 0.0109 0.0044 385 PHE 27 CA -0.0051 0.0111 0.0030 386 PHE 27 C -0.0060 0.0123 0.0027 387 PHE 27 O -0.0063 0.0127 0.0018 388 PHE 27 CB -0.0047 0.0105 0.0020 389 PHE 27 CG -0.0038 0.0093 0.0021 390 PHE 27 CD1 -0.0034 0.0088 0.0031 391 PHE 27 CD2 -0.0033 0.0086 0.0013 392 PHE 27 CE1 -0.0026 0.0077 0.0032 393 PHE 27 CE2 -0.0025 0.0075 0.0015 394 PHE 27 CZ -0.0021 0.0070 0.0024 395 PHE 27 H -0.0050 0.0109 0.0045 396 PHE 27 HA -0.0049 0.0108 0.0029 397 PHE 27 HB3 -0.0049 0.0107 0.0010 398 PHE 27 HB2 -0.0049 0.0107 0.0021 399 PHE 27 HD1 -0.0038 0.0093 0.0037 400 PHE 27 HD2 -0.0036 0.0089 0.0006 401 PHE 27 HE1 -0.0023 0.0073 0.0039 402 PHE 27 HE2 -0.0021 0.0070 0.0008 403 PHE 27 HZ -0.0015 0.0062 0.0025 404 GLY 28 N -0.0065 0.0129 0.0035 405 GLY 28 CA -0.0074 0.0140 0.0034 406 GLY 28 C -0.0076 0.0144 0.0026 407 GLY 28 O -0.0083 0.0153 0.0023 408 GLY 28 H -0.0062 0.0125 0.0042 409 GLY 28 HA3 -0.0076 0.0143 0.0029 410 GLY 28 HA2 -0.0076 0.0144 0.0044 411 TRP 29 N -0.0065 0.0122 0.0018 412 TRP 29 CA -0.0064 0.0122 0.0016 413 TRP 29 C -0.0066 0.0122 0.0021 414 TRP 29 O -0.0063 0.0118 0.0025 415 TRP 29 CB -0.0057 0.0119 0.0014 416 TRP 29 CG -0.0054 0.0119 0.0009 417 TRP 29 CD1 -0.0057 0.0122 0.0005 418 TRP 29 CD2 -0.0048 0.0116 0.0006 419 TRP 29 NE1 -0.0052 0.0121 0.0001 420 TRP 29 CE2 -0.0047 0.0118 0.0001 421 TRP 29 CE3 -0.0042 0.0113 0.0007 422 TRP 29 CZ2 -0.0041 0.0116 -0.0002 423 TRP 29 CZ3 -0.0037 0.0111 0.0004 424 TRP 29 CH2 -0.0036 0.0112 -0.0001 425 TRP 29 H -0.0062 0.0119 0.0019 426 TRP 29 HA -0.0065 0.0125 0.0011 427 TRP 29 HB3 -0.0056 0.0119 0.0012 428 TRP 29 HB2 -0.0055 0.0116 0.0018 429 TRP 29 HD1 -0.0061 0.0125 0.0007 430 TRP 29 HE1 -0.0054 0.0123 -0.0002 431 TRP 29 HE3 -0.0043 0.0111 0.0011 432 TRP 29 HZ2 -0.0041 0.0117 -0.0006 433 TRP 29 HZ3 -0.0033 0.0108 0.0004 434 TRP 29 HH2 -0.0032 0.0110 -0.0004 435 ASP 30 N -0.0072 0.0125 0.0020 436 ASP 30 CA -0.0075 0.0125 0.0025 437 ASP 30 C -0.0072 0.0124 0.0024 438 ASP 30 O -0.0073 0.0123 0.0028 439 ASP 30 CB -0.0082 0.0129 0.0025 440 ASP 30 CG -0.0083 0.0133 0.0019 441 ASP 30 OD1 -0.0080 0.0133 0.0014 442 ASP 30 OD2 -0.0087 0.0136 0.0019 443 ASP 30 H -0.0074 0.0128 0.0017 444 ASP 30 HA -0.0074 0.0123 0.0030 445 ASP 30 HB3 -0.0083 0.0130 0.0026 446 ASP 30 HB2 -0.0084 0.0129 0.0029 447 TRP 31 N -0.0053 0.0114 0.0033 448 TRP 31 CA -0.0053 0.0114 0.0037 449 TRP 31 C -0.0055 0.0118 0.0036 450 TRP 31 O -0.0056 0.0118 0.0038 451 TRP 31 CB -0.0053 0.0114 0.0043 452 TRP 31 CG -0.0056 0.0117 0.0043 453 TRP 31 CD1 -0.0055 0.0117 0.0043 454 TRP 31 CD2 -0.0058 0.0122 0.0045 455 TRP 31 NE1 -0.0058 0.0121 0.0044 456 TRP 31 CE2 -0.0060 0.0124 0.0046 457 TRP 31 CE3 -0.0060 0.0124 0.0047 458 TRP 31 CZ2 -0.0062 0.0128 0.0048 459 TRP 31 CZ3 -0.0062 0.0128 0.0049 460 TRP 31 CH2 -0.0064 0.0130 0.0049 461 TRP 31 H -0.0054 0.0115 0.0034 462 TRP 31 HA -0.0051 0.0111 0.0036 463 TRP 31 HB3 -0.0051 0.0111 0.0044 464 TRP 31 HB2 -0.0054 0.0114 0.0045 465 TRP 31 HD1 -0.0054 0.0114 0.0041 466 TRP 31 HE1 -0.0058 0.0122 0.0044 467 TRP 31 HE3 -0.0059 0.0122 0.0047 468 TRP 31 HZ2 -0.0063 0.0130 0.0048 469 TRP 31 HZ3 -0.0064 0.0130 0.0050 470 TRP 31 HH2 -0.0066 0.0134 0.0050 471 ILE 32 N -0.0057 0.0121 0.0032 472 ILE 32 CA -0.0059 0.0124 0.0030 473 ILE 32 C -0.0058 0.0123 0.0025 474 ILE 32 O -0.0058 0.0122 0.0021 475 ILE 32 CB -0.0062 0.0129 0.0030 476 ILE 32 CG1 -0.0063 0.0131 0.0035 477 ILE 32 CG2 -0.0064 0.0132 0.0026 478 ILE 32 CD1 -0.0066 0.0134 0.0035 479 ILE 32 H -0.0057 0.0121 0.0031 480 ILE 32 HA -0.0060 0.0125 0.0033 481 ILE 32 HB -0.0062 0.0128 0.0028 482 ILE 32 HG13 -0.0062 0.0128 0.0038 483 ILE 32 HG12 -0.0064 0.0132 0.0036 484 ILE 32 HG21 -0.0066 0.0135 0.0026 485 ILE 32 HG22 -0.0063 0.0130 0.0023 486 ILE 32 HG23 -0.0064 0.0132 0.0028 487 ILE 32 HD11 -0.0067 0.0136 0.0039 488 ILE 32 HD12 -0.0065 0.0133 0.0033 489 ILE 32 HD13 -0.0067 0.0137 0.0032 490 ILE 33 N -0.0042 0.0124 0.0017 491 ILE 33 CA -0.0036 0.0125 0.0002 492 ILE 33 C -0.0044 0.0135 -0.0008 493 ILE 33 O -0.0039 0.0136 -0.0018 494 ILE 33 CB -0.0034 0.0124 0.0001 495 ILE 33 CG1 -0.0025 0.0114 0.0011 496 ILE 33 CG2 -0.0028 0.0126 -0.0014 497 ILE 33 CD1 -0.0025 0.0113 0.0013 498 ILE 33 H -0.0048 0.0125 0.0022 499 ILE 33 HA -0.0027 0.0120 0.0000 500 ILE 33 HB -0.0042 0.0129 0.0004 501 ILE 33 HG13 -0.0028 0.0112 0.0021 502 ILE 33 HG12 -0.0016 0.0110 0.0007 503 ILE 33 HG21 -0.0026 0.0125 -0.0015 504 ILE 33 HG22 -0.0034 0.0133 -0.0021 505 ILE 33 HG23 -0.0019 0.0122 -0.0017 506 ILE 33 HD11 -0.0019 0.0106 0.0020 507 ILE 33 HD12 -0.0034 0.0118 0.0018 508 ILE 33 HD13 -0.0022 0.0115 0.0003 509 ALA 34 N -0.0056 0.0142 -0.0005 510 ALA 34 CA -0.0064 0.0151 -0.0014 511 ALA 34 C -0.0078 0.0157 -0.0005 512 ALA 34 O -0.0081 0.0155 0.0005 513 ALA 34 CB -0.0063 0.0155 -0.0026 514 ALA 34 H -0.0059 0.0140 0.0004 515 ALA 34 HA -0.0062 0.0151 -0.0018 516 ALA 34 HB1 -0.0070 0.0162 -0.0032 517 ALA 34 HB2 -0.0054 0.0151 -0.0032 518 ALA 34 HB3 -0.0066 0.0155 -0.0022 519 PRO 35 N -0.0062 0.0128 0.0027 520 PRO 35 CA -0.0057 0.0128 0.0034 521 PRO 35 C -0.0054 0.0126 0.0037 522 PRO 35 O -0.0056 0.0123 0.0035 523 PRO 35 CB -0.0056 0.0123 0.0034 524 PRO 35 CG -0.0060 0.0117 0.0029 525 PRO 35 CD -0.0064 0.0122 0.0025 526 PRO 35 HA -0.0056 0.0134 0.0035 527 PRO 35 HB3 -0.0057 0.0125 0.0033 528 PRO 35 HB2 -0.0053 0.0120 0.0038 529 PRO 35 HG3 -0.0061 0.0115 0.0028 530 PRO 35 HG2 -0.0059 0.0113 0.0031 531 PRO 35 HD2 -0.0066 0.0118 0.0023 532 PRO 35 HD3 -0.0067 0.0123 0.0022 533 LYS 36 N -0.0049 0.0128 0.0042 534 LYS 36 CA -0.0046 0.0126 0.0046 535 LYS 36 C -0.0045 0.0117 0.0047 536 LYS 36 O -0.0044 0.0114 0.0049 537 LYS 36 CB -0.0042 0.0130 0.0052 538 LYS 36 CG -0.0043 0.0138 0.0051 539 LYS 36 CD -0.0045 0.0140 0.0049 540 LYS 36 CE -0.0046 0.0148 0.0048 541 LYS 36 NZ -0.0049 0.0150 0.0044 542 LYS 36 H -0.0048 0.0130 0.0044 543 LYS 36 HA -0.0048 0.0127 0.0044 544 LYS 36 HB3 -0.0040 0.0129 0.0054 545 LYS 36 HB2 -0.0040 0.0129 0.0054 546 LYS 36 HG3 -0.0040 0.0141 0.0055 547 LYS 36 HG2 -0.0046 0.0140 0.0048 548 LYS 36 HD3 -0.0048 0.0137 0.0045 549 LYS 36 HD2 -0.0042 0.0139 0.0052 550 LYS 36 HE3 -0.0043 0.0151 0.0052 551 LYS 36 HE2 -0.0048 0.0150 0.0046 552 LYS 36 HZ1 -0.0052 0.0147 0.0040 553 LYS 36 HZ2 -0.0050 0.0155 0.0043 554 LYS 36 HZ3 -0.0048 0.0148 0.0046 555 ARG 37 N -0.0034 0.0092 0.0057 556 ARG 37 CA -0.0028 0.0078 0.0057 557 ARG 37 C -0.0022 0.0066 0.0053 558 ARG 37 O -0.0023 0.0069 0.0053 559 ARG 37 CB -0.0025 0.0076 0.0074 560 ARG 37 CG -0.0021 0.0070 0.0086 561 ARG 37 CD -0.0019 0.0067 0.0102 562 ARG 37 NE -0.0024 0.0079 0.0106 563 ARG 37 CZ -0.0030 0.0092 0.0112 564 ARG 37 NH1 -0.0031 0.0095 0.0115 565 ARG 37 NH2 -0.0034 0.0102 0.0115 566 ARG 37 H -0.0034 0.0093 0.0058 567 ARG 37 HA -0.0028 0.0078 0.0048 568 ARG 37 HB3 -0.0029 0.0086 0.0078 569 ARG 37 HB2 -0.0022 0.0068 0.0072 570 ARG 37 HG3 -0.0017 0.0060 0.0081 571 ARG 37 HG2 -0.0025 0.0078 0.0088 572 ARG 37 HD3 -0.0014 0.0057 0.0101 573 ARG 37 HD2 -0.0018 0.0066 0.0111 574 ARG 37 HE -0.0023 0.0077 0.0104 575 ARG 37 HH12 -0.0035 0.0105 0.0119 576 ARG 37 HH11 -0.0027 0.0088 0.0112 577 ARG 37 HH22 -0.0038 0.0112 0.0120 578 ARG 37 HH21 -0.0033 0.0100 0.0113 579 TYR 38 N -0.0017 0.0053 0.0049 580 TYR 38 CA -0.0011 0.0041 0.0044 581 TYR 38 C -0.0005 0.0027 0.0044 582 TYR 38 O -0.0005 0.0026 0.0044 583 TYR 38 CB -0.0014 0.0043 0.0027 584 TYR 38 CG -0.0013 0.0039 0.0013 585 TYR 38 CD1 -0.0017 0.0048 0.0008 586 TYR 38 CD2 -0.0008 0.0026 0.0004 587 TYR 38 CE1 -0.0016 0.0044 -0.0004 588 TYR 38 CE2 -0.0007 0.0022 -0.0008 589 TYR 38 CZ -0.0011 0.0031 -0.0013 590 TYR 38 OH -0.0010 0.0026 -0.0026 591 TYR 38 H -0.0016 0.0052 0.0049 592 TYR 38 HA -0.0011 0.0040 0.0052 593 TYR 38 HB3 -0.0019 0.0055 0.0026 594 TYR 38 HB2 -0.0011 0.0038 0.0026 595 TYR 38 HD1 -0.0022 0.0058 0.0015 596 TYR 38 HD2 -0.0004 0.0019 0.0008 597 TYR 38 HE1 -0.0020 0.0051 -0.0008 598 TYR 38 HE2 -0.0003 0.0011 -0.0015 599 TYR 38 HH -0.0007 0.0017 -0.0030 600 LYS 39 N -0.0010 -0.0011 0.0032 601 LYS 39 CA -0.0006 -0.0024 0.0032 602 LYS 39 C -0.0001 -0.0026 0.0015 603 LYS 39 O 0.0003 -0.0032 0.0005 604 LYS 39 CB -0.0002 -0.0038 0.0040 605 LYS 39 CG -0.0007 -0.0037 0.0057 606 LYS 39 CD -0.0003 -0.0052 0.0064 607 LYS 39 CE -0.0004 -0.0050 0.0068 608 LYS 39 NZ -0.0002 -0.0047 0.0053 609 LYS 39 H -0.0009 -0.0013 0.0030 610 LYS 39 HA -0.0008 -0.0021 0.0040 611 LYS 39 HB3 0.0001 -0.0048 0.0038 612 LYS 39 HB2 -0.0000 -0.0041 0.0033 613 LYS 39 HG3 -0.0010 -0.0028 0.0059 614 LYS 39 HG2 -0.0009 -0.0035 0.0064 615 LYS 39 HD3 -0.0004 -0.0056 0.0076 616 LYS 39 HD2 0.0002 -0.0062 0.0056 617 LYS 39 HE3 -0.0009 -0.0040 0.0075 618 LYS 39 HE2 -0.0003 -0.0060 0.0075 619 LYS 39 HZ1 -0.0003 -0.0039 0.0045 620 LYS 39 HZ2 0.0002 -0.0057 0.0047 621 LYS 39 HZ3 -0.0004 -0.0043 0.0055 622 ALA 40 N -0.0002 -0.0022 0.0012 623 ALA 40 CA 0.0002 -0.0023 -0.0003 624 ALA 40 C 0.0007 -0.0039 -0.0004 625 ALA 40 O 0.0012 -0.0046 -0.0017 626 ALA 40 CB -0.0002 -0.0010 -0.0008 627 ALA 40 H -0.0006 -0.0017 0.0021 628 ALA 40 HA 0.0003 -0.0023 -0.0012 629 ALA 40 HB1 0.0001 -0.0011 -0.0019 630 ALA 40 HB2 -0.0006 0.0001 -0.0008 631 ALA 40 HB3 -0.0004 -0.0010 0.0002 632 ASN 41 N -0.0002 -0.0058 -0.0006 633 ASN 41 CA 0.0001 -0.0065 -0.0005 634 ASN 41 C 0.0005 -0.0057 -0.0014 635 ASN 41 O 0.0006 -0.0047 -0.0022 636 ASN 41 CB 0.0009 -0.0080 -0.0007 637 ASN 41 CG 0.0006 -0.0088 0.0001 638 ASN 41 OD1 -0.0002 -0.0091 0.0012 639 ASN 41 ND2 0.0012 -0.0092 -0.0004 640 ASN 41 H -0.0010 -0.0056 0.0002 641 ASN 41 HA -0.0006 -0.0066 0.0003 642 ASN 41 HB3 0.0010 -0.0086 -0.0005 643 ASN 41 HB2 0.0016 -0.0079 -0.0016 644 ASN 41 HD22 0.0011 -0.0097 0.0000 645 ASN 41 HD21 0.0019 -0.0089 -0.0013 646 TYR 42 N 0.0006 -0.0062 -0.0013 647 TYR 42 CA 0.0010 -0.0055 -0.0022 648 TYR 42 C 0.0015 -0.0065 -0.0022 649 TYR 42 O 0.0013 -0.0076 -0.0014 650 TYR 42 CB 0.0002 -0.0042 -0.0019 651 TYR 42 CG -0.0006 -0.0044 -0.0008 652 TYR 42 CD1 -0.0014 -0.0048 0.0002 653 TYR 42 CD2 -0.0007 -0.0043 -0.0009 654 TYR 42 CE1 -0.0022 -0.0050 0.0012 655 TYR 42 CE2 -0.0014 -0.0045 0.0001 656 TYR 42 CZ -0.0022 -0.0049 0.0012 657 TYR 42 OH -0.0029 -0.0051 0.0022 658 TYR 42 H 0.0004 -0.0070 -0.0007 659 TYR 42 HA 0.0016 -0.0052 -0.0031 660 TYR 42 HB3 -0.0001 -0.0035 -0.0019 661 TYR 42 HB2 0.0006 -0.0036 -0.0027 662 TYR 42 HD1 -0.0014 -0.0049 0.0003 663 TYR 42 HD2 -0.0001 -0.0040 -0.0017 664 TYR 42 HE1 -0.0027 -0.0053 0.0021 665 TYR 42 HE2 -0.0014 -0.0044 0.0001 666 TYR 42 HH -0.0030 -0.0046 0.0020 667 CYS 43 N 0.0012 -0.0059 -0.0047 668 CYS 43 CA 0.0014 -0.0062 -0.0048 669 CYS 43 C 0.0005 -0.0053 -0.0045 670 CYS 43 O 0.0004 -0.0041 -0.0046 671 CYS 43 CB 0.0027 -0.0060 -0.0054 672 CYS 43 SG 0.0037 -0.0071 -0.0058 673 CYS 43 H 0.0016 -0.0052 -0.0050 674 CYS 43 HA 0.0011 -0.0072 -0.0046 675 CYS 43 HB3 0.0028 -0.0062 -0.0054 676 CYS 43 HB2 0.0029 -0.0050 -0.0056 677 SER 44 N 0.0000 -0.0058 -0.0042 678 SER 44 CA -0.0007 -0.0051 -0.0040 679 SER 44 C -0.0008 -0.0058 -0.0038 680 SER 44 O -0.0009 -0.0070 -0.0037 681 SER 44 CB -0.0020 -0.0048 -0.0034 682 SER 44 OG -0.0028 -0.0041 -0.0031 683 SER 44 H 0.0002 -0.0068 -0.0042 684 SER 44 HA -0.0003 -0.0041 -0.0042 685 SER 44 HB3 -0.0024 -0.0057 -0.0031 686 SER 44 HB2 -0.0020 -0.0042 -0.0035 687 SER 44 HG -0.0028 -0.0032 -0.0032 688 GLY 45 N -0.0017 -0.0037 -0.0069 689 GLY 45 CA -0.0012 -0.0038 -0.0069 690 GLY 45 C 0.0003 -0.0024 -0.0075 691 GLY 45 O 0.0012 -0.0015 -0.0079 692 GLY 45 H -0.0017 -0.0025 -0.0074 693 GLY 45 HA3 -0.0007 -0.0051 -0.0063 694 GLY 45 HA2 -0.0026 -0.0036 -0.0069 695 GLN 46 N 0.0006 -0.0022 -0.0076 696 GLN 46 CA 0.0019 -0.0008 -0.0083 697 GLN 46 C 0.0040 -0.0014 -0.0081 698 GLN 46 O 0.0045 -0.0030 -0.0075 699 GLN 46 CB 0.0013 -0.0002 -0.0085 700 GLN 46 CG -0.0008 0.0005 -0.0087 701 GLN 46 CD -0.0012 0.0021 -0.0093 702 GLN 46 OE1 -0.0003 0.0035 -0.0100 703 GLN 46 NE2 -0.0026 0.0019 -0.0092 704 GLN 46 H -0.0001 -0.0029 -0.0073 705 GLN 46 HA 0.0017 0.0004 -0.0088 706 GLN 46 HB3 0.0024 0.0008 -0.0090 707 GLN 46 HB2 0.0016 -0.0014 -0.0080 708 GLN 46 HG3 -0.0010 0.0008 -0.0088 709 GLN 46 HG2 -0.0018 -0.0006 -0.0082 710 GLN 46 HE22 -0.0030 0.0030 -0.0096 711 GLN 46 HE21 -0.0033 0.0008 -0.0087 712 CYS 47 N 0.0051 -0.0005 -0.0108 713 CYS 47 CA 0.0062 -0.0006 -0.0105 714 CYS 47 C 0.0067 0.0003 -0.0108 715 CYS 47 O 0.0070 0.0011 -0.0110 716 CYS 47 CB 0.0068 -0.0007 -0.0104 717 CYS 47 SG 0.0065 -0.0019 -0.0100 718 CYS 47 H 0.0048 0.0002 -0.0110 719 CYS 47 HA 0.0063 -0.0013 -0.0102 720 CYS 47 HB3 0.0077 -0.0006 -0.0103 721 CYS 47 HB2 0.0066 -0.0000 -0.0106 722 GLU 48 N 0.0067 0.0002 -0.0107 723 GLU 48 CA 0.0071 0.0010 -0.0110 724 GLU 48 C 0.0081 0.0007 -0.0107 725 GLU 48 O 0.0083 -0.0002 -0.0103 726 GLU 48 CB 0.0062 0.0013 -0.0112 727 GLU 48 CG 0.0052 0.0018 -0.0116 728 GLU 48 CD 0.0042 0.0016 -0.0117 729 GLU 48 OE1 0.0043 0.0012 -0.0115 730 GLU 48 OE2 0.0033 0.0018 -0.0119 731 GLU 48 H 0.0063 -0.0005 -0.0105 732 GLU 48 HA 0.0073 0.0017 -0.0112 733 GLU 48 HB3 0.0066 0.0018 -0.0113 734 GLU 48 HB2 0.0059 0.0006 -0.0110 735 GLU 48 HG3 0.0050 0.0016 -0.0115 736 GLU 48 HG2 0.0054 0.0027 -0.0118 737 TYR 49 N 0.0085 0.0013 -0.0108 738 TYR 49 CA 0.0084 0.0018 -0.0105 739 TYR 49 C 0.0079 0.0018 -0.0099 740 TYR 49 O 0.0076 0.0014 -0.0097 741 TYR 49 CB 0.0088 0.0024 -0.0106 742 TYR 49 CG 0.0089 0.0030 -0.0103 743 TYR 49 CD1 0.0089 0.0030 -0.0103 744 TYR 49 CD2 0.0089 0.0036 -0.0101 745 TYR 49 CE1 0.0089 0.0036 -0.0101 746 TYR 49 CE2 0.0089 0.0041 -0.0098 747 TYR 49 CZ 0.0089 0.0041 -0.0098 748 TYR 49 OH 0.0089 0.0047 -0.0096 749 TYR 49 H 0.0085 0.0009 -0.0110 750 TYR 49 HA 0.0084 0.0017 -0.0105 751 TYR 49 HB3 0.0088 0.0025 -0.0106 752 TYR 49 HB2 0.0092 0.0023 -0.0110 753 TYR 49 HD1 0.0089 0.0026 -0.0105 754 TYR 49 HD2 0.0089 0.0036 -0.0101 755 TYR 49 HE1 0.0089 0.0036 -0.0101 756 TYR 49 HE2 0.0089 0.0045 -0.0096 757 TYR 49 HH 0.0089 0.0046 -0.0096 758 MET 50 N 0.0079 0.0024 -0.0096 759 MET 50 CA 0.0075 0.0025 -0.0091 760 MET 50 C 0.0076 0.0027 -0.0091 761 MET 50 O 0.0073 0.0029 -0.0086 762 MET 50 CB 0.0075 0.0031 -0.0087 763 MET 50 CG 0.0074 0.0030 -0.0087 764 MET 50 SD 0.0074 0.0037 -0.0083 765 MET 50 CE 0.0068 0.0037 -0.0077 766 MET 50 H 0.0083 0.0028 -0.0098 767 MET 50 HA 0.0072 0.0021 -0.0090 768 MET 50 HB3 0.0071 0.0032 -0.0083 769 MET 50 HB2 0.0077 0.0035 -0.0088 770 MET 50 HG3 0.0077 0.0029 -0.0091 771 MET 50 HG2 0.0071 0.0026 -0.0086 772 MET 50 HE1 0.0067 0.0041 -0.0074 773 MET 50 HE2 0.0068 0.0037 -0.0077 774 MET 50 HE3 0.0065 0.0032 -0.0076 775 PHE 51 N 0.0095 -0.0013 -0.0091 776 PHE 51 CA 0.0086 -0.0028 -0.0088 777 PHE 51 C 0.0086 -0.0036 -0.0085 778 PHE 51 O 0.0086 -0.0028 -0.0088 779 PHE 51 CB 0.0068 -0.0026 -0.0092 780 PHE 51 CG 0.0066 -0.0020 -0.0094 781 PHE 51 CD1 0.0074 -0.0026 -0.0091 782 PHE 51 CD2 0.0056 -0.0007 -0.0101 783 PHE 51 CE1 0.0072 -0.0020 -0.0093 784 PHE 51 CE2 0.0054 -0.0002 -0.0103 785 PHE 51 CZ 0.0062 -0.0008 -0.0099 786 PHE 51 H 0.0089 -0.0004 -0.0096 787 PHE 51 HA 0.0091 -0.0036 -0.0084 788 PHE 51 HB3 0.0061 -0.0037 -0.0089 789 PHE 51 HB2 0.0063 -0.0018 -0.0096 790 PHE 51 HD1 0.0082 -0.0036 -0.0086 791 PHE 51 HD2 0.0050 -0.0002 -0.0104 792 PHE 51 HE1 0.0078 -0.0025 -0.0090 793 PHE 51 HE2 0.0046 0.0008 -0.0108 794 PHE 51 HZ 0.0061 -0.0003 -0.0101 795 MET 52 N 0.0087 -0.0052 -0.0079 796 MET 52 CA 0.0086 -0.0061 -0.0076 797 MET 52 C 0.0098 -0.0056 -0.0075 798 MET 52 O 0.0095 -0.0058 -0.0075 799 MET 52 CB 0.0069 -0.0060 -0.0080 800 MET 52 CG 0.0054 -0.0062 -0.0082 801 MET 52 SD 0.0053 -0.0080 -0.0075 802 MET 52 CE 0.0046 -0.0093 -0.0072 803 MET 52 H 0.0089 -0.0057 -0.0077 804 MET 52 HA 0.0087 -0.0073 -0.0071 805 MET 52 HB3 0.0067 -0.0069 -0.0077 806 MET 52 HB2 0.0068 -0.0049 -0.0084 807 MET 52 HG3 0.0043 -0.0060 -0.0084 808 MET 52 HG2 0.0056 -0.0052 -0.0085 809 MET 52 HE1 0.0044 -0.0105 -0.0068 810 MET 52 HE2 0.0034 -0.0089 -0.0076 811 MET 52 HE3 0.0054 -0.0092 -0.0071 812 GLN 53 N 0.0076 -0.0007 -0.0118 813 GLN 53 CA 0.0081 -0.0008 -0.0108 814 GLN 53 C 0.0083 -0.0010 -0.0106 815 GLN 53 O 0.0079 -0.0006 -0.0109 816 GLN 53 CB 0.0078 -0.0000 -0.0101 817 GLN 53 CG 0.0077 0.0001 -0.0101 818 GLN 53 CD 0.0075 0.0009 -0.0094 819 GLN 53 OE1 0.0075 0.0012 -0.0086 820 GLN 53 NE2 0.0072 0.0012 -0.0095 821 GLN 53 H 0.0071 -0.0001 -0.0120 822 GLN 53 HA 0.0085 -0.0014 -0.0107 823 GLN 53 HB3 0.0081 -0.0000 -0.0093 824 GLN 53 HB2 0.0073 0.0006 -0.0102 825 GLN 53 HG3 0.0074 0.0001 -0.0108 826 GLN 53 HG2 0.0082 -0.0005 -0.0099 827 GLN 53 HE22 0.0070 0.0017 -0.0091 828 GLN 53 HE21 0.0071 0.0009 -0.0101 829 LYS 54 N 0.0089 -0.0016 -0.0101 830 LYS 54 CA 0.0092 -0.0019 -0.0099 831 LYS 54 C 0.0094 -0.0015 -0.0089 832 LYS 54 O 0.0092 -0.0012 -0.0087 833 LYS 54 CB 0.0099 -0.0029 -0.0101 834 LYS 54 CG 0.0103 -0.0033 -0.0097 835 LYS 54 CD 0.0109 -0.0043 -0.0100 836 LYS 54 CE 0.0113 -0.0047 -0.0098 837 LYS 54 NZ 0.0120 -0.0057 -0.0098 838 LYS 54 H 0.0092 -0.0018 -0.0098 839 LYS 54 HA 0.0089 -0.0017 -0.0104 840 LYS 54 HB3 0.0101 -0.0031 -0.0098 841 LYS 54 HB2 0.0097 -0.0031 -0.0109 842 LYS 54 HG3 0.0101 -0.0031 -0.0101 843 LYS 54 HG2 0.0105 -0.0031 -0.0089 844 LYS 54 HD3 0.0112 -0.0044 -0.0095 845 LYS 54 HD2 0.0108 -0.0045 -0.0107 846 LYS 54 HE3 0.0111 -0.0047 -0.0104 847 LYS 54 HE2 0.0114 -0.0044 -0.0091 848 LYS 54 HZ1 0.0120 -0.0059 -0.0103 849 LYS 54 HZ2 0.0123 -0.0057 -0.0091 850 LYS 54 HZ3 0.0122 -0.0060 -0.0099 851 TYR 55 N 0.0079 0.0031 -0.0127 852 TYR 55 CA 0.0071 0.0030 -0.0108 853 TYR 55 C 0.0064 0.0035 -0.0100 854 TYR 55 O 0.0069 0.0031 -0.0105 855 TYR 55 CB 0.0078 0.0013 -0.0098 856 TYR 55 CG 0.0083 0.0008 -0.0102 857 TYR 55 CD1 0.0076 0.0019 -0.0102 858 TYR 55 CD2 0.0095 -0.0006 -0.0106 859 TYR 55 CE1 0.0080 0.0015 -0.0106 860 TYR 55 CE2 0.0099 -0.0011 -0.0110 861 TYR 55 CZ 0.0092 -0.0000 -0.0110 862 TYR 55 OH 0.0097 -0.0004 -0.0114 863 TYR 55 H 0.0086 0.0022 -0.0131 864 TYR 55 HA 0.0064 0.0038 -0.0106 865 TYR 55 HB3 0.0072 0.0012 -0.0084 866 TYR 55 HB2 0.0085 0.0004 -0.0101 867 TYR 55 HD1 0.0066 0.0031 -0.0099 868 TYR 55 HD2 0.0101 -0.0015 -0.0107 869 TYR 55 HE1 0.0075 0.0023 -0.0106 870 TYR 55 HE2 0.0109 -0.0022 -0.0113 871 TYR 55 HH 0.0090 0.0003 -0.0110 872 PRO 56 N 0.0052 0.0045 -0.0089 873 PRO 56 CA 0.0044 0.0051 -0.0081 874 PRO 56 C 0.0048 0.0038 -0.0069 875 PRO 56 O 0.0044 0.0041 -0.0066 876 PRO 56 CB 0.0032 0.0061 -0.0069 877 PRO 56 CG 0.0035 0.0055 -0.0066 878 PRO 56 CD 0.0046 0.0049 -0.0082 879 PRO 56 HA 0.0043 0.0059 -0.0091 880 PRO 56 HB3 0.0027 0.0074 -0.0077 881 PRO 56 HB2 0.0027 0.0060 -0.0057 882 PRO 56 HG3 0.0027 0.0064 -0.0064 883 PRO 56 HG2 0.0036 0.0044 -0.0055 884 PRO 56 HD2 0.0051 0.0039 -0.0078 885 PRO 56 HD3 0.0043 0.0060 -0.0092 886 HIS 57 N 0.0048 0.0028 -0.0073 887 HIS 57 CA 0.0049 0.0018 -0.0067 888 HIS 57 C 0.0056 0.0014 -0.0070 889 HIS 57 O 0.0055 0.0009 -0.0065 890 HIS 57 CB 0.0052 0.0012 -0.0064 891 HIS 57 CG 0.0054 0.0002 -0.0058 892 HIS 57 ND1 0.0062 -0.0005 -0.0060 893 HIS 57 CD2 0.0049 -0.0003 -0.0049 894 HIS 57 CE1 0.0062 -0.0013 -0.0053 895 HIS 57 NE2 0.0054 -0.0012 -0.0046 896 HIS 57 H 0.0049 0.0029 -0.0075 897 HIS 57 HA 0.0043 0.0018 -0.0061 898 HIS 57 HB3 0.0058 0.0012 -0.0070 899 HIS 57 HB2 0.0047 0.0015 -0.0062 900 HIS 57 HD2 0.0042 0.0001 -0.0046 901 HIS 57 HE1 0.0067 -0.0020 -0.0053 902 HIS 57 HE2 0.0051 -0.0017 -0.0040 903 THR 58 N 0.0063 0.0016 -0.0079 904 THR 58 CA 0.0070 0.0013 -0.0083 905 THR 58 C 0.0066 0.0016 -0.0081 906 THR 58 O 0.0069 0.0010 -0.0079 907 THR 58 CB 0.0076 0.0017 -0.0093 908 THR 58 OG1 0.0080 0.0015 -0.0094 909 THR 58 CG2 0.0084 0.0014 -0.0097 910 THR 58 H 0.0063 0.0020 -0.0082 911 THR 58 HA 0.0074 0.0005 -0.0080 912 THR 58 HB 0.0073 0.0025 -0.0096 913 THR 58 HG1 0.0085 0.0009 -0.0094 914 THR 58 HG21 0.0088 0.0017 -0.0104 915 THR 58 HG22 0.0081 0.0016 -0.0096 916 THR 58 HG23 0.0088 0.0006 -0.0094 917 HIS 59 N 0.0055 0.0038 -0.0081 918 HIS 59 CA 0.0048 0.0042 -0.0078 919 HIS 59 C 0.0040 0.0034 -0.0065 920 HIS 59 O 0.0040 0.0031 -0.0061 921 HIS 59 CB 0.0039 0.0058 -0.0084 922 HIS 59 CG 0.0031 0.0062 -0.0081 923 HIS 59 ND1 0.0018 0.0067 -0.0074 924 HIS 59 CD2 0.0037 0.0063 -0.0087 925 HIS 59 CE1 0.0016 0.0070 -0.0075 926 HIS 59 NE2 0.0028 0.0068 -0.0083 927 HIS 59 H 0.0052 0.0045 -0.0084 928 HIS 59 HA 0.0056 0.0040 -0.0084 929 HIS 59 HB3 0.0032 0.0060 -0.0080 930 HIS 59 HB2 0.0045 0.0063 -0.0094 931 HIS 59 HD2 0.0048 0.0060 -0.0093 932 HIS 59 HE1 0.0007 0.0074 -0.0070 933 HIS 59 HE2 0.0031 0.0069 -0.0087 934 LEU 60 N 0.0034 0.0031 -0.0057 935 LEU 60 CA 0.0025 0.0024 -0.0043 936 LEU 60 C 0.0034 0.0009 -0.0037 937 LEU 60 O 0.0029 0.0004 -0.0029 938 LEU 60 CB 0.0017 0.0025 -0.0037 939 LEU 60 CG 0.0006 0.0039 -0.0040 940 LEU 60 CD1 0.0001 0.0040 -0.0036 941 LEU 60 CD2 -0.0005 0.0043 -0.0033 942 LEU 60 H 0.0035 0.0034 -0.0060 943 LEU 60 HA 0.0018 0.0029 -0.0041 944 LEU 60 HB3 0.0012 0.0018 -0.0026 945 LEU 60 HB2 0.0024 0.0021 -0.0039 946 LEU 60 HG 0.0011 0.0046 -0.0050 947 LEU 60 HD11 -0.0007 0.0051 -0.0039 948 LEU 60 HD12 0.0009 0.0038 -0.0041 949 LEU 60 HD13 -0.0004 0.0033 -0.0026 950 LEU 60 HD21 -0.0013 0.0053 -0.0036 951 LEU 60 HD22 -0.0010 0.0036 -0.0023 952 LEU 60 HD23 -0.0001 0.0043 -0.0036 953 VAL 61 N 0.0045 0.0013 -0.0053 954 VAL 61 CA 0.0051 0.0003 -0.0051 955 VAL 61 C 0.0054 0.0004 -0.0055 956 VAL 61 O 0.0054 -0.0001 -0.0051 957 VAL 61 CB 0.0059 -0.0003 -0.0055 958 VAL 61 CG1 0.0065 -0.0012 -0.0055 959 VAL 61 CG2 0.0056 -0.0006 -0.0049 960 VAL 61 H 0.0047 0.0015 -0.0057 961 VAL 61 HA 0.0047 -0.0001 -0.0043 962 VAL 61 HB 0.0061 0.0001 -0.0062 963 VAL 61 HG11 0.0070 -0.0017 -0.0057 964 VAL 61 HG12 0.0067 -0.0010 -0.0059 965 VAL 61 HG13 0.0062 -0.0017 -0.0047 966 VAL 61 HG21 0.0062 -0.0010 -0.0052 967 VAL 61 HG22 0.0053 -0.0010 -0.0042 968 VAL 61 HG23 0.0052 0.0001 -0.0050 969 GLN 62 N 0.0056 0.0011 -0.0064 970 GLN 62 CA 0.0058 0.0013 -0.0069 971 GLN 62 C 0.0052 0.0015 -0.0063 972 GLN 62 O 0.0054 0.0012 -0.0063 973 GLN 62 CB 0.0060 0.0021 -0.0079 974 GLN 62 CG 0.0068 0.0018 -0.0086 975 GLN 62 CD 0.0069 0.0027 -0.0095 976 GLN 62 OE1 0.0064 0.0033 -0.0095 977 GLN 62 NE2 0.0075 0.0027 -0.0103 978 GLN 62 H 0.0055 0.0015 -0.0067 979 GLN 62 HA 0.0064 0.0006 -0.0070 980 GLN 62 HB3 0.0060 0.0024 -0.0081 981 GLN 62 HB2 0.0055 0.0027 -0.0078 982 GLN 62 HG3 0.0068 0.0014 -0.0083 983 GLN 62 HG2 0.0073 0.0013 -0.0088 984 GLN 62 HE22 0.0076 0.0032 -0.0109 985 GLN 62 HE21 0.0079 0.0021 -0.0102 986 GLN 63 N 0.0030 0.0027 -0.0052 987 GLN 63 CA 0.0020 0.0030 -0.0044 988 GLN 63 C 0.0020 0.0020 -0.0031 989 GLN 63 O 0.0018 0.0018 -0.0025 990 GLN 63 CB 0.0009 0.0040 -0.0043 991 GLN 63 CG 0.0006 0.0051 -0.0054 992 GLN 63 CD -0.0007 0.0060 -0.0050 993 GLN 63 OE1 -0.0011 0.0061 -0.0046 994 GLN 63 NE2 -0.0012 0.0066 -0.0052 995 GLN 63 H 0.0029 0.0030 -0.0055 996 GLN 63 HA 0.0021 0.0033 -0.0048 997 GLN 63 HB3 0.0002 0.0040 -0.0034 998 GLN 63 HB2 0.0009 0.0038 -0.0041 999 GLN 63 HG3 0.0011 0.0052 -0.0061 1000 GLN 63 HG2 0.0009 0.0051 -0.0058 1001 GLN 63 HE22 -0.0021 0.0072 -0.0050 1002 GLN 63 HE21 -0.0008 0.0064 -0.0055 1003 ALA 64 N 0.0022 0.0015 -0.0025 1004 ALA 64 CA 0.0022 0.0005 -0.0013 1005 ALA 64 C 0.0032 -0.0004 -0.0013 1006 ALA 64 O 0.0031 -0.0010 -0.0004 1007 ALA 64 CB 0.0023 0.0001 -0.0009 1008 ALA 64 H 0.0023 0.0017 -0.0030 1009 ALA 64 HA 0.0014 0.0008 -0.0006 1010 ALA 64 HB1 0.0023 -0.0006 0.0001 1011 ALA 64 HB2 0.0015 0.0008 -0.0008 1012 ALA 64 HB3 0.0031 -0.0001 -0.0015 1013 ASN 65 N 0.0046 -0.0001 -0.0038 1014 ASN 65 CA 0.0050 -0.0006 -0.0040 1015 ASN 65 C 0.0051 -0.0012 -0.0034 1016 ASN 65 O 0.0052 -0.0014 -0.0032 1017 ASN 65 CB 0.0050 -0.0003 -0.0043 1018 ASN 65 CG 0.0055 -0.0007 -0.0048 1019 ASN 65 OD1 0.0055 -0.0006 -0.0050 1020 ASN 65 ND2 0.0059 -0.0013 -0.0049 1021 ASN 65 H 0.0046 0.0001 -0.0041 1022 ASN 65 HA 0.0053 -0.0008 -0.0044 1023 ASN 65 HB3 0.0047 -0.0002 -0.0039 1024 ASN 65 HB2 0.0049 0.0002 -0.0047 1025 ASN 65 HD22 0.0062 -0.0015 -0.0051 1026 ASN 65 HD21 0.0059 -0.0014 -0.0047 1027 PRO 66 N 0.0052 -0.0016 -0.0031 1028 PRO 66 CA 0.0053 -0.0022 -0.0025 1029 PRO 66 C 0.0058 -0.0028 -0.0028 1030 PRO 66 O 0.0061 -0.0028 -0.0034 1031 PRO 66 CB 0.0052 -0.0023 -0.0022 1032 PRO 66 CG 0.0053 -0.0020 -0.0028 1033 PRO 66 CD 0.0052 -0.0014 -0.0033 1034 PRO 66 HA 0.0050 -0.0020 -0.0021 1035 PRO 66 HB3 0.0048 -0.0020 -0.0018 1036 PRO 66 HB2 0.0054 -0.0028 -0.0020 1037 PRO 66 HG3 0.0051 -0.0019 -0.0026 1038 PRO 66 HG2 0.0057 -0.0024 -0.0031 1039 PRO 66 HD2 0.0055 -0.0015 -0.0038 1040 PRO 66 HD3 0.0048 -0.0010 -0.0031 1041 ARG 67 N 0.0057 -0.0017 -0.0024 1042 ARG 67 CA 0.0062 -0.0024 -0.0026 1043 ARG 67 C 0.0068 -0.0029 -0.0031 1044 ARG 67 O 0.0070 -0.0032 -0.0028 1045 ARG 67 CB 0.0064 -0.0028 -0.0016 1046 ARG 67 CG 0.0070 -0.0036 -0.0016 1047 ARG 67 CD 0.0072 -0.0036 -0.0022 1048 ARG 67 NE 0.0066 -0.0029 -0.0023 1049 ARG 67 CZ 0.0066 -0.0027 -0.0030 1050 ARG 67 NH1 0.0072 -0.0033 -0.0035 1051 ARG 67 NH2 0.0061 -0.0021 -0.0030 1052 ARG 67 H 0.0055 -0.0016 -0.0017 1053 ARG 67 HA 0.0062 -0.0021 -0.0030 1054 ARG 67 HB3 0.0062 -0.0027 -0.0011 1055 ARG 67 HB2 0.0060 -0.0024 -0.0014 1056 ARG 67 HG3 0.0073 -0.0039 -0.0019 1057 ARG 67 HG2 0.0071 -0.0039 -0.0009 1058 ARG 67 HD3 0.0074 -0.0038 -0.0029 1059 ARG 67 HD2 0.0075 -0.0041 -0.0019 1060 ARG 67 HE 0.0062 -0.0025 -0.0019 1061 ARG 67 HH12 0.0072 -0.0031 -0.0040 1062 ARG 67 HH11 0.0076 -0.0038 -0.0035 1063 ARG 67 HH22 0.0061 -0.0019 -0.0035 1064 ARG 67 HH21 0.0057 -0.0017 -0.0026 1065 GLY 68 N 0.0071 -0.0031 -0.0039 1066 GLY 68 CA 0.0077 -0.0037 -0.0045 1067 GLY 68 C 0.0076 -0.0034 -0.0052 1068 GLY 68 O 0.0080 -0.0038 -0.0057 1069 GLY 68 H 0.0070 -0.0029 -0.0042 1070 GLY 68 HA3 0.0080 -0.0042 -0.0040 1071 GLY 68 HA2 0.0080 -0.0040 -0.0048 1072 SER 69 N 0.0073 -0.0035 -0.0051 1073 SER 69 CA 0.0071 -0.0030 -0.0057 1074 SER 69 C 0.0074 -0.0027 -0.0068 1075 SER 69 O 0.0071 -0.0022 -0.0070 1076 SER 69 CB 0.0065 -0.0021 -0.0053 1077 SER 69 OG 0.0062 -0.0015 -0.0054 1078 SER 69 H 0.0070 -0.0032 -0.0048 1079 SER 69 HA 0.0074 -0.0034 -0.0057 1080 SER 69 HB3 0.0063 -0.0023 -0.0045 1081 SER 69 HB2 0.0064 -0.0018 -0.0056 1082 SER 69 HG 0.0061 -0.0017 -0.0049 1083 ALA 70 N 0.0078 -0.0031 -0.0075 1084 ALA 70 CA 0.0080 -0.0029 -0.0085 1085 ALA 70 C 0.0077 -0.0020 -0.0089 1086 ALA 70 O 0.0074 -0.0018 -0.0085 1087 ALA 70 CB 0.0087 -0.0037 -0.0090 1088 ALA 70 H 0.0080 -0.0035 -0.0072 1089 ALA 70 HA 0.0080 -0.0028 -0.0086 1090 ALA 70 HB1 0.0088 -0.0036 -0.0098 1091 ALA 70 HB2 0.0089 -0.0043 -0.0087 1092 ALA 70 HB3 0.0087 -0.0038 -0.0089 1093 GLY 71 N 0.0083 -0.0005 -0.0105 1094 GLY 71 CA 0.0083 -0.0001 -0.0105 1095 GLY 71 C 0.0083 -0.0004 -0.0104 1096 GLY 71 O 0.0083 -0.0008 -0.0104 1097 GLY 71 H 0.0083 -0.0007 -0.0108 1098 GLY 71 HA3 0.0083 0.0000 -0.0109 1099 GLY 71 HA2 0.0082 0.0002 -0.0103 1100 PRO 72 N 0.0083 -0.0000 -0.0104 1101 PRO 72 CA 0.0083 -0.0003 -0.0103 1102 PRO 72 C 0.0083 -0.0006 -0.0108 1103 PRO 72 O 0.0084 -0.0005 -0.0112 1104 PRO 72 CB 0.0082 0.0002 -0.0104 1105 PRO 72 CG 0.0082 0.0007 -0.0103 1106 PRO 72 CD 0.0082 0.0005 -0.0105 1107 PRO 72 HA 0.0082 -0.0005 -0.0100 1108 PRO 72 HB3 0.0082 0.0002 -0.0100 1109 PRO 72 HB2 0.0083 0.0003 -0.0107 1110 PRO 72 HG3 0.0081 0.0008 -0.0099 1111 PRO 72 HG2 0.0082 0.0010 -0.0105 1112 PRO 72 HD2 0.0083 0.0006 -0.0110 1113 PRO 72 HD3 0.0082 0.0007 -0.0103 1114 CYS 73 N 0.0079 -0.0015 -0.0107 1115 CYS 73 CA 0.0068 -0.0017 -0.0105 1116 CYS 73 C 0.0067 -0.0027 -0.0099 1117 CYS 73 O 0.0074 -0.0032 -0.0096 1118 CYS 73 CB 0.0064 -0.0012 -0.0107 1119 CYS 73 SG 0.0072 -0.0014 -0.0107 1120 CYS 73 H 0.0084 -0.0016 -0.0107 1121 CYS 73 HA 0.0063 -0.0015 -0.0105 1122 CYS 73 HB3 0.0064 -0.0005 -0.0111 1123 CYS 73 HB2 0.0056 -0.0013 -0.0105 1124 CYS 74 N 0.0058 -0.0030 -0.0096 1125 CYS 74 CA 0.0055 -0.0039 -0.0090 1126 CYS 74 C 0.0054 -0.0040 -0.0089 1127 CYS 74 O 0.0046 -0.0037 -0.0090 1128 CYS 74 CB 0.0046 -0.0041 -0.0087 1129 CYS 74 SG 0.0044 -0.0053 -0.0080 1130 CYS 74 H 0.0052 -0.0025 -0.0098 1131 CYS 74 HA 0.0062 -0.0043 -0.0088 1132 CYS 74 HB3 0.0039 -0.0037 -0.0089 1133 CYS 74 HB2 0.0047 -0.0039 -0.0089 1134 THR 75 N 0.0063 -0.0049 -0.0094 1135 THR 75 CA 0.0065 -0.0048 -0.0095 1136 THR 75 C 0.0068 -0.0058 -0.0091 1137 THR 75 O 0.0072 -0.0064 -0.0090 1138 THR 75 CB 0.0072 -0.0041 -0.0099 1139 THR 75 OG1 0.0072 -0.0038 -0.0100 1140 THR 75 CG2 0.0083 -0.0045 -0.0100 1141 THR 75 H 0.0068 -0.0053 -0.0093 1142 THR 75 HA 0.0058 -0.0046 -0.0094 1143 THR 75 HB 0.0071 -0.0035 -0.0102 1144 THR 75 HG1 0.0072 -0.0031 -0.0103 1145 THR 75 HG21 0.0088 -0.0040 -0.0104 1146 THR 75 HG22 0.0084 -0.0047 -0.0100 1147 THR 75 HG23 0.0085 -0.0052 -0.0098 1148 PRO 76 N 0.0067 -0.0060 -0.0090 1149 PRO 76 CA 0.0070 -0.0069 -0.0087 1150 PRO 76 C 0.0082 -0.0072 -0.0089 1151 PRO 76 O 0.0087 -0.0066 -0.0093 1152 PRO 76 CB 0.0067 -0.0069 -0.0087 1153 PRO 76 CG 0.0059 -0.0061 -0.0088 1154 PRO 76 CD 0.0061 -0.0054 -0.0091 1155 PRO 76 HA 0.0066 -0.0075 -0.0084 1156 PRO 76 HB3 0.0065 -0.0075 -0.0084 1157 PRO 76 HB2 0.0073 -0.0066 -0.0089 1158 PRO 76 HG3 0.0052 -0.0064 -0.0085 1159 PRO 76 HG2 0.0058 -0.0058 -0.0089 1160 PRO 76 HD2 0.0066 -0.0049 -0.0095 1161 PRO 76 HD3 0.0054 -0.0051 -0.0091 1162 THR 77 N 0.0084 -0.0072 -0.0098 1163 THR 77 CA 0.0102 -0.0079 -0.0102 1164 THR 77 C 0.0109 -0.0093 -0.0101 1165 THR 77 O 0.0124 -0.0099 -0.0104 1166 THR 77 CB 0.0104 -0.0087 -0.0101 1167 THR 77 OG1 0.0091 -0.0099 -0.0094 1168 THR 77 CG2 0.0101 -0.0072 -0.0103 1169 THR 77 H 0.0075 -0.0081 -0.0093 1170 THR 77 HA 0.0111 -0.0068 -0.0107 1171 THR 77 HB 0.0117 -0.0093 -0.0103 1172 THR 77 HG1 0.0080 -0.0093 -0.0092 1173 THR 77 HG21 0.0103 -0.0078 -0.0102 1174 THR 77 HG22 0.0111 -0.0062 -0.0109 1175 THR 77 HG23 0.0088 -0.0065 -0.0101 1176 LYS 78 N 0.0096 -0.0098 -0.0096 1177 LYS 78 CA 0.0101 -0.0110 -0.0094 1178 LYS 78 C 0.0088 -0.0106 -0.0091 1179 LYS 78 O 0.0072 -0.0105 -0.0086 1180 LYS 78 CB 0.0100 -0.0130 -0.0089 1181 LYS 78 CG 0.0107 -0.0143 -0.0088 1182 LYS 78 CD 0.0106 -0.0162 -0.0084 1183 LYS 78 CE 0.0111 -0.0175 -0.0082 1184 LYS 78 NZ 0.0109 -0.0194 -0.0077 1185 LYS 78 H 0.0084 -0.0094 -0.0093 1186 LYS 78 HA 0.0114 -0.0108 -0.0099 1187 LYS 78 HB3 0.0087 -0.0132 -0.0085 1188 LYS 78 HB2 0.0108 -0.0132 -0.0092 1189 LYS 78 HG3 0.0120 -0.0141 -0.0093 1190 LYS 78 HG2 0.0099 -0.0141 -0.0086 1191 LYS 78 HD3 0.0092 -0.0164 -0.0079 1192 LYS 78 HD2 0.0115 -0.0165 -0.0086 1193 LYS 78 HE3 0.0124 -0.0174 -0.0087 1194 LYS 78 HE2 0.0102 -0.0173 -0.0080 1195 LYS 78 HZ1 0.0097 -0.0196 -0.0073 1196 LYS 78 HZ2 0.0113 -0.0203 -0.0076 1197 LYS 78 HZ3 0.0117 -0.0197 -0.0079 1198 MET 79 N 0.0077 -0.0096 -0.0086 1199 MET 79 CA 0.0065 -0.0079 -0.0078 1200 MET 79 C 0.0060 -0.0072 -0.0072 1201 MET 79 O 0.0063 -0.0076 -0.0080 1202 MET 79 CB 0.0058 -0.0067 -0.0095 1203 MET 79 CG 0.0062 -0.0072 -0.0103 1204 MET 79 SD 0.0058 -0.0068 -0.0085 1205 MET 79 CE 0.0043 -0.0045 -0.0089 1206 MET 79 H 0.0079 -0.0098 -0.0098 1207 MET 79 HA 0.0064 -0.0079 -0.0065 1208 MET 79 HB3 0.0049 -0.0054 -0.0089 1209 MET 79 HB2 0.0058 -0.0066 -0.0108 1210 MET 79 HG3 0.0058 -0.0066 -0.0117 1211 MET 79 HG2 0.0071 -0.0086 -0.0105 1212 MET 79 HE1 0.0039 -0.0040 -0.0080 1213 MET 79 HE2 0.0042 -0.0043 -0.0105 1214 MET 79 HE3 0.0038 -0.0039 -0.0086 1215 SER 80 N 0.0052 -0.0061 -0.0057 1216 SER 80 CA 0.0045 -0.0052 -0.0051 1217 SER 80 C 0.0032 -0.0033 -0.0051 1218 SER 80 O 0.0028 -0.0027 -0.0049 1219 SER 80 CB 0.0048 -0.0058 -0.0029 1220 SER 80 OG 0.0059 -0.0073 -0.0030 1221 SER 80 H 0.0050 -0.0059 -0.0049 1222 SER 80 HA 0.0048 -0.0055 -0.0061 1223 SER 80 HB3 0.0041 -0.0048 -0.0023 1224 SER 80 HB2 0.0049 -0.0059 -0.0019 1225 SER 80 HG 0.0065 -0.0083 -0.0031 1226 PRO 81 N 0.0000 0.0013 -0.0031 1227 PRO 81 CA -0.0018 0.0028 -0.0031 1228 PRO 81 C -0.0016 0.0040 -0.0008 1229 PRO 81 O -0.0002 0.0038 0.0008 1230 PRO 81 CB -0.0035 0.0037 -0.0038 1231 PRO 81 CG -0.0024 0.0033 -0.0029 1232 PRO 81 CD -0.0002 0.0016 -0.0030 1233 PRO 81 HA -0.0021 0.0023 -0.0043 1234 PRO 81 HB3 -0.0041 0.0030 -0.0056 1235 PRO 81 HB2 -0.0047 0.0050 -0.0029 1236 PRO 81 HG3 -0.0032 0.0032 -0.0040 1237 PRO 81 HG2 -0.0024 0.0043 -0.0012 1238 PRO 81 HD2 0.0008 0.0017 -0.0015 1239 PRO 81 HD3 -0.0001 0.0006 -0.0045 1240 ILE 82 N -0.0031 0.0052 -0.0006 1241 ILE 82 CA -0.0034 0.0067 0.0015 1242 ILE 82 C -0.0057 0.0082 0.0012 1243 ILE 82 O -0.0070 0.0081 -0.0007 1244 ILE 82 CB -0.0028 0.0067 0.0024 1245 ILE 82 CG1 -0.0038 0.0065 0.0006 1246 ILE 82 CG2 -0.0004 0.0053 0.0030 1247 ILE 82 CD1 -0.0037 0.0069 0.0016 1248 ILE 82 H -0.0039 0.0050 -0.0020 1249 ILE 82 HA -0.0026 0.0067 0.0027 1250 ILE 82 HB -0.0032 0.0079 0.0039 1251 ILE 82 HG13 -0.0055 0.0073 -0.0001 1252 ILE 82 HG12 -0.0032 0.0052 -0.0007 1253 ILE 82 HG21 -0.0000 0.0053 0.0036 1254 ILE 82 HG22 0.0003 0.0055 0.0043 1255 ILE 82 HG23 0.0001 0.0041 0.0015 1256 ILE 82 HD11 -0.0045 0.0068 0.0003 1257 ILE 82 HD12 -0.0044 0.0083 0.0029 1258 ILE 82 HD13 -0.0021 0.0061 0.0022 1259 ASN 83 N -0.0075 0.0140 0.0044 1260 ASN 83 CA -0.0093 0.0153 0.0044 1261 ASN 83 C -0.0092 0.0155 0.0045 1262 ASN 83 O -0.0078 0.0155 0.0054 1263 ASN 83 CB -0.0095 0.0170 0.0056 1264 ASN 83 CG -0.0096 0.0169 0.0055 1265 ASN 83 OD1 -0.0109 0.0165 0.0044 1266 ASN 83 ND2 -0.0083 0.0173 0.0065 1267 ASN 83 H -0.0065 0.0144 0.0053 1268 ASN 83 HA -0.0105 0.0149 0.0033 1269 ASN 83 HB3 -0.0108 0.0180 0.0056 1270 ASN 83 HB2 -0.0083 0.0175 0.0067 1271 ASN 83 HD22 -0.0083 0.0172 0.0065 1272 ASN 83 HD21 -0.0072 0.0176 0.0074 1273 MET 84 N -0.0108 0.0156 0.0037 1274 MET 84 CA -0.0109 0.0157 0.0037 1275 MET 84 C -0.0127 0.0170 0.0038 1276 MET 84 O -0.0142 0.0174 0.0032 1277 MET 84 CB -0.0108 0.0139 0.0024 1278 MET 84 CG -0.0090 0.0125 0.0023 1279 MET 84 SD -0.0088 0.0105 0.0008 1280 MET 84 CE -0.0081 0.0110 0.0016 1281 MET 84 H -0.0120 0.0156 0.0030 1282 MET 84 HA -0.0097 0.0160 0.0047 1283 MET 84 HB3 -0.0109 0.0141 0.0024 1284 MET 84 HB2 -0.0120 0.0136 0.0014 1285 MET 84 HG3 -0.0089 0.0123 0.0022 1286 MET 84 HG2 -0.0078 0.0129 0.0033 1287 MET 84 HE1 -0.0079 0.0099 0.0008 1288 MET 84 HE2 -0.0092 0.0121 0.0018 1289 MET 84 HE3 -0.0068 0.0113 0.0026 1290 LEU 85 N -0.0124 0.0174 0.0015 1291 LEU 85 CA -0.0105 0.0164 0.0014 1292 LEU 85 C -0.0090 0.0150 0.0029 1293 LEU 85 O -0.0084 0.0149 0.0025 1294 LEU 85 CB -0.0094 0.0168 -0.0011 1295 LEU 85 CG -0.0078 0.0162 -0.0017 1296 LEU 85 CD1 -0.0090 0.0167 -0.0012 1297 LEU 85 CD2 -0.0065 0.0165 -0.0042 1298 LEU 85 H -0.0122 0.0176 0.0008 1299 LEU 85 HA -0.0110 0.0164 0.0021 1300 LEU 85 HB3 -0.0085 0.0166 -0.0018 1301 LEU 85 HB2 -0.0106 0.0179 -0.0023 1302 LEU 85 HG -0.0066 0.0151 -0.0005 1303 LEU 85 HD11 -0.0079 0.0162 -0.0016 1304 LEU 85 HD12 -0.0099 0.0164 0.0006 1305 LEU 85 HD13 -0.0103 0.0178 -0.0024 1306 LEU 85 HD21 -0.0054 0.0161 -0.0045 1307 LEU 85 HD22 -0.0077 0.0176 -0.0054 1308 LEU 85 HD23 -0.0056 0.0161 -0.0044 1309 TYR 86 N -0.0084 0.0140 0.0046 1310 TYR 86 CA -0.0073 0.0128 0.0063 1311 TYR 86 C -0.0059 0.0116 0.0074 1312 TYR 86 O -0.0062 0.0118 0.0072 1313 TYR 86 CB -0.0090 0.0129 0.0082 1314 TYR 86 CG -0.0106 0.0132 0.0096 1315 TYR 86 CD1 -0.0126 0.0145 0.0088 1316 TYR 86 CD2 -0.0102 0.0122 0.0116 1317 TYR 86 CE1 -0.0141 0.0148 0.0101 1318 TYR 86 CE2 -0.0117 0.0124 0.0129 1319 TYR 86 CZ -0.0136 0.0138 0.0121 1320 TYR 86 OH -0.0151 0.0141 0.0133 1321 TYR 86 H -0.0088 0.0142 0.0048 1322 TYR 86 HA -0.0062 0.0125 0.0054 1323 TYR 86 HB3 -0.0099 0.0137 0.0074 1324 TYR 86 HB2 -0.0081 0.0119 0.0094 1325 TYR 86 HD1 -0.0130 0.0154 0.0073 1326 TYR 86 HD2 -0.0087 0.0111 0.0122 1327 TYR 86 HE1 -0.0156 0.0159 0.0094 1328 TYR 86 HE2 -0.0113 0.0116 0.0144 1329 TYR 86 HH -0.0163 0.0150 0.0125 1330 PHE 87 N -0.0043 0.0095 0.0111 1331 PHE 87 CA -0.0013 0.0059 0.0147 1332 PHE 87 C -0.0026 0.0070 0.0206 1333 PHE 87 O -0.0041 0.0086 0.0220 1334 PHE 87 CB 0.0018 0.0024 0.0133 1335 PHE 87 CG 0.0038 0.0005 0.0079 1336 PHE 87 CD1 0.0064 -0.0023 0.0076 1337 PHE 87 CD2 0.0033 0.0015 0.0033 1338 PHE 87 CE1 0.0082 -0.0041 0.0028 1339 PHE 87 CE2 0.0051 -0.0003 -0.0016 1340 PHE 87 CZ 0.0076 -0.0031 -0.0019 1341 PHE 87 H -0.0046 0.0100 0.0096 1342 PHE 87 HA -0.0004 0.0049 0.0144 1343 PHE 87 HB3 0.0037 0.0001 0.0165 1344 PHE 87 HB2 0.0009 0.0035 0.0131 1345 PHE 87 HD1 0.0069 -0.0031 0.0112 1346 PHE 87 HD2 0.0013 0.0037 0.0034 1347 PHE 87 HE1 0.0102 -0.0063 0.0026 1348 PHE 87 HE2 0.0046 0.0005 -0.0052 1349 PHE 87 HZ 0.0090 -0.0044 -0.0057 1350 ASN 88 N -0.0021 0.0061 0.0242 1351 ASN 88 CA -0.0029 0.0067 0.0300 1352 ASN 88 C 0.0002 0.0030 0.0327 1353 ASN 88 O 0.0029 0.0002 0.0299 1354 ASN 88 CB -0.0038 0.0075 0.0329 1355 ASN 88 CG -0.0006 0.0039 0.0328 1356 ASN 88 OD1 0.0025 0.0005 0.0311 1357 ASN 88 ND2 -0.0013 0.0046 0.0345 1358 ASN 88 H -0.0011 0.0051 0.0229 1359 ASN 88 HA -0.0053 0.0093 0.0305 1360 ASN 88 HB3 -0.0061 0.0102 0.0311 1361 ASN 88 HB2 -0.0046 0.0082 0.0372 1362 ASN 88 HD22 0.0007 0.0024 0.0346 1363 ASN 88 HD21 -0.0039 0.0074 0.0359 1364 ASP 89 N 0.0025 0.0067 0.0467 1365 ASP 89 CA 0.0067 0.0010 0.0515 1366 ASP 89 C 0.0125 -0.0070 0.0502 1367 ASP 89 O 0.0163 -0.0123 0.0501 1368 ASP 89 CB 0.0054 0.0029 0.0618 1369 ASP 89 CG 0.0049 0.0037 0.0662 1370 ASP 89 OD1 0.0036 0.0054 0.0611 1371 ASP 89 OD2 0.0058 0.0025 0.0747 1372 ASP 89 H -0.0006 0.0111 0.0504 1373 ASP 89 HA 0.0065 0.0012 0.0488 1374 ASP 89 HB3 0.0016 0.0081 0.0629 1375 ASP 89 HB2 0.0086 -0.0014 0.0655 1376 LYS 90 N 0.0131 -0.0078 0.0493 1377 LYS 90 CA 0.0184 -0.0152 0.0476 1378 LYS 90 C 0.0197 -0.0172 0.0374 1379 LYS 90 O 0.0239 -0.0229 0.0348 1380 LYS 90 CB 0.0186 -0.0155 0.0516 1381 LYS 90 CG 0.0180 -0.0144 0.0619 1382 LYS 90 CD 0.0158 -0.0113 0.0644 1383 LYS 90 CE 0.0165 -0.0122 0.0746 1384 LYS 90 NZ 0.0162 -0.0117 0.0762 1385 LYS 90 H 0.0098 -0.0033 0.0497 1386 LYS 90 HA 0.0215 -0.0194 0.0512 1387 LYS 90 HB3 0.0225 -0.0208 0.0496 1388 LYS 90 HB2 0.0156 -0.0113 0.0482 1389 LYS 90 HG3 0.0152 -0.0105 0.0642 1390 LYS 90 HG2 0.0220 -0.0198 0.0653 1391 LYS 90 HD3 0.0178 -0.0141 0.0604 1392 LYS 90 HD2 0.0114 -0.0054 0.0626 1393 LYS 90 HE3 0.0134 -0.0078 0.0785 1394 LYS 90 HE2 0.0205 -0.0176 0.0769 1395 LYS 90 HZ1 0.0191 -0.0157 0.0726 1396 LYS 90 HZ2 0.0167 -0.0122 0.0830 1397 LYS 90 HZ3 0.0125 -0.0066 0.0741 1398 GLN 91 N 0.0137 -0.0093 0.0324 1399 GLN 91 CA 0.0144 -0.0099 0.0240 1400 GLN 91 C 0.0141 -0.0097 0.0193 1401 GLN 91 O 0.0167 -0.0122 0.0132 1402 GLN 91 CB 0.0199 -0.0152 0.0224 1403 GLN 91 CG 0.0204 -0.0157 0.0268 1404 GLN 91 CD 0.0157 -0.0112 0.0249 1405 GLN 91 OE1 0.0133 -0.0089 0.0185 1406 GLN 91 NE2 0.0143 -0.0099 0.0304 1407 GLN 91 H 0.0103 -0.0060 0.0350 1408 GLN 91 HA 0.0109 -0.0066 0.0222 1409 GLN 91 HB3 0.0202 -0.0156 0.0162 1410 GLN 91 HB2 0.0234 -0.0186 0.0239 1411 GLN 91 HG3 0.0244 -0.0196 0.0255 1412 GLN 91 HG2 0.0204 -0.0158 0.0331 1413 GLN 91 HE22 0.0112 -0.0069 0.0295 1414 GLN 91 HE21 0.0163 -0.0118 0.0356 1415 GLN 92 N 0.0110 -0.0067 0.0223 1416 GLN 92 CA 0.0099 -0.0056 0.0179 1417 GLN 92 C 0.0049 -0.0009 0.0124 1418 GLN 92 O 0.0012 0.0028 0.0141 1419 GLN 92 CB 0.0086 -0.0044 0.0235 1420 GLN 92 CG 0.0133 -0.0089 0.0289 1421 GLN 92 CD 0.0115 -0.0072 0.0353 1422 GLN 92 OE1 0.0069 -0.0027 0.0384 1423 GLN 92 NE2 0.0152 -0.0107 0.0374 1424 GLN 92 H 0.0094 -0.0051 0.0277 1425 GLN 92 HA 0.0136 -0.0092 0.0145 1426 GLN 92 HB3 0.0075 -0.0033 0.0200 1427 GLN 92 HB2 0.0048 -0.0008 0.0268 1428 GLN 92 HG3 0.0150 -0.0105 0.0316 1429 GLN 92 HG2 0.0168 -0.0122 0.0256 1430 GLN 92 HE22 0.0142 -0.0097 0.0416 1431 GLN 92 HE21 0.0189 -0.0143 0.0348 1432 ILE 93 N 0.0032 0.0037 0.0088 1433 ILE 93 CA 0.0008 0.0065 0.0058 1434 ILE 93 C -0.0033 0.0088 0.0071 1435 ILE 93 O -0.0040 0.0094 0.0067 1436 ILE 93 CB 0.0025 0.0072 0.0009 1437 ILE 93 CG1 0.0067 0.0049 -0.0004 1438 ILE 93 CG2 -0.0001 0.0101 -0.0020 1439 ILE 93 CD1 0.0089 0.0051 -0.0048 1440 ILE 93 H 0.0052 0.0029 0.0077 1441 ILE 93 HA 0.0007 0.0064 0.0062 1442 ILE 93 HB 0.0027 0.0072 0.0005 1443 ILE 93 HG13 0.0083 0.0028 0.0022 1444 ILE 93 HG12 0.0065 0.0051 -0.0006 1445 ILE 93 HG21 0.0011 0.0106 -0.0055 1446 ILE 93 HG22 -0.0030 0.0117 -0.0011 1447 ILE 93 HG23 -0.0004 0.0101 -0.0016 1448 ILE 93 HD11 0.0118 0.0034 -0.0055 1449 ILE 93 HD12 0.0092 0.0048 -0.0046 1450 ILE 93 HD13 0.0073 0.0072 -0.0074 1451 ILE 94 N -0.0062 0.0100 0.0087 1452 ILE 94 CA -0.0102 0.0121 0.0103 1453 ILE 94 C -0.0129 0.0150 0.0077 1454 ILE 94 O -0.0128 0.0152 0.0070 1455 ILE 94 CB -0.0116 0.0112 0.0153 1456 ILE 94 CG1 -0.0089 0.0083 0.0180 1457 ILE 94 CG2 -0.0159 0.0135 0.0169 1458 ILE 94 CD1 -0.0089 0.0084 0.0178 1459 ILE 94 H -0.0055 0.0095 0.0089 1460 ILE 94 HA -0.0103 0.0124 0.0098 1461 ILE 94 HB -0.0115 0.0109 0.0157 1462 ILE 94 HG13 -0.0098 0.0076 0.0215 1463 ILE 94 HG12 -0.0059 0.0067 0.0170 1464 ILE 94 HG21 -0.0168 0.0127 0.0204 1465 ILE 94 HG22 -0.0178 0.0154 0.0150 1466 ILE 94 HG23 -0.0161 0.0138 0.0164 1467 ILE 94 HD11 -0.0069 0.0063 0.0198 1468 ILE 94 HD12 -0.0119 0.0099 0.0190 1469 ILE 94 HD13 -0.0079 0.0090 0.0144 1470 TYR 95 N -0.0179 0.0180 0.0044 1471 TYR 95 CA -0.0171 0.0189 0.0043 1472 TYR 95 C -0.0187 0.0177 0.0044 1473 TYR 95 O -0.0209 0.0176 0.0046 1474 TYR 95 CB -0.0173 0.0217 0.0044 1475 TYR 95 CG -0.0169 0.0227 0.0044 1476 TYR 95 CD1 -0.0146 0.0233 0.0043 1477 TYR 95 CD2 -0.0189 0.0232 0.0045 1478 TYR 95 CE1 -0.0143 0.0242 0.0043 1479 TYR 95 CE2 -0.0186 0.0242 0.0045 1480 TYR 95 CZ -0.0163 0.0247 0.0044 1481 TYR 95 OH -0.0159 0.0257 0.0044 1482 TYR 95 H -0.0193 0.0188 0.0045 1483 TYR 95 HA -0.0152 0.0183 0.0042 1484 TYR 95 HB3 -0.0190 0.0223 0.0045 1485 TYR 95 HB2 -0.0159 0.0225 0.0043 1486 TYR 95 HD1 -0.0130 0.0229 0.0042 1487 TYR 95 HD2 -0.0208 0.0228 0.0047 1488 TYR 95 HE1 -0.0124 0.0247 0.0042 1489 TYR 95 HE2 -0.0202 0.0245 0.0047 1490 TYR 95 HH -0.0175 0.0259 0.0045 1491 GLY 96 N -0.0176 0.0170 0.0043 1492 GLY 96 CA -0.0190 0.0159 0.0044 1493 GLY 96 C -0.0178 0.0158 0.0043 1494 GLY 96 O -0.0156 0.0156 0.0042 1495 GLY 96 H -0.0158 0.0171 0.0042 1496 GLY 96 HA3 -0.0195 0.0140 0.0044 1497 GLY 96 HA2 -0.0208 0.0168 0.0045 1498 LYS 97 N -0.0144 0.0137 -0.0000 1499 LYS 97 CA -0.0125 0.0122 0.0002 1500 LYS 97 C -0.0123 0.0098 -0.0013 1501 LYS 97 O -0.0138 0.0090 -0.0029 1502 LYS 97 CB -0.0128 0.0123 0.0001 1503 LYS 97 CG -0.0106 0.0111 0.0006 1504 LYS 97 CD -0.0110 0.0115 0.0007 1505 LYS 97 CE -0.0098 0.0132 0.0027 1506 LYS 97 NZ -0.0106 0.0154 0.0037 1507 LYS 97 H -0.0160 0.0141 -0.0008 1508 LYS 97 HA -0.0110 0.0126 0.0015 1509 LYS 97 HB3 -0.0142 0.0117 -0.0012 1510 LYS 97 HB2 -0.0133 0.0141 0.0010 1511 LYS 97 HG3 -0.0092 0.0116 0.0019 1512 LYS 97 HG2 -0.0102 0.0092 -0.0003 1513 LYS 97 HD3 -0.0103 0.0099 0.0001 1514 LYS 97 HD2 -0.0128 0.0122 -0.0000 1515 LYS 97 HE3 -0.0079 0.0124 0.0034 1516 LYS 97 HE2 -0.0100 0.0134 0.0027 1517 LYS 97 HZ1 -0.0099 0.0153 0.0041 1518 LYS 97 HZ2 -0.0123 0.0159 0.0028 1519 LYS 97 HZ3 -0.0102 0.0166 0.0047 1520 ILE 98 N -0.0104 0.0087 -0.0008 1521 ILE 98 CA -0.0101 0.0066 -0.0021 1522 ILE 98 C -0.0085 0.0046 -0.0024 1523 ILE 98 O -0.0064 0.0043 -0.0012 1524 ILE 98 CB -0.0092 0.0065 -0.0016 1525 ILE 98 CG1 -0.0107 0.0086 -0.0011 1526 ILE 98 CG2 -0.0092 0.0043 -0.0030 1527 ILE 98 CD1 -0.0132 0.0087 -0.0027 1528 ILE 98 H -0.0092 0.0095 0.0005 1529 ILE 98 HA -0.0118 0.0063 -0.0034 1530 ILE 98 HB -0.0075 0.0066 -0.0004 1531 ILE 98 HG13 -0.0099 0.0086 -0.0006 1532 ILE 98 HG12 -0.0106 0.0101 0.0000 1533 ILE 98 HG21 -0.0085 0.0043 -0.0026 1534 ILE 98 HG22 -0.0080 0.0029 -0.0033 1535 ILE 98 HG23 -0.0109 0.0041 -0.0043 1536 ILE 98 HD11 -0.0140 0.0102 -0.0022 1537 ILE 98 HD12 -0.0132 0.0072 -0.0037 1538 ILE 98 HD13 -0.0140 0.0088 -0.0031 1539 PRO 99 N -0.0053 0.0028 -0.0070 1540 PRO 99 CA -0.0030 0.0011 -0.0077 1541 PRO 99 C -0.0018 -0.0000 -0.0084 1542 PRO 99 O -0.0029 0.0003 -0.0094 1543 PRO 99 CB -0.0036 0.0005 -0.0100 1544 PRO 99 CG -0.0061 0.0020 -0.0099 1545 PRO 99 CD -0.0073 0.0033 -0.0088 1546 PRO 99 HA -0.0019 0.0010 -0.0061 1547 PRO 99 HB3 -0.0024 -0.0002 -0.0097 1548 PRO 99 HB2 -0.0037 -0.0002 -0.0118 1549 PRO 99 HG3 -0.0059 0.0025 -0.0086 1550 PRO 99 HG2 -0.0070 0.0018 -0.0119 1551 PRO 99 HD2 -0.0081 0.0031 -0.0104 1552 PRO 99 HD3 -0.0085 0.0045 -0.0077 1553 GLY 100 N 0.0006 -0.0014 -0.0080 1554 GLY 100 CA 0.0020 -0.0026 -0.0090 1555 GLY 100 C 0.0019 -0.0021 -0.0077 1556 GLY 100 O 0.0019 -0.0026 -0.0090 1557 GLY 100 H 0.0015 -0.0015 -0.0070 1558 GLY 100 HA3 0.0013 -0.0031 -0.0111 1559 GLY 100 HA2 0.0038 -0.0037 -0.0088 1560 MET 101 N 0.0010 -0.0008 -0.0069 1561 MET 101 CA 0.0006 -0.0001 -0.0054 1562 MET 101 C 0.0013 -0.0012 -0.0040 1563 MET 101 O 0.0012 -0.0011 -0.0031 1564 MET 101 CB -0.0002 0.0011 -0.0047 1565 MET 101 CG -0.0010 0.0025 -0.0058 1566 MET 101 SD -0.0016 0.0034 -0.0058 1567 MET 101 CE -0.0020 0.0041 -0.0036 1568 MET 101 H 0.0012 -0.0011 -0.0068 1569 MET 101 HA 0.0003 0.0004 -0.0058 1570 MET 101 HB3 -0.0003 0.0014 -0.0034 1571 MET 101 HB2 0.0001 0.0007 -0.0045 1572 MET 101 HG3 -0.0014 0.0032 -0.0053 1573 MET 101 HG2 -0.0008 0.0022 -0.0071 1574 MET 101 HE1 -0.0024 0.0047 -0.0034 1575 MET 101 HE2 -0.0024 0.0048 -0.0034 1576 MET 101 HE3 -0.0014 0.0032 -0.0027 1577 VAL 102 N 0.0020 -0.0024 -0.0039 1578 VAL 102 CA 0.0027 -0.0035 -0.0026 1579 VAL 102 C 0.0036 -0.0050 -0.0034 1580 VAL 102 O 0.0038 -0.0054 -0.0046 1581 VAL 102 CB 0.0027 -0.0036 -0.0014 1582 VAL 102 CG1 0.0035 -0.0048 -0.0001 1583 VAL 102 CG2 0.0019 -0.0022 -0.0005 1584 VAL 102 H 0.0020 -0.0024 -0.0047 1585 VAL 102 HA 0.0025 -0.0032 -0.0017 1586 VAL 102 HB 0.0029 -0.0038 -0.0023 1587 VAL 102 HG11 0.0035 -0.0049 0.0006 1588 VAL 102 HG12 0.0041 -0.0059 -0.0008 1589 VAL 102 HG13 0.0034 -0.0046 0.0007 1590 VAL 102 HG21 0.0019 -0.0023 0.0003 1591 VAL 102 HG22 0.0017 -0.0019 0.0003 1592 VAL 102 HG23 0.0013 -0.0013 -0.0015 1593 VAL 103 N 0.0035 -0.0070 -0.0045 1594 VAL 103 CA 0.0043 -0.0080 -0.0049 1595 VAL 103 C 0.0045 -0.0095 -0.0041 1596 VAL 103 O 0.0038 -0.0099 -0.0029 1597 VAL 103 CB 0.0039 -0.0075 -0.0047 1598 VAL 103 CG1 0.0047 -0.0087 -0.0049 1599 VAL 103 CG2 0.0039 -0.0060 -0.0057 1600 VAL 103 H 0.0027 -0.0066 -0.0038 1601 VAL 103 HA 0.0051 -0.0079 -0.0059 1602 VAL 103 HB 0.0031 -0.0074 -0.0037 1603 VAL 103 HG11 0.0044 -0.0083 -0.0047 1604 VAL 103 HG12 0.0047 -0.0097 -0.0041 1605 VAL 103 HG13 0.0055 -0.0088 -0.0058 1606 VAL 103 HG21 0.0036 -0.0057 -0.0055 1607 VAL 103 HG22 0.0047 -0.0061 -0.0067 1608 VAL 103 HG23 0.0033 -0.0052 -0.0055 1609 ASP 104 N 0.0056 -0.0105 -0.0047 1610 ASP 104 CA 0.0059 -0.0120 -0.0041 1611 ASP 104 C 0.0063 -0.0129 -0.0040 1612 ASP 104 O 0.0062 -0.0140 -0.0030 1613 ASP 104 CB 0.0068 -0.0127 -0.0048 1614 ASP 104 CG 0.0065 -0.0119 -0.0049 1615 ASP 104 OD1 0.0055 -0.0114 -0.0040 1616 ASP 104 OD2 0.0072 -0.0118 -0.0059 1617 ASP 104 H 0.0062 -0.0101 -0.0057 1618 ASP 104 HA 0.0052 -0.0122 -0.0031 1619 ASP 104 HB3 0.0071 -0.0138 -0.0043 1620 ASP 104 HB2 0.0076 -0.0126 -0.0058 1621 ARG 105 N 0.0062 -0.0124 -0.0065 1622 ARG 105 CA 0.0062 -0.0128 -0.0065 1623 ARG 105 C 0.0061 -0.0114 -0.0066 1624 ARG 105 O 0.0068 -0.0103 -0.0070 1625 ARG 105 CB 0.0073 -0.0138 -0.0071 1626 ARG 105 CG 0.0073 -0.0145 -0.0071 1627 ARG 105 CD 0.0085 -0.0155 -0.0077 1628 ARG 105 NE 0.0088 -0.0166 -0.0078 1629 ARG 105 CZ 0.0099 -0.0171 -0.0085 1630 ARG 105 NH1 0.0109 -0.0167 -0.0091 1631 ARG 105 NH2 0.0100 -0.0181 -0.0084 1632 ARG 105 H 0.0066 -0.0115 -0.0068 1633 ARG 105 HA 0.0053 -0.0134 -0.0059 1634 ARG 105 HB3 0.0082 -0.0132 -0.0077 1635 ARG 105 HB2 0.0074 -0.0147 -0.0071 1636 ARG 105 HG3 0.0065 -0.0151 -0.0065 1637 ARG 105 HG2 0.0073 -0.0136 -0.0071 1638 ARG 105 HD3 0.0085 -0.0161 -0.0076 1639 ARG 105 HD2 0.0094 -0.0148 -0.0083 1640 ARG 105 HE 0.0080 -0.0169 -0.0073 1641 ARG 105 HH12 0.0118 -0.0171 -0.0096 1642 ARG 105 HH11 0.0109 -0.0159 -0.0092 1643 ARG 105 HH22 0.0109 -0.0185 -0.0090 1644 ARG 105 HH21 0.0092 -0.0184 -0.0079 1645 CYS 106 N 0.0054 -0.0114 -0.0061 1646 CYS 106 CA 0.0053 -0.0101 -0.0061 1647 CYS 106 C 0.0058 -0.0106 -0.0064 1648 CYS 106 O 0.0057 -0.0119 -0.0063 1649 CYS 106 CB 0.0039 -0.0096 -0.0053 1650 CYS 106 SG 0.0032 -0.0089 -0.0049 1651 CYS 106 H 0.0049 -0.0123 -0.0057 1652 CYS 106 HA 0.0058 -0.0092 -0.0065 1653 CYS 106 HB3 0.0038 -0.0087 -0.0053 1654 CYS 106 HB2 0.0033 -0.0105 -0.0049 1655 GLY 107 N 0.0069 -0.0070 -0.0092 1656 GLY 107 CA 0.0076 -0.0063 -0.0092 1657 GLY 107 C 0.0077 -0.0049 -0.0095 1658 GLY 107 O 0.0074 -0.0045 -0.0097 1659 GLY 107 H 0.0068 -0.0066 -0.0093 1660 GLY 107 HA3 0.0086 -0.0067 -0.0089 1661 GLY 107 HA2 0.0072 -0.0065 -0.0092 1662 CYS 108 N 0.0082 -0.0042 -0.0096 1663 CYS 108 CA 0.0084 -0.0029 -0.0099 1664 CYS 108 C 0.0097 -0.0025 -0.0097 1665 CYS 108 O 0.0106 -0.0027 -0.0095 1666 CYS 108 CB 0.0081 -0.0022 -0.0101 1667 CYS 108 SG 0.0064 -0.0025 -0.0104 1668 CYS 108 H 0.0086 -0.0046 -0.0094 1669 CYS 108 HA 0.0077 -0.0026 -0.0101 1670 CYS 108 HB3 0.0083 -0.0012 -0.0103 1671 CYS 108 HB2 0.0087 -0.0026 -0.0099 1672 SER 109 N 0.0093 -0.0021 -0.0105 1673 SER 109 CA 0.0097 -0.0020 -0.0101 1674 SER 109 C 0.0098 -0.0015 -0.0100 1675 SER 109 O 0.0095 -0.0014 -0.0102 1676 SER 109 CB 0.0100 -0.0025 -0.0100 1677 SER 109 OG 0.0099 -0.0030 -0.0101 1678 SER 109 OXT 0.0100 -0.0011 -0.0098 1679 SER 109 H 0.0090 -0.0022 -0.0106 1680 SER 109 HA 0.0099 -0.0019 -0.0100 1681 SER 109 HB3 0.0103 -0.0024 -0.0097 1682 SER 109 HB2 0.0098 -0.0026 -0.0101 1683 SER 109 HG 0.0096 -0.0031 -0.0103 1684 ASN 1 N 0.0137 -0.0056 -0.0045 1685 ASN 1 CA 0.0145 -0.0058 -0.0047 1686 ASN 1 C 0.0145 -0.0059 -0.0050 1687 ASN 1 O 0.0149 -0.0058 -0.0047 1688 ASN 1 CB 0.0149 -0.0062 -0.0053 1689 ASN 1 CG 0.0158 -0.0064 -0.0055 1690 ASN 1 OD1 0.0165 -0.0063 -0.0051 1691 ASN 1 ND2 0.0159 -0.0067 -0.0060 1692 ASN 1 H1 0.0138 -0.0056 -0.0044 1693 ASN 1 H2 0.0135 -0.0054 -0.0041 1694 ASN 1 HA 0.0150 -0.0056 -0.0042 1695 ASN 1 HB3 0.0145 -0.0064 -0.0058 1696 ASN 1 HB2 0.0150 -0.0061 -0.0051 1697 ASN 1 HD22 0.0165 -0.0068 -0.0062 1698 ASN 1 HD21 0.0154 -0.0068 -0.0063 1699 LEU 2 N 0.0139 -0.0062 -0.0055 1700 LEU 2 CA 0.0137 -0.0063 -0.0058 1701 LEU 2 C 0.0130 -0.0060 -0.0053 1702 LEU 2 O 0.0127 -0.0060 -0.0054 1703 LEU 2 CB 0.0134 -0.0067 -0.0066 1704 LEU 2 CG 0.0141 -0.0071 -0.0071 1705 LEU 2 CD1 0.0138 -0.0074 -0.0079 1706 LEU 2 CD2 0.0145 -0.0071 -0.0072 1707 LEU 2 H 0.0136 -0.0063 -0.0058 1708 LEU 2 HA 0.0143 -0.0063 -0.0057 1709 LEU 2 HB3 0.0130 -0.0067 -0.0067 1710 LEU 2 HB2 0.0130 -0.0067 -0.0067 1711 LEU 2 HG 0.0146 -0.0070 -0.0069 1712 LEU 2 HD11 0.0144 -0.0077 -0.0083 1713 LEU 2 HD12 0.0136 -0.0074 -0.0079 1714 LEU 2 HD13 0.0134 -0.0075 -0.0082 1715 LEU 2 HD21 0.0151 -0.0074 -0.0076 1716 LEU 2 HD22 0.0141 -0.0072 -0.0074 1717 LEU 2 HD23 0.0148 -0.0069 -0.0067 1718 GLY 3 N 0.0125 -0.0073 -0.0043 1719 GLY 3 CA 0.0119 -0.0065 -0.0044 1720 GLY 3 C 0.0121 -0.0062 -0.0036 1721 GLY 3 O 0.0126 -0.0063 -0.0029 1722 GLY 3 H 0.0127 -0.0072 -0.0037 1723 GLY 3 HA3 0.0116 -0.0061 -0.0045 1724 GLY 3 HA2 0.0117 -0.0067 -0.0049 1725 LEU 4 N 0.0118 -0.0057 -0.0037 1726 LEU 4 CA 0.0119 -0.0053 -0.0030 1727 LEU 4 C 0.0115 -0.0043 -0.0027 1728 LEU 4 O 0.0109 -0.0039 -0.0032 1729 LEU 4 CB 0.0118 -0.0054 -0.0033 1730 LEU 4 CG 0.0120 -0.0052 -0.0026 1731 LEU 4 CD1 0.0127 -0.0056 -0.0020 1732 LEU 4 CD2 0.0119 -0.0053 -0.0031 1733 LEU 4 H 0.0113 -0.0056 -0.0043 1734 LEU 4 HA 0.0124 -0.0055 -0.0025 1735 LEU 4 HB3 0.0113 -0.0051 -0.0038 1736 LEU 4 HB2 0.0120 -0.0061 -0.0037 1737 LEU 4 HG 0.0118 -0.0045 -0.0023 1738 LEU 4 HD11 0.0129 -0.0054 -0.0015 1739 LEU 4 HD12 0.0128 -0.0055 -0.0016 1740 LEU 4 HD13 0.0130 -0.0063 -0.0023 1741 LEU 4 HD21 0.0120 -0.0051 -0.0026 1742 LEU 4 HD22 0.0121 -0.0060 -0.0034 1743 LEU 4 HD23 0.0114 -0.0049 -0.0035 1744 ASP 5 N 0.0125 -0.0049 -0.0011 1745 ASP 5 CA 0.0119 -0.0041 -0.0007 1746 ASP 5 C 0.0119 -0.0037 -0.0000 1747 ASP 5 O 0.0125 -0.0040 0.0005 1748 ASP 5 CB 0.0122 -0.0040 -0.0001 1749 ASP 5 CG 0.0120 -0.0042 -0.0007 1750 ASP 5 OD1 0.0115 -0.0042 -0.0015 1751 ASP 5 OD2 0.0123 -0.0043 -0.0003 1752 ASP 5 H 0.0131 -0.0052 -0.0007 1753 ASP 5 HA 0.0114 -0.0039 -0.0012 1754 ASP 5 HB3 0.0119 -0.0034 0.0004 1755 ASP 5 HB2 0.0128 -0.0044 0.0003 1756 CYS 6 N 0.0112 -0.0030 -0.0000 1757 CYS 6 CA 0.0110 -0.0026 0.0006 1758 CYS 6 C 0.0105 -0.0018 0.0011 1759 CYS 6 O 0.0100 -0.0016 0.0008 1760 CYS 6 CB 0.0107 -0.0026 0.0001 1761 CYS 6 SG 0.0113 -0.0035 -0.0006 1762 CYS 6 H 0.0107 -0.0029 -0.0005 1763 CYS 6 HA 0.0116 -0.0028 0.0011 1764 CYS 6 HB3 0.0106 -0.0022 0.0005 1765 CYS 6 HB2 0.0101 -0.0023 -0.0004 1766 ASP 7 N 0.0124 -0.0008 0.0034 1767 ASP 7 CA 0.0113 0.0016 0.0046 1768 ASP 7 C 0.0096 0.0036 0.0051 1769 ASP 7 O 0.0091 0.0030 0.0043 1770 ASP 7 CB 0.0136 0.0024 0.0066 1771 ASP 7 CG 0.0156 0.0028 0.0081 1772 ASP 7 OD1 0.0154 0.0022 0.0075 1773 ASP 7 OD2 0.0173 0.0037 0.0098 1774 ASP 7 H 0.0134 -0.0007 0.0041 1775 ASP 7 HA 0.0100 0.0013 0.0036 1776 ASP 7 HB3 0.0146 0.0011 0.0062 1777 ASP 7 HB2 0.0127 0.0042 0.0074 1778 GLU 8 N 0.0087 0.0059 0.0063 1779 GLU 8 CA 0.0070 0.0079 0.0069 1780 GLU 8 C 0.0085 0.0083 0.0081 1781 GLU 8 O 0.0073 0.0092 0.0080 1782 GLU 8 CB 0.0062 0.0104 0.0082 1783 GLU 8 CG 0.0084 0.0108 0.0099 1784 GLU 8 CD 0.0075 0.0132 0.0112 1785 GLU 8 OE1 0.0051 0.0145 0.0108 1786 GLU 8 OE2 0.0091 0.0137 0.0126 1787 GLU 8 H 0.0091 0.0062 0.0068 1788 GLU 8 HA 0.0052 0.0075 0.0055 1789 GLU 8 HB3 0.0045 0.0103 0.0072 1790 GLU 8 HB2 0.0053 0.0119 0.0089 1791 GLU 8 HG3 0.0101 0.0109 0.0110 1792 GLU 8 HG2 0.0093 0.0092 0.0092 1793 HIS 9 N 0.0120 0.0100 0.0093 1794 HIS 9 CA 0.0137 0.0101 0.0105 1795 HIS 9 C 0.0140 0.0070 0.0090 1796 HIS 9 O 0.0163 0.0060 0.0100 1797 HIS 9 CB 0.0168 0.0106 0.0129 1798 HIS 9 CG 0.0168 0.0133 0.0145 1799 HIS 9 ND1 0.0185 0.0129 0.0154 1800 HIS 9 CD2 0.0152 0.0165 0.0152 1801 HIS 9 CE1 0.0180 0.0158 0.0167 1802 HIS 9 NE2 0.0160 0.0180 0.0166 1803 HIS 9 H 0.0133 0.0091 0.0097 1804 HIS 9 HA 0.0123 0.0122 0.0107 1805 HIS 9 HB3 0.0179 0.0109 0.0139 1806 HIS 9 HB2 0.0183 0.0083 0.0127 1807 HIS 9 HD1 0.0198 0.0107 0.0151 1808 HIS 9 HD2 0.0137 0.0174 0.0147 1809 HIS 9 HE1 0.0191 0.0160 0.0176 1810 SER 10 N 0.0118 0.0056 0.0066 1811 SER 10 CA 0.0118 0.0028 0.0050 1812 SER 10 C 0.0091 0.0036 0.0036 1813 SER 10 O 0.0066 0.0053 0.0029 1814 SER 10 CB 0.0118 -0.0001 0.0034 1815 SER 10 OG 0.0143 -0.0010 0.0046 1816 SER 10 H 0.0100 0.0065 0.0059 1817 SER 10 HA 0.0139 0.0021 0.0061 1818 SER 10 HB3 0.0118 -0.0022 0.0022 1819 SER 10 HB2 0.0096 0.0004 0.0022 1820 SER 10 HG 0.0162 -0.0016 0.0056 1821 SER 11 N 0.0096 0.0004 0.0009 1822 SER 11 CA 0.0089 0.0004 -0.0001 1823 SER 11 C 0.0089 -0.0009 -0.0014 1824 SER 11 O 0.0088 -0.0015 -0.0021 1825 SER 11 CB 0.0094 0.0004 0.0006 1826 SER 11 OG 0.0106 -0.0007 0.0012 1827 SER 11 H 0.0105 -0.0003 0.0014 1828 SER 11 HA 0.0080 0.0013 -0.0004 1829 SER 11 HB3 0.0093 0.0014 0.0014 1830 SER 11 HB2 0.0089 0.0003 -0.0002 1831 SER 11 HG 0.0107 -0.0016 0.0005 1832 GLU 12 N 0.0091 -0.0014 -0.0016 1833 GLU 12 CA 0.0092 -0.0026 -0.0028 1834 GLU 12 C 0.0080 -0.0025 -0.0043 1835 GLU 12 O 0.0072 -0.0016 -0.0045 1836 GLU 12 CB 0.0097 -0.0031 -0.0025 1837 GLU 12 CG 0.0098 -0.0044 -0.0037 1838 GLU 12 CD 0.0106 -0.0056 -0.0039 1839 GLU 12 OE1 0.0116 -0.0062 -0.0029 1840 GLU 12 OE2 0.0101 -0.0061 -0.0050 1841 GLU 12 H 0.0091 -0.0008 -0.0010 1842 GLU 12 HA 0.0097 -0.0035 -0.0028 1843 GLU 12 HB3 0.0092 -0.0022 -0.0024 1844 GLU 12 HB2 0.0105 -0.0033 -0.0015 1845 GLU 12 HG3 0.0089 -0.0042 -0.0047 1846 GLU 12 HG2 0.0101 -0.0046 -0.0035 1847 SER 13 N 0.0072 -0.0040 -0.0091 1848 SER 13 CA 0.0070 -0.0040 -0.0092 1849 SER 13 C 0.0070 -0.0044 -0.0089 1850 SER 13 O 0.0069 -0.0044 -0.0090 1851 SER 13 CB 0.0066 -0.0040 -0.0095 1852 SER 13 OG 0.0063 -0.0044 -0.0094 1853 SER 13 H 0.0071 -0.0041 -0.0091 1854 SER 13 HA 0.0072 -0.0038 -0.0093 1855 SER 13 HB3 0.0066 -0.0038 -0.0097 1856 SER 13 HB2 0.0064 -0.0040 -0.0097 1857 SER 13 HG 0.0063 -0.0046 -0.0092 1858 ARG 14 N 0.0070 -0.0047 -0.0087 1859 ARG 14 CA 0.0070 -0.0050 -0.0084 1860 ARG 14 C 0.0073 -0.0050 -0.0081 1861 ARG 14 O 0.0077 -0.0047 -0.0081 1862 ARG 14 CB 0.0069 -0.0053 -0.0081 1863 ARG 14 CG 0.0065 -0.0054 -0.0083 1864 ARG 14 CD 0.0062 -0.0058 -0.0082 1865 ARG 14 NE 0.0059 -0.0059 -0.0083 1866 ARG 14 CZ 0.0056 -0.0058 -0.0086 1867 ARG 14 NH1 0.0055 -0.0057 -0.0088 1868 ARG 14 NH2 0.0053 -0.0059 -0.0087 1869 ARG 14 H 0.0071 -0.0046 -0.0086 1870 ARG 14 HA 0.0067 -0.0051 -0.0085 1871 ARG 14 HB3 0.0068 -0.0056 -0.0079 1872 ARG 14 HB2 0.0071 -0.0053 -0.0080 1873 ARG 14 HG3 0.0066 -0.0053 -0.0083 1874 ARG 14 HG2 0.0063 -0.0052 -0.0086 1875 ARG 14 HD3 0.0061 -0.0059 -0.0082 1876 ARG 14 HD2 0.0064 -0.0060 -0.0079 1877 ARG 14 HE 0.0060 -0.0060 -0.0082 1878 ARG 14 HH12 0.0052 -0.0056 -0.0090 1879 ARG 14 HH11 0.0057 -0.0056 -0.0087 1880 ARG 14 HH22 0.0050 -0.0058 -0.0090 1881 ARG 14 HH21 0.0053 -0.0060 -0.0086 1882 CYS 15 N 0.0078 -0.0053 -0.0076 1883 CYS 15 CA 0.0078 -0.0050 -0.0075 1884 CYS 15 C 0.0083 -0.0050 -0.0066 1885 CYS 15 O 0.0088 -0.0057 -0.0062 1886 CYS 15 CB 0.0076 -0.0056 -0.0082 1887 CYS 15 SG 0.0075 -0.0053 -0.0081 1888 CYS 15 H 0.0077 -0.0058 -0.0081 1889 CYS 15 HA 0.0074 -0.0043 -0.0077 1890 CYS 15 HB3 0.0079 -0.0064 -0.0081 1891 CYS 15 HB2 0.0072 -0.0056 -0.0088 1892 CYS 16 N 0.0083 -0.0041 -0.0062 1893 CYS 16 CA 0.0088 -0.0039 -0.0053 1894 CYS 16 C 0.0087 -0.0032 -0.0050 1895 CYS 16 O 0.0081 -0.0026 -0.0055 1896 CYS 16 CB 0.0089 -0.0036 -0.0048 1897 CYS 16 SG 0.0097 -0.0036 -0.0036 1898 CYS 16 H 0.0079 -0.0036 -0.0065 1899 CYS 16 HA 0.0091 -0.0046 -0.0051 1900 CYS 16 HB3 0.0086 -0.0029 -0.0049 1901 CYS 16 HB2 0.0089 -0.0040 -0.0051 1902 ARG 17 N 0.0083 -0.0047 -0.0030 1903 ARG 17 CA 0.0080 -0.0040 -0.0028 1904 ARG 17 C 0.0080 -0.0034 -0.0020 1905 ARG 17 O 0.0084 -0.0036 -0.0013 1906 ARG 17 CB 0.0083 -0.0044 -0.0027 1907 ARG 17 CG 0.0079 -0.0037 -0.0026 1908 ARG 17 CD 0.0082 -0.0041 -0.0024 1909 ARG 17 NE 0.0088 -0.0043 -0.0016 1910 ARG 17 CZ 0.0090 -0.0043 -0.0012 1911 ARG 17 NH1 0.0087 -0.0040 -0.0014 1912 ARG 17 NH2 0.0095 -0.0045 -0.0005 1913 ARG 17 H 0.0088 -0.0051 -0.0027 1914 ARG 17 HA 0.0076 -0.0038 -0.0033 1915 ARG 17 HB3 0.0088 -0.0046 -0.0021 1916 ARG 17 HB2 0.0084 -0.0048 -0.0032 1917 ARG 17 HG3 0.0075 -0.0035 -0.0031 1918 ARG 17 HG2 0.0079 -0.0033 -0.0020 1919 ARG 17 HD3 0.0083 -0.0045 -0.0030 1920 ARG 17 HD2 0.0079 -0.0036 -0.0024 1921 ARG 17 HE 0.0090 -0.0045 -0.0015 1922 ARG 17 HH12 0.0088 -0.0039 -0.0010 1923 ARG 17 HH11 0.0083 -0.0038 -0.0019 1924 ARG 17 HH22 0.0097 -0.0045 -0.0001 1925 ARG 17 HH21 0.0098 -0.0047 -0.0003 1926 TYR 18 N 0.0074 -0.0027 -0.0021 1927 TYR 18 CA 0.0073 -0.0020 -0.0014 1928 TYR 18 C 0.0071 -0.0015 -0.0011 1929 TYR 18 O 0.0068 -0.0015 -0.0016 1930 TYR 18 CB 0.0068 -0.0016 -0.0017 1931 TYR 18 CG 0.0071 -0.0020 -0.0018 1932 TYR 18 CD1 0.0071 -0.0025 -0.0026 1933 TYR 18 CD2 0.0073 -0.0018 -0.0012 1934 TYR 18 CE1 0.0073 -0.0029 -0.0027 1935 TYR 18 CE2 0.0075 -0.0022 -0.0013 1936 TYR 18 CZ 0.0075 -0.0027 -0.0020 1937 TYR 18 OH 0.0077 -0.0031 -0.0022 1938 TYR 18 H 0.0071 -0.0026 -0.0026 1939 TYR 18 HA 0.0077 -0.0022 -0.0009 1940 TYR 18 HB3 0.0067 -0.0010 -0.0012 1941 TYR 18 HB2 0.0064 -0.0014 -0.0022 1942 TYR 18 HD1 0.0069 -0.0026 -0.0031 1943 TYR 18 HD2 0.0073 -0.0014 -0.0006 1944 TYR 18 HE1 0.0073 -0.0033 -0.0033 1945 TYR 18 HE2 0.0076 -0.0021 -0.0008 1946 TYR 18 HH 0.0076 -0.0035 -0.0027 1947 PRO 19 N 0.0061 -0.0029 0.0018 1948 PRO 19 CA 0.0053 -0.0026 0.0019 1949 PRO 19 C 0.0047 -0.0022 0.0017 1950 PRO 19 O 0.0047 -0.0023 0.0019 1951 PRO 19 CB 0.0052 -0.0027 0.0028 1952 PRO 19 CG 0.0057 -0.0030 0.0033 1953 PRO 19 CD 0.0064 -0.0032 0.0027 1954 PRO 19 HA 0.0054 -0.0025 0.0014 1955 PRO 19 HB3 0.0055 -0.0028 0.0028 1956 PRO 19 HB2 0.0046 -0.0024 0.0030 1957 PRO 19 HG3 0.0059 -0.0032 0.0038 1958 PRO 19 HG2 0.0053 -0.0029 0.0035 1959 PRO 19 HD2 0.0065 -0.0033 0.0028 1960 PRO 19 HD3 0.0069 -0.0035 0.0028 1961 LEU 20 N 0.0041 -0.0019 0.0013 1962 LEU 20 CA 0.0034 -0.0015 0.0012 1963 LEU 20 C 0.0027 -0.0012 0.0010 1964 LEU 20 O 0.0027 -0.0010 0.0004 1965 LEU 20 CB 0.0035 -0.0015 0.0004 1966 LEU 20 CG 0.0028 -0.0011 0.0002 1967 LEU 20 CD1 0.0025 -0.0011 0.0009 1968 LEU 20 CD2 0.0029 -0.0010 -0.0006 1969 LEU 20 H 0.0041 -0.0018 0.0011 1970 LEU 20 HA 0.0032 -0.0016 0.0018 1971 LEU 20 HB3 0.0038 -0.0015 -0.0001 1972 LEU 20 HB2 0.0040 -0.0017 0.0006 1973 LEU 20 HG 0.0023 -0.0008 0.0001 1974 LEU 20 HD11 0.0020 -0.0008 0.0008 1975 LEU 20 HD12 0.0024 -0.0011 0.0015 1976 LEU 20 HD13 0.0030 -0.0013 0.0010 1977 LEU 20 HD21 0.0024 -0.0007 -0.0008 1978 LEU 20 HD22 0.0034 -0.0012 -0.0006 1979 LEU 20 HD23 0.0031 -0.0010 -0.0012 1980 THR 21 N -0.0005 -0.0004 0.0056 1981 THR 21 CA -0.0017 0.0006 0.0058 1982 THR 21 C -0.0023 0.0016 0.0049 1983 THR 21 O -0.0023 0.0016 0.0049 1984 THR 21 CB -0.0024 0.0005 0.0074 1985 THR 21 OG1 -0.0019 -0.0004 0.0082 1986 THR 21 CG2 -0.0036 0.0016 0.0075 1987 THR 21 H -0.0004 -0.0008 0.0063 1988 THR 21 HA -0.0016 0.0007 0.0054 1989 THR 21 HB -0.0025 0.0004 0.0077 1990 THR 21 HG1 -0.0011 -0.0010 0.0082 1991 THR 21 HG21 -0.0041 0.0015 0.0087 1992 THR 21 HG22 -0.0041 0.0023 0.0069 1993 THR 21 HG23 -0.0036 0.0017 0.0072 1994 VAL 22 N -0.0027 0.0024 0.0040 1995 VAL 22 CA -0.0034 0.0034 0.0031 1996 VAL 22 C -0.0047 0.0043 0.0038 1997 VAL 22 O -0.0051 0.0045 0.0041 1998 VAL 22 CB -0.0031 0.0038 0.0016 1999 VAL 22 CG1 -0.0040 0.0050 0.0008 2000 VAL 22 CG2 -0.0018 0.0031 0.0008 2001 VAL 22 H -0.0026 0.0023 0.0039 2002 VAL 22 HA -0.0032 0.0033 0.0031 2003 VAL 22 HB -0.0030 0.0038 0.0017 2004 VAL 22 HG11 -0.0037 0.0053 -0.0003 2005 VAL 22 HG12 -0.0048 0.0055 0.0014 2006 VAL 22 HG13 -0.0040 0.0050 0.0008 2007 VAL 22 HG21 -0.0016 0.0034 -0.0003 2008 VAL 22 HG22 -0.0018 0.0031 0.0007 2009 VAL 22 HG23 -0.0012 0.0023 0.0013 2010 ASP 23 N -0.0078 0.0059 0.0059 2011 ASP 23 CA -0.0092 0.0066 0.0065 2012 ASP 23 C -0.0098 0.0076 0.0053 2013 ASP 23 O -0.0098 0.0077 0.0050 2014 ASP 23 CB -0.0096 0.0063 0.0078 2015 ASP 23 CG -0.0110 0.0070 0.0085 2016 ASP 23 OD1 -0.0114 0.0068 0.0096 2017 ASP 23 OD2 -0.0118 0.0079 0.0078 2018 ASP 23 H -0.0074 0.0056 0.0058 2019 ASP 23 HA -0.0094 0.0067 0.0067 2020 ASP 23 HB3 -0.0094 0.0062 0.0076 2021 ASP 23 HB2 -0.0091 0.0056 0.0086 2022 PHE 24 N -0.0104 0.0083 0.0047 2023 PHE 24 CA -0.0110 0.0092 0.0036 2024 PHE 24 C -0.0121 0.0099 0.0041 2025 PHE 24 O -0.0124 0.0104 0.0032 2026 PHE 24 CB -0.0113 0.0098 0.0029 2027 PHE 24 CG -0.0102 0.0093 0.0022 2028 PHE 24 CD1 -0.0093 0.0092 0.0011 2029 PHE 24 CD2 -0.0101 0.0091 0.0026 2030 PHE 24 CE1 -0.0082 0.0087 0.0005 2031 PHE 24 CE2 -0.0091 0.0086 0.0020 2032 PHE 24 CZ -0.0081 0.0085 0.0009 2033 PHE 24 H -0.0104 0.0081 0.0051 2034 PHE 24 HA -0.0103 0.0091 0.0028 2035 PHE 24 HB3 -0.0119 0.0106 0.0022 2036 PHE 24 HB2 -0.0119 0.0099 0.0038 2037 PHE 24 HD1 -0.0094 0.0094 0.0008 2038 PHE 24 HD2 -0.0108 0.0092 0.0035 2039 PHE 24 HE1 -0.0075 0.0086 -0.0004 2040 PHE 24 HE2 -0.0090 0.0084 0.0023 2041 PHE 24 HZ -0.0073 0.0081 0.0003 2042 GLU 25 N -0.0129 0.0099 0.0053 2043 GLU 25 CA -0.0142 0.0104 0.0059 2044 GLU 25 C -0.0139 0.0101 0.0063 2045 GLU 25 O -0.0146 0.0106 0.0061 2046 GLU 25 CB -0.0150 0.0104 0.0074 2047 GLU 25 CG -0.0148 0.0102 0.0074 2048 GLU 25 CD -0.0155 0.0102 0.0089 2049 GLU 25 OE1 -0.0168 0.0108 0.0092 2050 GLU 25 OE2 -0.0148 0.0094 0.0098 2051 GLU 25 H -0.0126 0.0095 0.0059 2052 GLU 25 HA -0.0149 0.0111 0.0051 2053 GLU 25 HB3 -0.0161 0.0110 0.0075 2054 GLU 25 HB2 -0.0147 0.0099 0.0084 2055 GLU 25 HG3 -0.0136 0.0096 0.0073 2056 GLU 25 HG2 -0.0151 0.0108 0.0065 2057 ALA 26 N -0.0127 0.0092 0.0069 2058 ALA 26 CA -0.0123 0.0089 0.0073 2059 ALA 26 C -0.0118 0.0090 0.0059 2060 ALA 26 O -0.0115 0.0088 0.0060 2061 ALA 26 CB -0.0111 0.0079 0.0083 2062 ALA 26 H -0.0121 0.0088 0.0071 2063 ALA 26 HA -0.0132 0.0091 0.0080 2064 ALA 26 HB1 -0.0108 0.0076 0.0086 2065 ALA 26 HB2 -0.0115 0.0077 0.0093 2066 ALA 26 HB3 -0.0102 0.0076 0.0076 2067 PHE 27 N -0.0114 0.0092 0.0045 2068 PHE 27 CA -0.0112 0.0096 0.0025 2069 PHE 27 C -0.0128 0.0111 0.0019 2070 PHE 27 O -0.0130 0.0117 0.0004 2071 PHE 27 CB -0.0100 0.0091 0.0011 2072 PHE 27 CG -0.0084 0.0076 0.0015 2073 PHE 27 CD1 -0.0079 0.0068 0.0030 2074 PHE 27 CD2 -0.0072 0.0070 0.0003 2075 PHE 27 CE1 -0.0064 0.0054 0.0034 2076 PHE 27 CE2 -0.0057 0.0056 0.0007 2077 PHE 27 CZ -0.0053 0.0048 0.0022 2078 PHE 27 H -0.0115 0.0093 0.0047 2079 PHE 27 HA -0.0107 0.0092 0.0025 2080 PHE 27 HB3 -0.0100 0.0095 -0.0004 2081 PHE 27 HB2 -0.0105 0.0095 0.0011 2082 PHE 27 HD1 -0.0088 0.0073 0.0040 2083 PHE 27 HD2 -0.0075 0.0076 -0.0009 2084 PHE 27 HE1 -0.0061 0.0048 0.0046 2085 PHE 27 HE2 -0.0048 0.0051 -0.0003 2086 PHE 27 HZ -0.0041 0.0038 0.0025 2087 GLY 28 N -0.0140 0.0118 0.0029 2088 GLY 28 CA -0.0156 0.0132 0.0025 2089 GLY 28 C -0.0159 0.0139 0.0012 2090 GLY 28 O -0.0172 0.0151 0.0007 2091 GLY 28 H -0.0137 0.0113 0.0040 2092 GLY 28 HA3 -0.0158 0.0136 0.0018 2093 GLY 28 HA2 -0.0164 0.0135 0.0039 2094 TRP 29 N -0.0135 0.0119 0.0018 2095 TRP 29 CA -0.0135 0.0120 0.0009 2096 TRP 29 C -0.0139 0.0124 0.0016 2097 TRP 29 O -0.0134 0.0119 0.0021 2098 TRP 29 CB -0.0125 0.0111 0.0004 2099 TRP 29 CG -0.0120 0.0107 -0.0002 2100 TRP 29 CD1 -0.0123 0.0110 -0.0005 2101 TRP 29 CD2 -0.0110 0.0098 -0.0007 2102 TRP 29 NE1 -0.0116 0.0104 -0.0011 2103 TRP 29 CE2 -0.0108 0.0096 -0.0013 2104 TRP 29 CE3 -0.0104 0.0092 -0.0007 2105 TRP 29 CZ2 -0.0100 0.0089 -0.0018 2106 TRP 29 CZ3 -0.0095 0.0084 -0.0013 2107 TRP 29 CH2 -0.0093 0.0082 -0.0018 2108 TRP 29 H -0.0129 0.0114 0.0022 2109 TRP 29 HA -0.0139 0.0124 0.0001 2110 TRP 29 HB3 -0.0125 0.0112 -0.0002 2111 TRP 29 HB2 -0.0121 0.0107 0.0012 2112 TRP 29 HD1 -0.0130 0.0116 -0.0002 2113 TRP 29 HE1 -0.0117 0.0105 -0.0014 2114 TRP 29 HE3 -0.0105 0.0093 -0.0003 2115 TRP 29 HZ2 -0.0098 0.0087 -0.0023 2116 TRP 29 HZ3 -0.0089 0.0079 -0.0013 2117 TRP 29 HH2 -0.0086 0.0076 -0.0023 2118 ASP 30 N -0.0148 0.0132 0.0016 2119 ASP 30 CA -0.0153 0.0137 0.0023 2120 ASP 30 C -0.0152 0.0136 0.0015 2121 ASP 30 O -0.0154 0.0137 0.0021 2122 ASP 30 CB -0.0164 0.0146 0.0025 2123 ASP 30 CG -0.0169 0.0152 0.0013 2124 ASP 30 OD1 -0.0176 0.0159 0.0012 2125 ASP 30 OD2 -0.0165 0.0149 0.0004 2126 ASP 30 H -0.0152 0.0136 0.0011 2127 ASP 30 HA -0.0150 0.0133 0.0032 2128 ASP 30 HB3 -0.0164 0.0147 0.0031 2129 ASP 30 HB2 -0.0167 0.0149 0.0031 2130 TRP 31 N -0.0147 0.0104 0.0029 2131 TRP 31 CA -0.0146 0.0100 0.0026 2132 TRP 31 C -0.0142 0.0101 0.0025 2133 TRP 31 O -0.0140 0.0098 0.0022 2134 TRP 31 CB -0.0150 0.0097 0.0027 2135 TRP 31 CG -0.0151 0.0100 0.0029 2136 TRP 31 CD1 -0.0154 0.0103 0.0032 2137 TRP 31 CD2 -0.0149 0.0101 0.0029 2138 TRP 31 NE1 -0.0154 0.0105 0.0034 2139 TRP 31 CE2 -0.0152 0.0104 0.0032 2140 TRP 31 CE3 -0.0146 0.0100 0.0026 2141 TRP 31 CZ2 -0.0151 0.0105 0.0032 2142 TRP 31 CZ3 -0.0146 0.0101 0.0027 2143 TRP 31 CH2 -0.0148 0.0104 0.0030 2144 TRP 31 H -0.0149 0.0105 0.0031 2145 TRP 31 HA -0.0146 0.0098 0.0025 2146 TRP 31 HB3 -0.0152 0.0096 0.0028 2147 TRP 31 HB2 -0.0149 0.0095 0.0025 2148 TRP 31 HD1 -0.0156 0.0103 0.0033 2149 TRP 31 HE1 -0.0157 0.0107 0.0036 2150 TRP 31 HE3 -0.0145 0.0097 0.0024 2151 TRP 31 HZ2 -0.0153 0.0107 0.0034 2152 TRP 31 HZ3 -0.0143 0.0100 0.0025 2153 TRP 31 HH2 -0.0147 0.0105 0.0030 2154 ILE 32 N -0.0140 0.0105 0.0026 2155 ILE 32 CA -0.0136 0.0106 0.0025 2156 ILE 32 C -0.0133 0.0108 0.0024 2157 ILE 32 O -0.0133 0.0110 0.0026 2158 ILE 32 CB -0.0135 0.0110 0.0027 2159 ILE 32 CG1 -0.0137 0.0109 0.0027 2160 ILE 32 CG2 -0.0130 0.0112 0.0025 2161 ILE 32 CD1 -0.0138 0.0112 0.0029 2162 ILE 32 H -0.0142 0.0107 0.0028 2163 ILE 32 HA -0.0135 0.0104 0.0023 2164 ILE 32 HB -0.0137 0.0113 0.0029 2165 ILE 32 HG13 -0.0140 0.0106 0.0027 2166 ILE 32 HG12 -0.0135 0.0107 0.0025 2167 ILE 32 HG21 -0.0130 0.0115 0.0027 2168 ILE 32 HG22 -0.0129 0.0113 0.0025 2169 ILE 32 HG23 -0.0129 0.0110 0.0023 2170 ILE 32 HD11 -0.0140 0.0111 0.0029 2171 ILE 32 HD12 -0.0141 0.0114 0.0031 2172 ILE 32 HD13 -0.0135 0.0115 0.0029 2173 ILE 33 N -0.0124 0.0087 0.0009 2174 ILE 33 CA -0.0118 0.0085 -0.0005 2175 ILE 33 C -0.0121 0.0097 -0.0014 2176 ILE 33 O -0.0119 0.0099 -0.0024 2177 ILE 33 CB -0.0114 0.0077 -0.0008 2178 ILE 33 CG1 -0.0110 0.0064 0.0002 2179 ILE 33 CG2 -0.0108 0.0075 -0.0022 2180 ILE 33 CD1 -0.0108 0.0057 0.0003 2181 ILE 33 H -0.0126 0.0088 0.0014 2182 ILE 33 HA -0.0115 0.0080 -0.0007 2183 ILE 33 HB -0.0117 0.0082 -0.0005 2184 ILE 33 HG13 -0.0114 0.0066 0.0012 2185 ILE 33 HG12 -0.0106 0.0058 -0.0002 2186 ILE 33 HG21 -0.0105 0.0069 -0.0024 2187 ILE 33 HG22 -0.0110 0.0084 -0.0029 2188 ILE 33 HG23 -0.0105 0.0070 -0.0025 2189 ILE 33 HD11 -0.0106 0.0048 0.0010 2190 ILE 33 HD12 -0.0112 0.0063 0.0007 2191 ILE 33 HD13 -0.0104 0.0055 -0.0007 2192 ALA 34 N -0.0126 0.0106 -0.0012 2193 ALA 34 CA -0.0129 0.0119 -0.0020 2194 ALA 34 C -0.0137 0.0129 -0.0012 2195 ALA 34 O -0.0138 0.0125 -0.0003 2196 ALA 34 CB -0.0125 0.0118 -0.0032 2197 ALA 34 H -0.0128 0.0104 -0.0004 2198 ALA 34 HA -0.0130 0.0122 -0.0023 2199 ALA 34 HB1 -0.0127 0.0127 -0.0038 2200 ALA 34 HB2 -0.0120 0.0111 -0.0038 2201 ALA 34 HB3 -0.0124 0.0115 -0.0029 2202 PRO 35 N -0.0118 0.0108 0.0029 2203 PRO 35 CA -0.0120 0.0103 0.0037 2204 PRO 35 C -0.0120 0.0101 0.0040 2205 PRO 35 O -0.0117 0.0103 0.0036 2206 PRO 35 CB -0.0112 0.0100 0.0038 2207 PRO 35 CG -0.0106 0.0102 0.0032 2208 PRO 35 CD -0.0110 0.0107 0.0026 2209 PRO 35 HA -0.0125 0.0103 0.0039 2210 PRO 35 HB3 -0.0114 0.0100 0.0039 2211 PRO 35 HB2 -0.0111 0.0096 0.0043 2212 PRO 35 HG3 -0.0102 0.0101 0.0032 2213 PRO 35 HG2 -0.0103 0.0100 0.0033 2214 PRO 35 HD2 -0.0108 0.0108 0.0023 2215 PRO 35 HD3 -0.0110 0.0109 0.0024 2216 LYS 36 N -0.0123 0.0098 0.0047 2217 LYS 36 CA -0.0123 0.0095 0.0050 2218 LYS 36 C -0.0115 0.0092 0.0052 2219 LYS 36 O -0.0113 0.0091 0.0053 2220 LYS 36 CB -0.0129 0.0093 0.0057 2221 LYS 36 CG -0.0137 0.0097 0.0056 2222 LYS 36 CD -0.0140 0.0100 0.0052 2223 LYS 36 CE -0.0149 0.0104 0.0050 2224 LYS 36 NZ -0.0151 0.0108 0.0045 2225 LYS 36 H -0.0125 0.0097 0.0049 2226 LYS 36 HA -0.0124 0.0098 0.0047 2227 LYS 36 HB3 -0.0129 0.0091 0.0060 2228 LYS 36 HB2 -0.0127 0.0090 0.0061 2229 LYS 36 HG3 -0.0141 0.0095 0.0061 2230 LYS 36 HG2 -0.0137 0.0099 0.0053 2231 LYS 36 HD3 -0.0136 0.0102 0.0047 2232 LYS 36 HD2 -0.0140 0.0098 0.0055 2233 LYS 36 HE3 -0.0153 0.0102 0.0055 2234 LYS 36 HE2 -0.0149 0.0105 0.0049 2235 LYS 36 HZ1 -0.0147 0.0110 0.0040 2236 LYS 36 HZ2 -0.0156 0.0110 0.0044 2237 LYS 36 HZ3 -0.0150 0.0107 0.0046 2238 ARG 37 N -0.0096 0.0075 0.0070 2239 ARG 37 CA -0.0083 0.0063 0.0070 2240 ARG 37 C -0.0072 0.0055 0.0066 2241 ARG 37 O -0.0075 0.0056 0.0069 2242 ARG 37 CB -0.0082 0.0056 0.0087 2243 ARG 37 CG -0.0091 0.0061 0.0092 2244 ARG 37 CD -0.0087 0.0052 0.0108 2245 ARG 37 NE -0.0090 0.0049 0.0123 2246 ARG 37 CZ -0.0103 0.0056 0.0134 2247 ARG 37 NH1 -0.0113 0.0067 0.0131 2248 ARG 37 NH2 -0.0105 0.0053 0.0148 2249 ARG 37 H -0.0098 0.0076 0.0073 2250 ARG 37 HA -0.0080 0.0064 0.0060 2251 ARG 37 HB3 -0.0072 0.0046 0.0088 2252 ARG 37 HB2 -0.0086 0.0055 0.0097 2253 ARG 37 HG3 -0.0101 0.0070 0.0095 2254 ARG 37 HG2 -0.0088 0.0064 0.0081 2255 ARG 37 HD3 -0.0093 0.0056 0.0111 2256 ARG 37 HD2 -0.0076 0.0043 0.0105 2257 ARG 37 HE -0.0083 0.0042 0.0125 2258 ARG 37 HH12 -0.0122 0.0072 0.0140 2259 ARG 37 HH11 -0.0111 0.0069 0.0121 2260 ARG 37 HH22 -0.0115 0.0059 0.0156 2261 ARG 37 HH21 -0.0097 0.0045 0.0150 2262 TYR 38 N -0.0059 0.0045 0.0060 2263 TYR 38 CA -0.0047 0.0036 0.0057 2264 TYR 38 C -0.0034 0.0024 0.0054 2265 TYR 38 O -0.0033 0.0025 0.0050 2266 TYR 38 CB -0.0047 0.0042 0.0041 2267 TYR 38 CG -0.0040 0.0042 0.0023 2268 TYR 38 CD1 -0.0047 0.0051 0.0016 2269 TYR 38 CD2 -0.0027 0.0033 0.0015 2270 TYR 38 CE1 -0.0040 0.0051 0.0000 2271 TYR 38 CE2 -0.0020 0.0033 -0.0001 2272 TYR 38 CZ -0.0027 0.0042 -0.0008 2273 TYR 38 OH -0.0020 0.0042 -0.0024 2274 TYR 38 H -0.0057 0.0044 0.0058 2275 TYR 38 HA -0.0049 0.0033 0.0068 2276 TYR 38 HB3 -0.0058 0.0052 0.0040 2277 TYR 38 HB2 -0.0042 0.0037 0.0042 2278 TYR 38 HD1 -0.0057 0.0058 0.0022 2279 TYR 38 HD2 -0.0022 0.0026 0.0020 2280 TYR 38 HE1 -0.0045 0.0058 -0.0006 2281 TYR 38 HE2 -0.0010 0.0027 -0.0008 2282 TYR 38 HH -0.0012 0.0036 -0.0029 2283 LYS 39 N -0.0013 0.0016 0.0047 2284 LYS 39 CA 0.0000 0.0004 0.0045 2285 LYS 39 C 0.0008 0.0004 0.0027 2286 LYS 39 O 0.0011 0.0003 0.0021 2287 LYS 39 CB 0.0006 -0.0008 0.0056 2288 LYS 39 CG 0.0000 -0.0010 0.0074 2289 LYS 39 CD 0.0007 -0.0021 0.0085 2290 LYS 39 CE -0.0001 -0.0017 0.0095 2291 LYS 39 NZ -0.0003 -0.0011 0.0085 2292 LYS 39 H -0.0014 0.0016 0.0051 2293 LYS 39 HA -0.0001 0.0003 0.0048 2294 LYS 39 HB3 0.0016 -0.0016 0.0053 2295 LYS 39 HB2 0.0006 -0.0007 0.0054 2296 LYS 39 HG3 -0.0010 -0.0001 0.0078 2297 LYS 39 HG2 0.0001 -0.0011 0.0076 2298 LYS 39 HD3 0.0009 -0.0028 0.0094 2299 LYS 39 HD2 0.0016 -0.0027 0.0078 2300 LYS 39 HE3 -0.0010 -0.0011 0.0102 2301 LYS 39 HE2 0.0003 -0.0026 0.0104 2302 LYS 39 HZ1 -0.0005 -0.0004 0.0075 2303 LYS 39 HZ2 0.0005 -0.0017 0.0080 2304 LYS 39 HZ3 -0.0010 -0.0006 0.0091 2305 ALA 40 N 0.0010 0.0006 0.0018 2306 ALA 40 CA 0.0018 0.0006 -0.0000 2307 ALA 40 C 0.0032 -0.0007 -0.0003 2308 ALA 40 O 0.0039 -0.0010 -0.0015 2309 ALA 40 CB 0.0013 0.0016 -0.0009 2310 ALA 40 H 0.0007 0.0007 0.0023 2311 ALA 40 HA 0.0016 0.0010 -0.0005 2312 ALA 40 HB1 0.0018 0.0016 -0.0022 2313 ALA 40 HB2 0.0003 0.0025 -0.0008 2314 ALA 40 HB3 0.0013 0.0012 -0.0004 2315 ASN 41 N 0.0044 -0.0010 -0.0007 2316 ASN 41 CA 0.0051 -0.0019 -0.0009 2317 ASN 41 C 0.0053 -0.0019 -0.0022 2318 ASN 41 O 0.0049 -0.0012 -0.0029 2319 ASN 41 CB 0.0057 -0.0027 -0.0008 2320 ASN 41 CG 0.0055 -0.0028 0.0004 2321 ASN 41 OD1 0.0054 -0.0029 0.0013 2322 ASN 41 ND2 0.0054 -0.0026 0.0003 2323 ASN 41 H 0.0041 -0.0007 -0.0000 2324 ASN 41 HA 0.0051 -0.0021 -0.0003 2325 ASN 41 HB3 0.0062 -0.0034 -0.0008 2326 ASN 41 HB2 0.0058 -0.0027 -0.0015 2327 ASN 41 HD22 0.0053 -0.0026 0.0010 2328 ASN 41 HD21 0.0055 -0.0025 -0.0005 2329 TYR 42 N 0.0059 -0.0026 -0.0024 2330 TYR 42 CA 0.0061 -0.0027 -0.0036 2331 TYR 42 C 0.0069 -0.0037 -0.0038 2332 TYR 42 O 0.0072 -0.0043 -0.0030 2333 TYR 42 CB 0.0057 -0.0020 -0.0038 2334 TYR 42 CG 0.0059 -0.0024 -0.0031 2335 TYR 42 CD1 0.0056 -0.0023 -0.0020 2336 TYR 42 CD2 0.0063 -0.0028 -0.0037 2337 TYR 42 CE1 0.0057 -0.0026 -0.0014 2338 TYR 42 CE2 0.0064 -0.0031 -0.0031 2339 TYR 42 CZ 0.0061 -0.0030 -0.0019 2340 TYR 42 OH 0.0062 -0.0033 -0.0013 2341 TYR 42 H 0.0062 -0.0032 -0.0018 2342 TYR 42 HA 0.0061 -0.0024 -0.0042 2343 TYR 42 HB3 0.0052 -0.0013 -0.0036 2344 TYR 42 HB2 0.0058 -0.0020 -0.0047 2345 TYR 42 HD1 0.0053 -0.0019 -0.0015 2346 TYR 42 HD2 0.0065 -0.0029 -0.0046 2347 TYR 42 HE1 0.0055 -0.0025 -0.0004 2348 TYR 42 HE2 0.0067 -0.0035 -0.0035 2349 TYR 42 HH 0.0064 -0.0034 -0.0019 2350 CYS 43 N 0.0074 -0.0028 -0.0059 2351 CYS 43 CA 0.0076 -0.0031 -0.0061 2352 CYS 43 C 0.0076 -0.0031 -0.0062 2353 CYS 43 O 0.0073 -0.0028 -0.0064 2354 CYS 43 CB 0.0077 -0.0034 -0.0066 2355 CYS 43 SG 0.0078 -0.0035 -0.0066 2356 CYS 43 H 0.0072 -0.0026 -0.0062 2357 CYS 43 HA 0.0079 -0.0033 -0.0058 2358 CYS 43 HB3 0.0079 -0.0037 -0.0067 2359 CYS 43 HB2 0.0075 -0.0032 -0.0069 2360 SER 44 N 0.0078 -0.0033 -0.0060 2361 SER 44 CA 0.0078 -0.0033 -0.0060 2362 SER 44 C 0.0081 -0.0037 -0.0060 2363 SER 44 O 0.0084 -0.0039 -0.0056 2364 SER 44 CB 0.0076 -0.0029 -0.0056 2365 SER 44 OG 0.0075 -0.0029 -0.0057 2366 SER 44 H 0.0080 -0.0035 -0.0058 2367 SER 44 HA 0.0076 -0.0032 -0.0064 2368 SER 44 HB3 0.0077 -0.0030 -0.0053 2369 SER 44 HB2 0.0073 -0.0027 -0.0057 2370 SER 44 HG 0.0073 -0.0027 -0.0059 2371 GLY 45 N 0.0076 -0.0030 -0.0083 2372 GLY 45 CA 0.0072 -0.0035 -0.0085 2373 GLY 45 C 0.0069 -0.0039 -0.0089 2374 GLY 45 O 0.0069 -0.0038 -0.0090 2375 GLY 45 H 0.0076 -0.0027 -0.0086 2376 GLY 45 HA3 0.0072 -0.0038 -0.0081 2377 GLY 45 HA2 0.0072 -0.0034 -0.0088 2378 GLN 46 N 0.0065 -0.0043 -0.0092 2379 GLN 46 CA 0.0062 -0.0047 -0.0096 2380 GLN 46 C 0.0060 -0.0053 -0.0092 2381 GLN 46 O 0.0061 -0.0055 -0.0087 2382 GLN 46 CB 0.0059 -0.0049 -0.0101 2383 GLN 46 CG 0.0060 -0.0044 -0.0105 2384 GLN 46 CD 0.0061 -0.0040 -0.0110 2385 GLN 46 OE1 0.0064 -0.0034 -0.0109 2386 GLN 46 NE2 0.0058 -0.0041 -0.0114 2387 GLN 46 H 0.0065 -0.0044 -0.0091 2388 GLN 46 HA 0.0062 -0.0044 -0.0099 2389 GLN 46 HB3 0.0056 -0.0052 -0.0104 2390 GLN 46 HB2 0.0058 -0.0053 -0.0098 2391 GLN 46 HG3 0.0057 -0.0047 -0.0108 2392 GLN 46 HG2 0.0062 -0.0042 -0.0102 2393 GLN 46 HE22 0.0059 -0.0038 -0.0117 2394 GLN 46 HE21 0.0056 -0.0046 -0.0115 2395 CYS 47 N 0.0052 -0.0047 -0.0103 2396 CYS 47 CA 0.0050 -0.0046 -0.0100 2397 CYS 47 C 0.0048 -0.0046 -0.0100 2398 CYS 47 O 0.0049 -0.0045 -0.0098 2399 CYS 47 CB 0.0052 -0.0045 -0.0097 2400 CYS 47 SG 0.0053 -0.0045 -0.0096 2401 CYS 47 H 0.0054 -0.0047 -0.0103 2402 CYS 47 HA 0.0048 -0.0046 -0.0100 2403 CYS 47 HB3 0.0050 -0.0044 -0.0094 2404 CYS 47 HB2 0.0054 -0.0045 -0.0097 2405 GLU 48 N 0.0045 -0.0046 -0.0101 2406 GLU 48 CA 0.0043 -0.0046 -0.0101 2407 GLU 48 C 0.0040 -0.0045 -0.0100 2408 GLU 48 O 0.0038 -0.0045 -0.0099 2409 GLU 48 CB 0.0043 -0.0047 -0.0105 2410 GLU 48 CG 0.0046 -0.0048 -0.0107 2411 GLU 48 CD 0.0046 -0.0049 -0.0110 2412 GLU 48 OE1 0.0043 -0.0049 -0.0112 2413 GLU 48 OE2 0.0049 -0.0049 -0.0112 2414 GLU 48 H 0.0044 -0.0046 -0.0102 2415 GLU 48 HA 0.0045 -0.0046 -0.0100 2416 GLU 48 HB3 0.0041 -0.0047 -0.0105 2417 GLU 48 HB2 0.0041 -0.0047 -0.0106 2418 GLU 48 HG3 0.0048 -0.0047 -0.0106 2419 GLU 48 HG2 0.0047 -0.0048 -0.0106 2420 TYR 49 N 0.0041 -0.0040 -0.0092 2421 TYR 49 CA 0.0034 -0.0031 -0.0090 2422 TYR 49 C 0.0030 -0.0025 -0.0088 2423 TYR 49 O 0.0036 -0.0025 -0.0084 2424 TYR 49 CB 0.0026 -0.0031 -0.0097 2425 TYR 49 CG 0.0030 -0.0037 -0.0098 2426 TYR 49 CD1 0.0032 -0.0032 -0.0093 2427 TYR 49 CD2 0.0031 -0.0046 -0.0105 2428 TYR 49 CE1 0.0036 -0.0037 -0.0094 2429 TYR 49 CE2 0.0034 -0.0050 -0.0107 2430 TYR 49 CZ 0.0036 -0.0046 -0.0101 2431 TYR 49 OH 0.0040 -0.0051 -0.0102 2432 TYR 49 H 0.0047 -0.0042 -0.0089 2433 TYR 49 HA 0.0038 -0.0027 -0.0084 2434 TYR 49 HB3 0.0021 -0.0024 -0.0095 2435 TYR 49 HB2 0.0022 -0.0035 -0.0103 2436 TYR 49 HD1 0.0032 -0.0025 -0.0087 2437 TYR 49 HD2 0.0029 -0.0049 -0.0110 2438 TYR 49 HE1 0.0038 -0.0034 -0.0090 2439 TYR 49 HE2 0.0034 -0.0057 -0.0112 2440 TYR 49 HH 0.0041 -0.0047 -0.0098 2441 MET 50 N 0.0021 -0.0021 -0.0092 2442 MET 50 CA 0.0017 -0.0015 -0.0090 2443 MET 50 C 0.0012 -0.0020 -0.0098 2444 MET 50 O 0.0008 -0.0015 -0.0098 2445 MET 50 CB 0.0010 -0.0006 -0.0088 2446 MET 50 CG 0.0014 -0.0001 -0.0081 2447 MET 50 SD 0.0005 0.0010 -0.0079 2448 MET 50 CE 0.0004 0.0016 -0.0075 2449 MET 50 H 0.0017 -0.0022 -0.0097 2450 MET 50 HA 0.0023 -0.0014 -0.0085 2451 MET 50 HB3 0.0007 -0.0001 -0.0086 2452 MET 50 HB2 0.0004 -0.0007 -0.0094 2453 MET 50 HG3 0.0016 -0.0006 -0.0083 2454 MET 50 HG2 0.0020 -0.0000 -0.0076 2455 MET 50 HE1 -0.0002 0.0023 -0.0073 2456 MET 50 HE2 0.0001 0.0012 -0.0079 2457 MET 50 HE3 0.0011 0.0016 -0.0069 2458 PHE 51 N 0.0043 -0.0052 -0.0089 2459 PHE 51 CA 0.0048 -0.0050 -0.0089 2460 PHE 51 C 0.0053 -0.0051 -0.0087 2461 PHE 51 O 0.0053 -0.0051 -0.0087 2462 PHE 51 CB 0.0049 -0.0045 -0.0093 2463 PHE 51 CG 0.0044 -0.0043 -0.0096 2464 PHE 51 CD1 0.0044 -0.0045 -0.0095 2465 PHE 51 CD2 0.0041 -0.0040 -0.0099 2466 PHE 51 CE1 0.0040 -0.0043 -0.0097 2467 PHE 51 CE2 0.0037 -0.0039 -0.0101 2468 PHE 51 CZ 0.0037 -0.0040 -0.0100 2469 PHE 51 H 0.0041 -0.0050 -0.0091 2470 PHE 51 HA 0.0049 -0.0051 -0.0088 2471 PHE 51 HB3 0.0053 -0.0043 -0.0093 2472 PHE 51 HB2 0.0048 -0.0044 -0.0094 2473 PHE 51 HD1 0.0046 -0.0047 -0.0092 2474 PHE 51 HD2 0.0042 -0.0039 -0.0100 2475 PHE 51 HE1 0.0039 -0.0044 -0.0096 2476 PHE 51 HE2 0.0035 -0.0036 -0.0103 2477 PHE 51 HZ 0.0033 -0.0039 -0.0102 2478 MET 52 N 0.0057 -0.0052 -0.0085 2479 MET 52 CA 0.0063 -0.0052 -0.0083 2480 MET 52 C 0.0062 -0.0057 -0.0080 2481 MET 52 O 0.0065 -0.0057 -0.0079 2482 MET 52 CB 0.0065 -0.0048 -0.0086 2483 MET 52 CG 0.0065 -0.0044 -0.0089 2484 MET 52 SD 0.0068 -0.0044 -0.0089 2485 MET 52 CE 0.0075 -0.0042 -0.0088 2486 MET 52 H 0.0057 -0.0052 -0.0085 2487 MET 52 HA 0.0065 -0.0053 -0.0082 2488 MET 52 HB3 0.0070 -0.0049 -0.0085 2489 MET 52 HB2 0.0063 -0.0048 -0.0086 2490 MET 52 HG3 0.0067 -0.0041 -0.0091 2491 MET 52 HG2 0.0061 -0.0044 -0.0091 2492 MET 52 HE1 0.0078 -0.0042 -0.0087 2493 MET 52 HE2 0.0076 -0.0039 -0.0090 2494 MET 52 HE3 0.0076 -0.0045 -0.0085 2495 GLN 53 N 0.0048 -0.0023 -0.0115 2496 GLN 53 CA 0.0047 -0.0029 -0.0108 2497 GLN 53 C 0.0049 -0.0031 -0.0110 2498 GLN 53 O 0.0049 -0.0026 -0.0113 2499 GLN 53 CB 0.0040 -0.0026 -0.0102 2500 GLN 53 CG 0.0038 -0.0026 -0.0099 2501 GLN 53 CD 0.0031 -0.0024 -0.0092 2502 GLN 53 OE1 0.0029 -0.0024 -0.0088 2503 GLN 53 NE2 0.0029 -0.0021 -0.0090 2504 GLN 53 H 0.0045 -0.0017 -0.0115 2505 GLN 53 HA 0.0049 -0.0034 -0.0108 2506 GLN 53 HB3 0.0039 -0.0030 -0.0097 2507 GLN 53 HB2 0.0038 -0.0020 -0.0103 2508 GLN 53 HG3 0.0039 -0.0022 -0.0103 2509 GLN 53 HG2 0.0040 -0.0032 -0.0098 2510 GLN 53 HE22 0.0024 -0.0019 -0.0086 2511 GLN 53 HE21 0.0031 -0.0020 -0.0094 2512 LYS 54 N 0.0051 -0.0038 -0.0108 2513 LYS 54 CA 0.0054 -0.0042 -0.0109 2514 LYS 54 C 0.0050 -0.0044 -0.0102 2515 LYS 54 O 0.0049 -0.0042 -0.0102 2516 LYS 54 CB 0.0060 -0.0049 -0.0112 2517 LYS 54 CG 0.0063 -0.0054 -0.0111 2518 LYS 54 CD 0.0069 -0.0061 -0.0114 2519 LYS 54 CE 0.0072 -0.0066 -0.0115 2520 LYS 54 NZ 0.0077 -0.0074 -0.0116 2521 LYS 54 H 0.0051 -0.0042 -0.0105 2522 LYS 54 HA 0.0055 -0.0037 -0.0113 2523 LYS 54 HB3 0.0060 -0.0052 -0.0109 2524 LYS 54 HB2 0.0063 -0.0047 -0.0117 2525 LYS 54 HG3 0.0064 -0.0051 -0.0115 2526 LYS 54 HG2 0.0060 -0.0056 -0.0106 2527 LYS 54 HD3 0.0068 -0.0065 -0.0110 2528 LYS 54 HD2 0.0071 -0.0059 -0.0119 2529 LYS 54 HE3 0.0074 -0.0062 -0.0120 2530 LYS 54 HE2 0.0070 -0.0067 -0.0111 2531 LYS 54 HZ1 0.0079 -0.0073 -0.0119 2532 LYS 54 HZ2 0.0076 -0.0078 -0.0111 2533 LYS 54 HZ3 0.0080 -0.0076 -0.0119 2534 TYR 55 N 0.0021 -0.0031 -0.0141 2535 TYR 55 CA 0.0019 -0.0028 -0.0124 2536 TYR 55 C 0.0012 -0.0020 -0.0113 2537 TYR 55 O 0.0014 -0.0022 -0.0115 2538 TYR 55 CB 0.0030 -0.0041 -0.0114 2539 TYR 55 CG 0.0036 -0.0048 -0.0121 2540 TYR 55 CD1 0.0030 -0.0041 -0.0125 2541 TYR 55 CD2 0.0047 -0.0062 -0.0124 2542 TYR 55 CE1 0.0036 -0.0048 -0.0131 2543 TYR 55 CE2 0.0053 -0.0068 -0.0130 2544 TYR 55 CZ 0.0047 -0.0061 -0.0134 2545 TYR 55 OH 0.0053 -0.0068 -0.0140 2546 TYR 55 H 0.0027 -0.0038 -0.0143 2547 TYR 55 HA 0.0014 -0.0022 -0.0124 2548 TYR 55 HB3 0.0028 -0.0039 -0.0100 2549 TYR 55 HB2 0.0035 -0.0047 -0.0115 2550 TYR 55 HD1 0.0021 -0.0030 -0.0122 2551 TYR 55 HD2 0.0052 -0.0067 -0.0121 2552 TYR 55 HE1 0.0031 -0.0042 -0.0134 2553 TYR 55 HE2 0.0062 -0.0079 -0.0133 2554 TYR 55 HH 0.0048 -0.0062 -0.0139 2555 PRO 56 N 0.0004 -0.0010 -0.0103 2556 PRO 56 CA -0.0004 -0.0001 -0.0093 2557 PRO 56 C 0.0002 -0.0008 -0.0079 2558 PRO 56 O -0.0002 -0.0003 -0.0073 2559 PRO 56 CB -0.0012 0.0009 -0.0085 2560 PRO 56 CG -0.0006 0.0001 -0.0085 2561 PRO 56 CD 0.0002 -0.0007 -0.0101 2562 PRO 56 HA -0.0008 0.0004 -0.0102 2563 PRO 56 HB3 -0.0019 0.0017 -0.0093 2564 PRO 56 HB2 -0.0014 0.0011 -0.0071 2565 PRO 56 HG3 -0.0011 0.0008 -0.0086 2566 PRO 56 HG2 -0.0000 -0.0005 -0.0073 2567 PRO 56 HD2 0.0009 -0.0017 -0.0098 2568 PRO 56 HD3 -0.0003 -0.0001 -0.0112 2569 HIS 57 N 0.0016 -0.0012 -0.0078 2570 HIS 57 CA 0.0018 -0.0018 -0.0068 2571 HIS 57 C 0.0019 -0.0021 -0.0067 2572 HIS 57 O 0.0020 -0.0020 -0.0058 2573 HIS 57 CB 0.0022 -0.0028 -0.0067 2574 HIS 57 CG 0.0025 -0.0034 -0.0057 2575 HIS 57 ND1 0.0028 -0.0041 -0.0056 2576 HIS 57 CD2 0.0026 -0.0034 -0.0047 2577 HIS 57 CE1 0.0030 -0.0045 -0.0047 2578 HIS 57 NE2 0.0029 -0.0041 -0.0041 2579 HIS 57 H 0.0017 -0.0015 -0.0083 2580 HIS 57 HA 0.0017 -0.0013 -0.0061 2581 HIS 57 HB3 0.0024 -0.0032 -0.0075 2582 HIS 57 HB2 0.0021 -0.0026 -0.0068 2583 HIS 57 HD2 0.0024 -0.0029 -0.0046 2584 HIS 57 HE1 0.0033 -0.0051 -0.0044 2585 HIS 57 HE2 0.0030 -0.0042 -0.0033 2586 THR 58 N 0.0020 -0.0023 -0.0076 2587 THR 58 CA 0.0021 -0.0026 -0.0077 2588 THR 58 C 0.0018 -0.0018 -0.0072 2589 THR 58 O 0.0019 -0.0019 -0.0065 2590 THR 58 CB 0.0022 -0.0029 -0.0089 2591 THR 58 OG1 0.0025 -0.0037 -0.0093 2592 THR 58 CG2 0.0023 -0.0032 -0.0089 2593 THR 58 H 0.0020 -0.0024 -0.0083 2594 THR 58 HA 0.0024 -0.0033 -0.0072 2595 THR 58 HB 0.0019 -0.0022 -0.0094 2596 THR 58 HG1 0.0028 -0.0043 -0.0092 2597 THR 58 HG21 0.0023 -0.0034 -0.0098 2598 THR 58 HG22 0.0021 -0.0026 -0.0086 2599 THR 58 HG23 0.0026 -0.0039 -0.0084 2600 HIS 59 N 0.0003 -0.0003 -0.0068 2601 HIS 59 CA -0.0001 0.0007 -0.0064 2602 HIS 59 C 0.0000 0.0011 -0.0049 2603 HIS 59 O -0.0000 0.0014 -0.0042 2604 HIS 59 CB -0.0007 0.0019 -0.0072 2605 HIS 59 CG -0.0011 0.0030 -0.0067 2606 HIS 59 ND1 -0.0011 0.0031 -0.0069 2607 HIS 59 CD2 -0.0015 0.0042 -0.0061 2608 HIS 59 CE1 -0.0015 0.0042 -0.0064 2609 HIS 59 NE2 -0.0018 0.0049 -0.0059 2610 HIS 59 H 0.0002 -0.0001 -0.0075 2611 HIS 59 HA 0.0000 0.0004 -0.0066 2612 HIS 59 HB3 -0.0008 0.0021 -0.0071 2613 HIS 59 HB2 -0.0007 0.0017 -0.0083 2614 HIS 59 HD2 -0.0015 0.0043 -0.0058 2615 HIS 59 HE1 -0.0016 0.0044 -0.0065 2616 HIS 59 HE2 -0.0021 0.0057 -0.0055 2617 LEU 60 N 0.0001 0.0010 -0.0043 2618 LEU 60 CA 0.0002 0.0013 -0.0029 2619 LEU 60 C 0.0008 0.0004 -0.0020 2620 LEU 60 O 0.0008 0.0007 -0.0009 2621 LEU 60 CB 0.0002 0.0014 -0.0026 2622 LEU 60 CG -0.0004 0.0026 -0.0033 2623 LEU 60 CD1 -0.0003 0.0024 -0.0033 2624 LEU 60 CD2 -0.0008 0.0038 -0.0026 2625 LEU 60 H 0.0002 0.0007 -0.0049 2626 LEU 60 HA -0.0002 0.0023 -0.0026 2627 LEU 60 HB3 0.0003 0.0016 -0.0015 2628 LEU 60 HB2 0.0005 0.0006 -0.0030 2629 LEU 60 HG -0.0005 0.0025 -0.0044 2630 LEU 60 HD11 -0.0007 0.0032 -0.0038 2631 LEU 60 HD12 -0.0000 0.0015 -0.0039 2632 LEU 60 HD13 -0.0002 0.0024 -0.0023 2633 LEU 60 HD21 -0.0012 0.0046 -0.0031 2634 LEU 60 HD22 -0.0007 0.0039 -0.0015 2635 LEU 60 HD23 -0.0009 0.0039 -0.0027 2636 VAL 61 N 0.0009 -0.0004 -0.0035 2637 VAL 61 CA 0.0013 -0.0012 -0.0028 2638 VAL 61 C 0.0011 -0.0009 -0.0028 2639 VAL 61 O 0.0012 -0.0010 -0.0020 2640 VAL 61 CB 0.0017 -0.0023 -0.0034 2641 VAL 61 CG1 0.0021 -0.0031 -0.0029 2642 VAL 61 CG2 0.0019 -0.0027 -0.0031 2643 VAL 61 H 0.0010 -0.0006 -0.0042 2644 VAL 61 HA 0.0013 -0.0012 -0.0019 2645 VAL 61 HB 0.0017 -0.0023 -0.0043 2646 VAL 61 HG11 0.0024 -0.0039 -0.0032 2647 VAL 61 HG12 0.0020 -0.0028 -0.0031 2648 VAL 61 HG13 0.0021 -0.0032 -0.0019 2649 VAL 61 HG21 0.0022 -0.0035 -0.0035 2650 VAL 61 HG22 0.0019 -0.0027 -0.0022 2651 VAL 61 HG23 0.0017 -0.0022 -0.0035 2652 GLN 62 N 0.0010 -0.0006 -0.0038 2653 GLN 62 CA 0.0008 -0.0003 -0.0039 2654 GLN 62 C 0.0005 0.0006 -0.0031 2655 GLN 62 O 0.0005 0.0006 -0.0025 2656 GLN 62 CB 0.0007 0.0001 -0.0051 2657 GLN 62 CG 0.0010 -0.0008 -0.0060 2658 GLN 62 CD 0.0008 -0.0004 -0.0072 2659 GLN 62 OE1 0.0006 0.0000 -0.0077 2660 GLN 62 NE2 0.0009 -0.0006 -0.0078 2661 GLN 62 H 0.0009 -0.0005 -0.0045 2662 GLN 62 HA 0.0011 -0.0010 -0.0037 2663 GLN 62 HB3 0.0005 0.0006 -0.0051 2664 GLN 62 HB2 0.0004 0.0006 -0.0055 2665 GLN 62 HG3 0.0013 -0.0014 -0.0060 2666 GLN 62 HG2 0.0012 -0.0013 -0.0058 2667 GLN 62 HE22 0.0008 -0.0004 -0.0086 2668 GLN 62 HE21 0.0011 -0.0010 -0.0073 2669 GLN 63 N -0.0006 0.0023 -0.0022 2670 GLN 63 CA -0.0012 0.0031 -0.0014 2671 GLN 63 C -0.0012 0.0026 -0.0002 2672 GLN 63 O -0.0015 0.0030 0.0005 2673 GLN 63 CB -0.0014 0.0038 -0.0016 2674 GLN 63 CG -0.0015 0.0046 -0.0027 2675 GLN 63 CD -0.0019 0.0055 -0.0027 2676 GLN 63 OE1 -0.0018 0.0053 -0.0027 2677 GLN 63 NE2 -0.0023 0.0065 -0.0027 2678 GLN 63 H -0.0005 0.0021 -0.0027 2679 GLN 63 HA -0.0014 0.0037 -0.0016 2680 GLN 63 HB3 -0.0018 0.0043 -0.0009 2681 GLN 63 HB2 -0.0012 0.0033 -0.0016 2682 GLN 63 HG3 -0.0011 0.0041 -0.0035 2683 GLN 63 HG2 -0.0016 0.0049 -0.0028 2684 GLN 63 HE22 -0.0026 0.0072 -0.0027 2685 GLN 63 HE21 -0.0023 0.0066 -0.0027 2686 ALA 64 N -0.0009 0.0018 0.0001 2687 ALA 64 CA -0.0010 0.0012 0.0013 2688 ALA 64 C -0.0008 0.0006 0.0016 2689 ALA 64 O -0.0010 0.0006 0.0025 2690 ALA 64 CB -0.0006 0.0004 0.0014 2691 ALA 64 H -0.0007 0.0015 -0.0005 2692 ALA 64 HA -0.0013 0.0018 0.0019 2693 ALA 64 HB1 -0.0007 -0.0000 0.0023 2694 ALA 64 HB2 -0.0008 0.0008 0.0012 2695 ALA 64 HB3 -0.0002 -0.0002 0.0008 2696 ASN 65 N -0.0013 0.0004 0.0000 2697 ASN 65 CA -0.0016 0.0005 0.0002 2698 ASN 65 C -0.0023 -0.0002 0.0007 2699 ASN 65 O -0.0030 0.0001 0.0011 2700 ASN 65 CB -0.0020 0.0016 0.0004 2701 ASN 65 CG -0.0022 0.0018 0.0005 2702 ASN 65 OD1 -0.0027 0.0025 0.0009 2703 ASN 65 ND2 -0.0018 0.0014 0.0003 2704 ASN 65 H -0.0007 0.0004 -0.0004 2705 ASN 65 HA -0.0011 0.0005 -0.0001 2706 ASN 65 HB3 -0.0026 0.0016 0.0008 2707 ASN 65 HB2 -0.0016 0.0021 0.0001 2708 ASN 65 HD22 -0.0019 0.0016 0.0004 2709 ASN 65 HD21 -0.0014 0.0009 0.0000 2710 PRO 66 N -0.0020 -0.0011 0.0005 2711 PRO 66 CA -0.0026 -0.0019 0.0010 2712 PRO 66 C -0.0028 -0.0019 0.0011 2713 PRO 66 O -0.0024 -0.0015 0.0008 2714 PRO 66 CB -0.0022 -0.0028 0.0007 2715 PRO 66 CG -0.0013 -0.0026 0.0001 2716 PRO 66 CD -0.0012 -0.0015 -0.0000 2717 PRO 66 HA -0.0031 -0.0018 0.0013 2718 PRO 66 HB3 -0.0023 -0.0029 0.0008 2719 PRO 66 HB2 -0.0023 -0.0034 0.0008 2720 PRO 66 HG3 -0.0009 -0.0030 -0.0001 2721 PRO 66 HG2 -0.0011 -0.0027 -0.0000 2722 PRO 66 HD2 -0.0008 -0.0012 -0.0003 2723 PRO 66 HD3 -0.0010 -0.0015 -0.0001 2724 ARG 67 N -0.0074 -0.0007 0.0014 2725 ARG 67 CA -0.0085 -0.0006 0.0020 2726 ARG 67 C -0.0065 -0.0020 0.0008 2727 ARG 67 O -0.0056 -0.0045 0.0002 2728 ARG 67 CB -0.0111 -0.0023 0.0035 2729 ARG 67 CG -0.0134 -0.0003 0.0049 2730 ARG 67 CD -0.0159 -0.0021 0.0064 2731 ARG 67 NE -0.0158 -0.0049 0.0062 2732 ARG 67 CZ -0.0166 -0.0076 0.0066 2733 ARG 67 NH1 -0.0176 -0.0078 0.0072 2734 ARG 67 NH2 -0.0164 -0.0101 0.0064 2735 ARG 67 H -0.0084 -0.0019 0.0020 2736 ARG 67 HA -0.0088 0.0017 0.0023 2737 ARG 67 HB3 -0.0110 -0.0041 0.0034 2738 ARG 67 HB2 -0.0114 -0.0034 0.0037 2739 ARG 67 HG3 -0.0134 0.0016 0.0050 2740 ARG 67 HG2 -0.0132 0.0006 0.0048 2741 ARG 67 HD3 -0.0164 -0.0026 0.0066 2742 ARG 67 HD2 -0.0175 -0.0008 0.0074 2743 ARG 67 HE -0.0150 -0.0048 0.0057 2744 ARG 67 HH12 -0.0182 -0.0098 0.0075 2745 ARG 67 HH11 -0.0178 -0.0059 0.0073 2746 ARG 67 HH22 -0.0170 -0.0121 0.0067 2747 ARG 67 HH21 -0.0156 -0.0099 0.0059 2748 GLY 68 N -0.0059 -0.0003 0.0005 2749 GLY 68 CA -0.0042 -0.0014 -0.0005 2750 GLY 68 C -0.0014 -0.0008 -0.0022 2751 GLY 68 O 0.0003 -0.0018 -0.0032 2752 GLY 68 H -0.0066 0.0018 0.0010 2753 GLY 68 HA3 -0.0046 -0.0038 -0.0004 2754 GLY 68 HA2 -0.0048 -0.0005 -0.0001 2755 SER 69 N -0.0002 -0.0027 -0.0014 2756 SER 69 CA 0.0000 -0.0023 -0.0026 2757 SER 69 C 0.0002 -0.0018 -0.0036 2758 SER 69 O -0.0004 -0.0010 -0.0036 2759 SER 69 CB -0.0007 -0.0014 -0.0024 2760 SER 69 OG -0.0014 -0.0004 -0.0025 2761 SER 69 H -0.0008 -0.0022 -0.0009 2762 SER 69 HA 0.0006 -0.0029 -0.0028 2763 SER 69 HB3 -0.0009 -0.0017 -0.0014 2764 SER 69 HB2 -0.0005 -0.0013 -0.0030 2765 SER 69 HG -0.0018 -0.0003 -0.0017 2766 ALA 70 N 0.0010 -0.0023 -0.0046 2767 ALA 70 CA 0.0012 -0.0019 -0.0056 2768 ALA 70 C 0.0009 -0.0010 -0.0066 2769 ALA 70 O 0.0010 -0.0005 -0.0075 2770 ALA 70 CB 0.0022 -0.0029 -0.0062 2771 ALA 70 H 0.0014 -0.0029 -0.0046 2772 ALA 70 HA 0.0009 -0.0017 -0.0053 2773 ALA 70 HB1 0.0024 -0.0027 -0.0070 2774 ALA 70 HB2 0.0024 -0.0036 -0.0055 2775 ALA 70 HB3 0.0025 -0.0032 -0.0065 2776 GLY 71 N 0.0024 -0.0040 -0.0072 2777 GLY 71 CA 0.0026 -0.0034 -0.0076 2778 GLY 71 C 0.0035 -0.0038 -0.0081 2779 GLY 71 O 0.0039 -0.0044 -0.0081 2780 GLY 71 H 0.0022 -0.0045 -0.0068 2781 GLY 71 HA3 0.0026 -0.0027 -0.0079 2782 GLY 71 HA2 0.0023 -0.0033 -0.0074 2783 PRO 72 N 0.0038 -0.0033 -0.0086 2784 PRO 72 CA 0.0047 -0.0037 -0.0090 2785 PRO 72 C 0.0052 -0.0037 -0.0095 2786 PRO 72 O 0.0050 -0.0031 -0.0096 2787 PRO 72 CB 0.0048 -0.0031 -0.0094 2788 PRO 72 CG 0.0040 -0.0026 -0.0090 2789 PRO 72 CD 0.0035 -0.0025 -0.0087 2790 PRO 72 HA 0.0047 -0.0044 -0.0088 2791 PRO 72 HB3 0.0051 -0.0035 -0.0094 2792 PRO 72 HB2 0.0051 -0.0027 -0.0099 2793 PRO 72 HG3 0.0038 -0.0030 -0.0087 2794 PRO 72 HG2 0.0040 -0.0019 -0.0094 2795 PRO 72 HD2 0.0035 -0.0020 -0.0090 2796 PRO 72 HD3 0.0029 -0.0025 -0.0082 2797 CYS 73 N 0.0067 -0.0047 -0.0104 2798 CYS 73 CA 0.0068 -0.0043 -0.0103 2799 CYS 73 C 0.0070 -0.0043 -0.0099 2800 CYS 73 O 0.0070 -0.0046 -0.0097 2801 CYS 73 CB 0.0068 -0.0040 -0.0104 2802 CYS 73 SG 0.0068 -0.0041 -0.0102 2803 CYS 73 H 0.0067 -0.0048 -0.0103 2804 CYS 73 HA 0.0067 -0.0042 -0.0104 2805 CYS 73 HB3 0.0066 -0.0039 -0.0106 2806 CYS 73 HB2 0.0068 -0.0037 -0.0103 2807 CYS 74 N 0.0071 -0.0041 -0.0098 2808 CYS 74 CA 0.0073 -0.0040 -0.0094 2809 CYS 74 C 0.0074 -0.0038 -0.0093 2810 CYS 74 O 0.0073 -0.0035 -0.0093 2811 CYS 74 CB 0.0073 -0.0038 -0.0094 2812 CYS 74 SG 0.0075 -0.0038 -0.0089 2813 CYS 74 H 0.0070 -0.0039 -0.0099 2814 CYS 74 HA 0.0073 -0.0043 -0.0093 2815 CYS 74 HB3 0.0073 -0.0035 -0.0095 2816 CYS 74 HB2 0.0072 -0.0039 -0.0095 2817 THR 75 N 0.0080 -0.0042 -0.0097 2818 THR 75 CA 0.0080 -0.0039 -0.0096 2819 THR 75 C 0.0082 -0.0041 -0.0092 2820 THR 75 O 0.0084 -0.0045 -0.0090 2821 THR 75 CB 0.0078 -0.0041 -0.0101 2822 THR 75 OG1 0.0077 -0.0037 -0.0101 2823 THR 75 CG2 0.0080 -0.0046 -0.0101 2824 THR 75 H 0.0082 -0.0045 -0.0096 2825 THR 75 HA 0.0079 -0.0036 -0.0096 2826 THR 75 HB 0.0077 -0.0041 -0.0104 2827 THR 75 HG1 0.0076 -0.0036 -0.0104 2828 THR 75 HG21 0.0079 -0.0046 -0.0104 2829 THR 75 HG22 0.0081 -0.0048 -0.0101 2830 THR 75 HG23 0.0081 -0.0046 -0.0098 2831 PRO 76 N 0.0082 -0.0038 -0.0090 2832 PRO 76 CA 0.0084 -0.0039 -0.0086 2833 PRO 76 C 0.0085 -0.0044 -0.0088 2834 PRO 76 O 0.0083 -0.0045 -0.0091 2835 PRO 76 CB 0.0083 -0.0035 -0.0085 2836 PRO 76 CG 0.0081 -0.0031 -0.0087 2837 PRO 76 CD 0.0080 -0.0033 -0.0091 2838 PRO 76 HA 0.0085 -0.0040 -0.0083 2839 PRO 76 HB3 0.0085 -0.0034 -0.0082 2840 PRO 76 HB2 0.0083 -0.0036 -0.0087 2841 PRO 76 HG3 0.0082 -0.0029 -0.0084 2842 PRO 76 HG2 0.0080 -0.0028 -0.0088 2843 PRO 76 HD2 0.0079 -0.0033 -0.0094 2844 PRO 76 HD3 0.0080 -0.0031 -0.0091 2845 THR 77 N 0.0080 -0.0046 -0.0094 2846 THR 77 CA 0.0083 -0.0055 -0.0097 2847 THR 77 C 0.0087 -0.0056 -0.0092 2848 THR 77 O 0.0089 -0.0063 -0.0094 2849 THR 77 CB 0.0087 -0.0062 -0.0096 2850 THR 77 OG1 0.0092 -0.0060 -0.0088 2851 THR 77 CG2 0.0083 -0.0062 -0.0102 2852 THR 77 H 0.0083 -0.0044 -0.0089 2853 THR 77 HA 0.0079 -0.0056 -0.0104 2854 THR 77 HB 0.0090 -0.0069 -0.0098 2855 THR 77 HG1 0.0090 -0.0054 -0.0086 2856 THR 77 HG21 0.0087 -0.0067 -0.0102 2857 THR 77 HG22 0.0080 -0.0064 -0.0109 2858 THR 77 HG23 0.0081 -0.0056 -0.0101 2859 LYS 78 N 0.0088 -0.0049 -0.0086 2860 LYS 78 CA 0.0091 -0.0049 -0.0081 2861 LYS 78 C 0.0088 -0.0039 -0.0077 2862 LYS 78 O 0.0088 -0.0033 -0.0073 2863 LYS 78 CB 0.0098 -0.0054 -0.0074 2864 LYS 78 CG 0.0101 -0.0054 -0.0069 2865 LYS 78 CD 0.0108 -0.0059 -0.0062 2866 LYS 78 CE 0.0112 -0.0059 -0.0057 2867 LYS 78 NZ 0.0118 -0.0063 -0.0050 2868 LYS 78 H 0.0086 -0.0044 -0.0084 2869 LYS 78 HA 0.0090 -0.0052 -0.0085 2870 LYS 78 HB3 0.0099 -0.0050 -0.0069 2871 LYS 78 HB2 0.0100 -0.0060 -0.0076 2872 LYS 78 HG3 0.0100 -0.0058 -0.0074 2873 LYS 78 HG2 0.0099 -0.0048 -0.0067 2874 LYS 78 HD3 0.0109 -0.0055 -0.0058 2875 LYS 78 HD2 0.0110 -0.0066 -0.0064 2876 LYS 78 HE3 0.0111 -0.0063 -0.0061 2877 LYS 78 HE2 0.0110 -0.0052 -0.0054 2878 LYS 78 HZ1 0.0119 -0.0060 -0.0046 2879 LYS 78 HZ2 0.0120 -0.0063 -0.0046 2880 LYS 78 HZ3 0.0120 -0.0070 -0.0052 2881 MET 79 N 0.0085 -0.0032 -0.0070 2882 MET 79 CA 0.0071 -0.0022 -0.0064 2883 MET 79 C 0.0059 -0.0014 -0.0055 2884 MET 79 O 0.0061 -0.0012 -0.0060 2885 MET 79 CB 0.0070 -0.0009 -0.0078 2886 MET 79 CG 0.0082 -0.0015 -0.0087 2887 MET 79 SD 0.0079 -0.0021 -0.0076 2888 MET 79 CE 0.0065 -0.0003 -0.0079 2889 MET 79 H 0.0087 -0.0028 -0.0078 2890 MET 79 HA 0.0070 -0.0028 -0.0054 2891 MET 79 HB3 0.0060 -0.0001 -0.0073 2892 MET 79 HB2 0.0070 -0.0002 -0.0087 2893 MET 79 HG3 0.0083 -0.0006 -0.0100 2894 MET 79 HG2 0.0092 -0.0025 -0.0090 2895 MET 79 HE1 0.0062 -0.0004 -0.0073 2896 MET 79 HE2 0.0069 0.0004 -0.0093 2897 MET 79 HE3 0.0056 0.0004 -0.0075 2898 SER 80 N 0.0047 -0.0010 -0.0043 2899 SER 80 CA 0.0034 -0.0002 -0.0035 2900 SER 80 C 0.0022 0.0013 -0.0037 2901 SER 80 O 0.0022 0.0014 -0.0038 2902 SER 80 CB 0.0029 -0.0012 -0.0017 2903 SER 80 OG 0.0037 -0.0023 -0.0014 2904 SER 80 H 0.0046 -0.0013 -0.0039 2905 SER 80 HA 0.0036 0.0000 -0.0042 2906 SER 80 HB3 0.0018 -0.0004 -0.0010 2907 SER 80 HB2 0.0030 -0.0018 -0.0011 2908 SER 80 HG 0.0047 -0.0031 -0.0017 2909 PRO 81 N -0.0017 0.0050 -0.0020 2910 PRO 81 CA -0.0028 0.0068 -0.0019 2911 PRO 81 C -0.0042 0.0063 -0.0001 2912 PRO 81 O -0.0045 0.0047 0.0011 2913 PRO 81 CB -0.0034 0.0086 -0.0023 2914 PRO 81 CG -0.0036 0.0075 -0.0015 2915 PRO 81 CD -0.0022 0.0053 -0.0016 2916 PRO 81 HA -0.0020 0.0071 -0.0029 2917 PRO 81 HB3 -0.0025 0.0093 -0.0037 2918 PRO 81 HB2 -0.0047 0.0097 -0.0016 2919 PRO 81 HG3 -0.0034 0.0084 -0.0022 2920 PRO 81 HG2 -0.0048 0.0073 -0.0001 2921 PRO 81 HD2 -0.0027 0.0041 -0.0004 2922 PRO 81 HD3 -0.0011 0.0053 -0.0028 2923 ILE 82 N -0.0051 0.0076 0.0000 2924 ILE 82 CA -0.0067 0.0077 0.0018 2925 ILE 82 C -0.0079 0.0100 0.0017 2926 ILE 82 O -0.0074 0.0115 0.0002 2927 ILE 82 CB -0.0068 0.0068 0.0024 2928 ILE 82 CG1 -0.0061 0.0079 0.0010 2929 ILE 82 CG2 -0.0058 0.0044 0.0027 2930 ILE 82 CD1 -0.0066 0.0075 0.0017 2931 ILE 82 H -0.0046 0.0086 -0.0011 2932 ILE 82 HA -0.0072 0.0069 0.0027 2933 ILE 82 HB -0.0081 0.0071 0.0036 2934 ILE 82 HG13 -0.0067 0.0096 0.0006 2935 ILE 82 HG12 -0.0048 0.0075 -0.0002 2936 ILE 82 HG21 -0.0059 0.0038 0.0031 2937 ILE 82 HG22 -0.0064 0.0037 0.0037 2938 ILE 82 HG23 -0.0045 0.0041 0.0015 2939 ILE 82 HD11 -0.0061 0.0083 0.0007 2940 ILE 82 HD12 -0.0079 0.0080 0.0029 2941 ILE 82 HD13 -0.0060 0.0058 0.0021 2942 ASN 83 N -0.0126 0.0123 0.0029 2943 ASN 83 CA -0.0136 0.0136 0.0028 2944 ASN 83 C -0.0138 0.0134 0.0030 2945 ASN 83 O -0.0140 0.0122 0.0036 2946 ASN 83 CB -0.0150 0.0138 0.0035 2947 ASN 83 CG -0.0149 0.0140 0.0033 2948 ASN 83 OD1 -0.0152 0.0130 0.0039 2949 ASN 83 ND2 -0.0144 0.0151 0.0026 2950 ASN 83 H -0.0130 0.0114 0.0035 2951 ASN 83 HA -0.0131 0.0146 0.0021 2952 ASN 83 HB3 -0.0158 0.0147 0.0034 2953 ASN 83 HB2 -0.0155 0.0128 0.0042 2954 ASN 83 HD22 -0.0143 0.0153 0.0024 2955 ASN 83 HD21 -0.0141 0.0159 0.0021 2956 MET 84 N -0.0138 0.0146 0.0025 2957 MET 84 CA -0.0140 0.0145 0.0026 2958 MET 84 C -0.0150 0.0159 0.0025 2959 MET 84 O -0.0152 0.0171 0.0021 2960 MET 84 CB -0.0125 0.0144 0.0019 2961 MET 84 CG -0.0114 0.0130 0.0019 2962 MET 84 SD -0.0098 0.0128 0.0012 2963 MET 84 CE -0.0104 0.0121 0.0018 2964 MET 84 H -0.0137 0.0156 0.0020 2965 MET 84 HA -0.0144 0.0135 0.0032 2966 MET 84 HB3 -0.0127 0.0144 0.0020 2967 MET 84 HB2 -0.0120 0.0154 0.0012 2968 MET 84 HG3 -0.0111 0.0131 0.0018 2969 MET 84 HG2 -0.0119 0.0120 0.0026 2970 MET 84 HE1 -0.0095 0.0119 0.0015 2971 MET 84 HE2 -0.0112 0.0129 0.0019 2972 MET 84 HE3 -0.0107 0.0110 0.0025 2973 LEU 85 N -0.0148 0.0163 -0.0001 2974 LEU 85 CA -0.0140 0.0137 -0.0004 2975 LEU 85 C -0.0137 0.0120 0.0014 2976 LEU 85 O -0.0137 0.0121 0.0012 2977 LEU 85 CB -0.0135 0.0129 -0.0033 2978 LEU 85 CG -0.0127 0.0106 -0.0042 2979 LEU 85 CD1 -0.0129 0.0110 -0.0039 2980 LEU 85 CD2 -0.0122 0.0099 -0.0070 2981 LEU 85 H -0.0149 0.0168 -0.0007 2982 LEU 85 HA -0.0140 0.0135 0.0003 2983 LEU 85 HB3 -0.0133 0.0127 -0.0039 2984 LEU 85 HB2 -0.0139 0.0146 -0.0046 2985 LEU 85 HG -0.0123 0.0089 -0.0028 2986 LEU 85 HD11 -0.0123 0.0093 -0.0044 2987 LEU 85 HD12 -0.0132 0.0114 -0.0018 2988 LEU 85 HD13 -0.0132 0.0127 -0.0051 2989 LEU 85 HD21 -0.0116 0.0082 -0.0076 2990 LEU 85 HD22 -0.0126 0.0115 -0.0084 2991 LEU 85 HD23 -0.0121 0.0095 -0.0072 2992 TYR 86 N -0.0134 0.0105 0.0032 2993 TYR 86 CA -0.0131 0.0091 0.0053 2994 TYR 86 C -0.0125 0.0067 0.0063 2995 TYR 86 O -0.0123 0.0063 0.0058 2996 TYR 86 CB -0.0139 0.0109 0.0077 2997 TYR 86 CG -0.0144 0.0119 0.0089 2998 TYR 86 CD1 -0.0150 0.0142 0.0080 2999 TYR 86 CD2 -0.0141 0.0105 0.0110 3000 TYR 86 CE1 -0.0153 0.0151 0.0091 3001 TYR 86 CE2 -0.0145 0.0114 0.0121 3002 TYR 86 CZ -0.0151 0.0137 0.0112 3003 TYR 86 OH -0.0155 0.0146 0.0123 3004 TYR 86 H -0.0133 0.0103 0.0032 3005 TYR 86 HA -0.0129 0.0085 0.0045 3006 TYR 86 HB3 -0.0144 0.0125 0.0070 3007 TYR 86 HB2 -0.0138 0.0099 0.0092 3008 TYR 86 HD1 -0.0151 0.0153 0.0063 3009 TYR 86 HD2 -0.0137 0.0087 0.0118 3010 TYR 86 HE1 -0.0158 0.0169 0.0083 3011 TYR 86 HE2 -0.0143 0.0103 0.0138 3012 TYR 86 HH -0.0157 0.0156 0.0110 3013 PHE 87 N -0.0125 0.0053 0.0102 3014 PHE 87 CA -0.0104 0.0003 0.0138 3015 PHE 87 C -0.0134 0.0005 0.0199 3016 PHE 87 O -0.0161 0.0028 0.0217 3017 PHE 87 CB -0.0078 -0.0024 0.0127 3018 PHE 87 CG -0.0043 -0.0036 0.0072 3019 PHE 87 CD1 -0.0009 -0.0075 0.0064 3020 PHE 87 CD2 -0.0044 -0.0008 0.0028 3021 PHE 87 CE1 0.0024 -0.0087 0.0013 3022 PHE 87 CE2 -0.0011 -0.0019 -0.0023 3023 PHE 87 CZ 0.0023 -0.0059 -0.0031 3024 PHE 87 H -0.0134 0.0070 0.0091 3025 PHE 87 HA -0.0085 -0.0016 0.0129 3026 PHE 87 HB3 -0.0068 -0.0058 0.0161 3027 PHE 87 HB2 -0.0097 -0.0002 0.0131 3028 PHE 87 HD1 -0.0007 -0.0098 0.0098 3029 PHE 87 HD2 -0.0070 0.0023 0.0033 3030 PHE 87 HE1 0.0050 -0.0118 0.0007 3031 PHE 87 HE2 -0.0012 0.0003 -0.0057 3032 PHE 87 HZ 0.0048 -0.0067 -0.0071 3033 ASN 88 N -0.0129 -0.0021 0.0231 3034 ASN 88 CA -0.0153 -0.0027 0.0291 3035 ASN 88 C -0.0135 -0.0067 0.0319 3036 ASN 88 O -0.0106 -0.0087 0.0290 3037 ASN 88 CB -0.0157 -0.0037 0.0316 3038 ASN 88 CG -0.0117 -0.0085 0.0311 3039 ASN 88 OD1 -0.0087 -0.0116 0.0295 3040 ASN 88 ND2 -0.0118 -0.0092 0.0324 3041 ASN 88 H -0.0108 -0.0038 0.0213 3042 ASN 88 HA -0.0183 0.0008 0.0298 3043 ASN 88 HB3 -0.0171 -0.0007 0.0296 3044 ASN 88 HB2 -0.0178 -0.0037 0.0360 3045 ASN 88 HD22 -0.0093 -0.0123 0.0321 3046 ASN 88 HD21 -0.0144 -0.0066 0.0337 3047 ASP 89 N -0.0212 -0.0112 0.0461 3048 ASP 89 CA -0.0181 -0.0171 0.0508 3049 ASP 89 C -0.0103 -0.0247 0.0493 3050 ASP 89 O -0.0063 -0.0291 0.0494 3051 ASP 89 CB -0.0223 -0.0178 0.0611 3052 ASP 89 CG -0.0292 -0.0114 0.0631 3053 ASP 89 OD1 -0.0300 -0.0074 0.0570 3054 ASP 89 OD2 -0.0339 -0.0103 0.0707 3055 ASP 89 H -0.0256 -0.0085 0.0499 3056 ASP 89 HA -0.0185 -0.0153 0.0481 3057 ASP 89 HB3 -0.0192 -0.0231 0.0648 3058 ASP 89 HB2 -0.0233 -0.0181 0.0636 3059 LYS 90 N -0.0082 -0.0263 0.0481 3060 LYS 90 CA -0.0009 -0.0334 0.0465 3061 LYS 90 C 0.0035 -0.0329 0.0364 3062 LYS 90 O 0.0097 -0.0381 0.0335 3063 LYS 90 CB -0.0003 -0.0355 0.0493 3064 LYS 90 CG -0.0041 -0.0366 0.0594 3065 LYS 90 CD -0.0061 -0.0351 0.0605 3066 LYS 90 CE -0.0079 -0.0382 0.0703 3067 LYS 90 NZ -0.0072 -0.0392 0.0708 3068 LYS 90 H -0.0117 -0.0226 0.0482 3069 LYS 90 HA 0.0012 -0.0378 0.0506 3070 LYS 90 HB3 0.0052 -0.0406 0.0476 3071 LYS 90 HB2 -0.0022 -0.0313 0.0451 3072 LYS 90 HG3 -0.0089 -0.0328 0.0619 3073 LYS 90 HG2 -0.0007 -0.0424 0.0633 3074 LYS 90 HD3 -0.0017 -0.0375 0.0561 3075 LYS 90 HD2 -0.0105 -0.0291 0.0581 3076 LYS 90 HE3 -0.0133 -0.0344 0.0742 3077 LYS 90 HE2 -0.0044 -0.0436 0.0734 3078 LYS 90 HZ1 -0.0022 -0.0428 0.0673 3079 LYS 90 HZ2 -0.0085 -0.0413 0.0774 3080 LYS 90 HZ3 -0.0105 -0.0342 0.0680 3081 GLN 91 N -0.0022 -0.0234 0.0312 3082 GLN 91 CA 0.0006 -0.0221 0.0227 3083 GLN 91 C 0.0028 -0.0221 0.0175 3084 GLN 91 O 0.0070 -0.0240 0.0111 3085 GLN 91 CB 0.0053 -0.0277 0.0213 3086 GLN 91 CG 0.0034 -0.0282 0.0264 3087 GLN 91 CD -0.0011 -0.0213 0.0252 3088 GLN 91 OE1 -0.0016 -0.0167 0.0188 3089 GLN 91 NE2 -0.0044 -0.0204 0.0313 3090 GLN 91 H -0.0062 -0.0195 0.0341 3091 GLN 91 HA -0.0024 -0.0169 0.0210 3092 GLN 91 HB3 0.0072 -0.0265 0.0149 3093 GLN 91 HB2 0.0086 -0.0329 0.0224 3094 GLN 91 HG3 0.0070 -0.0323 0.0251 3095 GLN 91 HG2 0.0020 -0.0301 0.0328 3096 GLN 91 HE22 -0.0075 -0.0159 0.0309 3097 GLN 91 HE21 -0.0038 -0.0243 0.0365 3098 GLN 92 N 0.0001 -0.0200 0.0204 3099 GLN 92 CA 0.0014 -0.0189 0.0156 3100 GLN 92 C -0.0016 -0.0114 0.0101 3101 GLN 92 O -0.0063 -0.0064 0.0124 3102 GLN 92 CB -0.0002 -0.0200 0.0210 3103 GLN 92 CG 0.0028 -0.0274 0.0265 3104 GLN 92 CD 0.0004 -0.0279 0.0328 3105 GLN 92 OE1 -0.0046 -0.0230 0.0361 3106 GLN 92 NE2 0.0040 -0.0339 0.0345 3107 GLN 92 H -0.0030 -0.0191 0.0260 3108 GLN 92 HA 0.0058 -0.0228 0.0118 3109 GLN 92 HB3 0.0006 -0.0189 0.0173 3110 GLN 92 HB2 -0.0046 -0.0161 0.0247 3111 GLN 92 HG3 0.0026 -0.0289 0.0295 3112 GLN 92 HG2 0.0072 -0.0313 0.0229 3113 GLN 92 HE22 0.0027 -0.0346 0.0387 3114 GLN 92 HE21 0.0081 -0.0378 0.0316 3115 ILE 93 N -0.0048 -0.0080 0.0061 3116 ILE 93 CA -0.0061 -0.0039 0.0031 3117 ILE 93 C -0.0078 -0.0001 0.0042 3118 ILE 93 O -0.0076 -0.0004 0.0033 3119 ILE 93 CB -0.0051 -0.0048 -0.0024 3120 ILE 93 CG1 -0.0034 -0.0087 -0.0035 3121 ILE 93 CG2 -0.0066 -0.0005 -0.0054 3122 ILE 93 CD1 -0.0021 -0.0106 -0.0086 3123 ILE 93 H -0.0035 -0.0106 0.0046 3124 ILE 93 HA -0.0067 -0.0029 0.0041 3125 ILE 93 HB -0.0046 -0.0058 -0.0034 3126 ILE 93 HG13 -0.0026 -0.0115 -0.0008 3127 ILE 93 HG12 -0.0039 -0.0076 -0.0032 3128 ILE 93 HG21 -0.0058 -0.0012 -0.0093 3129 ILE 93 HG22 -0.0077 0.0022 -0.0046 3130 ILE 93 HG23 -0.0071 0.0006 -0.0044 3131 ILE 93 HD11 -0.0009 -0.0133 -0.0092 3132 ILE 93 HD12 -0.0015 -0.0119 -0.0089 3133 ILE 93 HD13 -0.0029 -0.0078 -0.0114 3134 ILE 94 N -0.0095 0.0035 0.0064 3135 ILE 94 CA -0.0112 0.0073 0.0078 3136 ILE 94 C -0.0128 0.0118 0.0053 3137 ILE 94 O -0.0133 0.0130 0.0051 3138 ILE 94 CB -0.0121 0.0078 0.0135 3139 ILE 94 CG1 -0.0106 0.0034 0.0162 3140 ILE 94 CG2 -0.0139 0.0118 0.0149 3141 ILE 94 CD1 -0.0099 0.0019 0.0154 3142 ILE 94 H -0.0097 0.0037 0.0070 3143 ILE 94 HA -0.0108 0.0066 0.0068 3144 ILE 94 HB -0.0125 0.0085 0.0145 3145 ILE 94 HG13 -0.0112 0.0037 0.0202 3146 ILE 94 HG12 -0.0093 0.0006 0.0153 3147 ILE 94 HG21 -0.0145 0.0121 0.0189 3148 ILE 94 HG22 -0.0150 0.0150 0.0131 3149 ILE 94 HG23 -0.0135 0.0113 0.0139 3150 ILE 94 HD11 -0.0088 -0.0012 0.0175 3151 ILE 94 HD12 -0.0111 0.0046 0.0165 3152 ILE 94 HD13 -0.0092 0.0014 0.0114 3153 TYR 95 N -0.0150 0.0173 0.0025 3154 TYR 95 CA -0.0158 0.0175 0.0022 3155 TYR 95 C -0.0149 0.0192 0.0029 3156 TYR 95 O -0.0147 0.0208 0.0033 3157 TYR 95 CB -0.0179 0.0179 0.0012 3158 TYR 95 CG -0.0187 0.0184 0.0009 3159 TYR 95 CD1 -0.0192 0.0169 0.0003 3160 TYR 95 CD2 -0.0191 0.0205 0.0011 3161 TYR 95 CE1 -0.0200 0.0174 0.0000 3162 TYR 95 CE2 -0.0199 0.0209 0.0007 3163 TYR 95 CZ -0.0204 0.0194 0.0002 3164 TYR 95 OH -0.0212 0.0198 -0.0001 3165 TYR 95 H -0.0155 0.0183 0.0024 3166 TYR 95 HA -0.0154 0.0161 0.0021 3167 TYR 95 HB3 -0.0182 0.0191 0.0012 3168 TYR 95 HB2 -0.0185 0.0166 0.0006 3169 TYR 95 HD1 -0.0190 0.0153 0.0002 3170 TYR 95 HD2 -0.0188 0.0217 0.0015 3171 TYR 95 HE1 -0.0204 0.0162 -0.0004 3172 TYR 95 HE2 -0.0202 0.0225 0.0009 3173 TYR 95 HH -0.0214 0.0186 -0.0004 3174 GLY 96 N -0.0143 0.0189 0.0031 3175 GLY 96 CA -0.0135 0.0205 0.0038 3176 GLY 96 C -0.0136 0.0201 0.0037 3177 GLY 96 O -0.0135 0.0184 0.0035 3178 GLY 96 H -0.0145 0.0175 0.0028 3179 GLY 96 HA3 -0.0121 0.0205 0.0045 3180 GLY 96 HA2 -0.0142 0.0219 0.0038 3181 LYS 97 N -0.0120 0.0184 0.0002 3182 LYS 97 CA -0.0106 0.0166 0.0004 3183 LYS 97 C -0.0083 0.0164 -0.0005 3184 LYS 97 O -0.0073 0.0179 -0.0017 3185 LYS 97 CB -0.0106 0.0169 0.0003 3186 LYS 97 CG -0.0106 0.0148 0.0012 3187 LYS 97 CD -0.0099 0.0151 0.0008 3188 LYS 97 CE -0.0079 0.0162 -0.0006 3189 LYS 97 NZ -0.0076 0.0169 -0.0010 3190 LYS 97 H -0.0122 0.0199 -0.0004 3191 LYS 97 HA -0.0112 0.0151 0.0014 3192 LYS 97 HB3 -0.0093 0.0177 -0.0007 3193 LYS 97 HB2 -0.0121 0.0181 0.0004 3194 LYS 97 HG3 -0.0122 0.0143 0.0022 3195 LYS 97 HG2 -0.0094 0.0135 0.0013 3196 LYS 97 HD3 -0.0113 0.0161 0.0010 3197 LYS 97 HD2 -0.0096 0.0135 0.0014 3198 LYS 97 HE3 -0.0065 0.0150 -0.0007 3199 LYS 97 HE2 -0.0081 0.0176 -0.0011 3200 LYS 97 HZ1 -0.0089 0.0179 -0.0010 3201 LYS 97 HZ2 -0.0062 0.0176 -0.0020 3202 LYS 97 HZ3 -0.0074 0.0155 -0.0005 3203 ILE 98 N -0.0075 0.0146 0.0000 3204 ILE 98 CA -0.0054 0.0142 -0.0008 3205 ILE 98 C -0.0036 0.0128 -0.0009 3206 ILE 98 O -0.0037 0.0108 0.0001 3207 ILE 98 CB -0.0055 0.0132 -0.0002 3208 ILE 98 CG1 -0.0074 0.0145 -0.0000 3209 ILE 98 CG2 -0.0034 0.0130 -0.0011 3210 ILE 98 CD1 -0.0072 0.0168 -0.0012 3211 ILE 98 H -0.0084 0.0133 0.0010 3212 ILE 98 HA -0.0049 0.0158 -0.0017 3213 ILE 98 HB -0.0059 0.0116 0.0007 3214 ILE 98 HG13 -0.0076 0.0137 0.0005 3215 ILE 98 HG12 -0.0090 0.0145 0.0007 3216 ILE 98 HG21 -0.0035 0.0123 -0.0007 3217 ILE 98 HG22 -0.0021 0.0120 -0.0012 3218 ILE 98 HG23 -0.0029 0.0146 -0.0021 3219 ILE 98 HD11 -0.0086 0.0176 -0.0010 3220 ILE 98 HD12 -0.0057 0.0168 -0.0019 3221 ILE 98 HD13 -0.0070 0.0177 -0.0017 3222 PRO 99 N -0.0009 0.0109 -0.0044 3223 PRO 99 CA 0.0006 0.0086 -0.0051 3224 PRO 99 C 0.0020 0.0070 -0.0060 3225 PRO 99 O 0.0023 0.0081 -0.0069 3226 PRO 99 CB 0.0016 0.0098 -0.0069 3227 PRO 99 CG 0.0003 0.0126 -0.0066 3228 PRO 99 CD -0.0008 0.0135 -0.0057 3229 PRO 99 HA -0.0000 0.0073 -0.0037 3230 PRO 99 HB3 0.0019 0.0087 -0.0067 3231 PRO 99 HB2 0.0029 0.0100 -0.0085 3232 PRO 99 HG3 -0.0007 0.0125 -0.0054 3233 PRO 99 HG2 0.0011 0.0139 -0.0082 3234 PRO 99 HD2 0.0001 0.0143 -0.0071 3235 PRO 99 HD3 -0.0022 0.0148 -0.0046 3236 GLY 100 N 0.0029 0.0044 -0.0059 3237 GLY 100 CA 0.0044 0.0027 -0.0070 3238 GLY 100 C 0.0038 0.0022 -0.0060 3239 GLY 100 O 0.0049 0.0021 -0.0073 3240 GLY 100 H 0.0025 0.0035 -0.0050 3241 GLY 100 HA3 0.0055 0.0036 -0.0087 3242 GLY 100 HA2 0.0051 0.0008 -0.0069 3243 MET 101 N 0.0017 0.0035 -0.0057 3244 MET 101 CA 0.0010 0.0034 -0.0045 3245 MET 101 C 0.0016 0.0020 -0.0033 3246 MET 101 O 0.0015 0.0017 -0.0027 3247 MET 101 CB -0.0004 0.0043 -0.0037 3248 MET 101 CG -0.0012 0.0058 -0.0046 3249 MET 101 SD -0.0014 0.0063 -0.0049 3250 MET 101 CE -0.0025 0.0061 -0.0031 3251 MET 101 H 0.0016 0.0035 -0.0054 3252 MET 101 HA 0.0011 0.0038 -0.0051 3253 MET 101 HB3 -0.0009 0.0041 -0.0026 3254 MET 101 HB2 -0.0004 0.0041 -0.0033 3255 MET 101 HG3 -0.0021 0.0064 -0.0041 3256 MET 101 HG2 -0.0007 0.0061 -0.0057 3257 MET 101 HE1 -0.0028 0.0064 -0.0031 3258 MET 101 HE2 -0.0034 0.0067 -0.0027 3259 MET 101 HE3 -0.0021 0.0051 -0.0023 3260 VAL 102 N 0.0021 0.0012 -0.0030 3261 VAL 102 CA 0.0027 -0.0001 -0.0019 3262 VAL 102 C 0.0042 -0.0011 -0.0026 3263 VAL 102 O 0.0046 -0.0010 -0.0035 3264 VAL 102 CB 0.0021 -0.0004 -0.0006 3265 VAL 102 CG1 0.0027 -0.0018 0.0005 3266 VAL 102 CG2 0.0006 0.0005 0.0002 3267 VAL 102 H 0.0022 0.0016 -0.0035 3268 VAL 102 HA 0.0025 -0.0003 -0.0014 3269 VAL 102 HB 0.0022 -0.0001 -0.0012 3270 VAL 102 HG11 0.0022 -0.0020 0.0014 3271 VAL 102 HG12 0.0037 -0.0024 -0.0001 3272 VAL 102 HG13 0.0026 -0.0021 0.0010 3273 VAL 102 HG21 0.0002 0.0004 0.0011 3274 VAL 102 HG22 0.0005 0.0003 0.0007 3275 VAL 102 HG23 0.0002 0.0016 -0.0006 3276 VAL 103 N 0.0058 -0.0017 -0.0041 3277 VAL 103 CA 0.0066 -0.0026 -0.0044 3278 VAL 103 C 0.0071 -0.0033 -0.0036 3279 VAL 103 O 0.0070 -0.0034 -0.0026 3280 VAL 103 CB 0.0068 -0.0028 -0.0046 3281 VAL 103 CG1 0.0077 -0.0037 -0.0048 3282 VAL 103 CG2 0.0065 -0.0022 -0.0057 3283 VAL 103 H 0.0056 -0.0015 -0.0036 3284 VAL 103 HA 0.0068 -0.0026 -0.0052 3285 VAL 103 HB 0.0066 -0.0027 -0.0039 3286 VAL 103 HG11 0.0078 -0.0039 -0.0050 3287 VAL 103 HG12 0.0079 -0.0042 -0.0041 3288 VAL 103 HG13 0.0079 -0.0039 -0.0056 3289 VAL 103 HG21 0.0067 -0.0024 -0.0058 3290 VAL 103 HG22 0.0067 -0.0023 -0.0064 3291 VAL 103 HG23 0.0059 -0.0015 -0.0055 3292 ASP 104 N 0.0076 -0.0038 -0.0039 3293 ASP 104 CA 0.0080 -0.0045 -0.0032 3294 ASP 104 C 0.0088 -0.0053 -0.0033 3295 ASP 104 O 0.0091 -0.0059 -0.0024 3296 ASP 104 CB 0.0081 -0.0045 -0.0034 3297 ASP 104 CG 0.0074 -0.0037 -0.0033 3298 ASP 104 OD1 0.0069 -0.0032 -0.0026 3299 ASP 104 OD2 0.0074 -0.0035 -0.0040 3300 ASP 104 H 0.0076 -0.0037 -0.0047 3301 ASP 104 HA 0.0078 -0.0043 -0.0023 3302 ASP 104 HB3 0.0085 -0.0051 -0.0029 3303 ASP 104 HB2 0.0085 -0.0047 -0.0043 3304 ARG 105 N 0.0092 -0.0046 -0.0058 3305 ARG 105 CA 0.0096 -0.0049 -0.0058 3306 ARG 105 C 0.0092 -0.0048 -0.0063 3307 ARG 105 O 0.0088 -0.0047 -0.0068 3308 ARG 105 CB 0.0101 -0.0055 -0.0061 3309 ARG 105 CG 0.0105 -0.0059 -0.0063 3310 ARG 105 CD 0.0110 -0.0064 -0.0066 3311 ARG 105 NE 0.0112 -0.0064 -0.0063 3312 ARG 105 CZ 0.0113 -0.0068 -0.0066 3313 ARG 105 NH1 0.0114 -0.0071 -0.0073 3314 ARG 105 NH2 0.0115 -0.0067 -0.0063 3315 ARG 105 H 0.0089 -0.0044 -0.0062 3316 ARG 105 HA 0.0098 -0.0048 -0.0053 3317 ARG 105 HB3 0.0099 -0.0056 -0.0066 3318 ARG 105 HB2 0.0104 -0.0055 -0.0058 3319 ARG 105 HG3 0.0108 -0.0059 -0.0058 3320 ARG 105 HG2 0.0103 -0.0059 -0.0067 3321 ARG 105 HD3 0.0114 -0.0067 -0.0065 3322 ARG 105 HD2 0.0108 -0.0066 -0.0072 3323 ARG 105 HE 0.0112 -0.0062 -0.0058 3324 ARG 105 HH12 0.0115 -0.0073 -0.0076 3325 ARG 105 HH11 0.0112 -0.0071 -0.0075 3326 ARG 105 HH22 0.0116 -0.0070 -0.0066 3327 ARG 105 HH21 0.0115 -0.0065 -0.0058 3328 CYS 106 N 0.0094 -0.0049 -0.0061 3329 CYS 106 CA 0.0091 -0.0048 -0.0065 3330 CYS 106 C 0.0096 -0.0053 -0.0068 3331 CYS 106 O 0.0101 -0.0056 -0.0065 3332 CYS 106 CB 0.0089 -0.0044 -0.0061 3333 CYS 106 SG 0.0083 -0.0037 -0.0058 3334 CYS 106 H 0.0098 -0.0050 -0.0057 3335 CYS 106 HA 0.0087 -0.0047 -0.0070 3336 CYS 106 HB3 0.0087 -0.0044 -0.0063 3337 CYS 106 HB2 0.0092 -0.0045 -0.0056 3338 GLY 107 N 0.0079 -0.0046 -0.0095 3339 GLY 107 CA 0.0075 -0.0048 -0.0095 3340 GLY 107 C 0.0070 -0.0048 -0.0097 3341 GLY 107 O 0.0070 -0.0047 -0.0097 3342 GLY 107 H 0.0079 -0.0046 -0.0095 3343 GLY 107 HA3 0.0076 -0.0052 -0.0094 3344 GLY 107 HA2 0.0076 -0.0045 -0.0096 3345 CYS 108 N 0.0066 -0.0049 -0.0097 3346 CYS 108 CA 0.0060 -0.0049 -0.0098 3347 CYS 108 C 0.0058 -0.0054 -0.0097 3348 CYS 108 O 0.0058 -0.0058 -0.0096 3349 CYS 108 CB 0.0057 -0.0046 -0.0100 3350 CYS 108 SG 0.0058 -0.0040 -0.0102 3351 CYS 108 H 0.0066 -0.0050 -0.0097 3352 CYS 108 HA 0.0060 -0.0047 -0.0099 3353 CYS 108 HB3 0.0053 -0.0047 -0.0100 3354 CYS 108 HB2 0.0057 -0.0048 -0.0099 3355 SER 109 N 0.0058 -0.0049 -0.0105 3356 SER 109 CA 0.0057 -0.0053 -0.0102 3357 SER 109 C 0.0053 -0.0054 -0.0099 3358 SER 109 O 0.0052 -0.0053 -0.0100 3359 SER 109 CB 0.0060 -0.0058 -0.0102 3360 SER 109 OG 0.0064 -0.0057 -0.0105 3361 SER 109 OXT 0.0049 -0.0055 -0.0097 3362 SER 109 H 0.0059 -0.0049 -0.0106 3363 SER 109 HA 0.0056 -0.0053 -0.0102 3364 SER 109 HB3 0.0059 -0.0061 -0.0100 3365 SER 109 HB2 0.0061 -0.0058 -0.0102 3366 SER 109 HG 0.0065 -0.0055 -0.0107