1 LYS 1 N 0.0102 -0.0083 -0.0032 2 LYS 1 CA 0.0123 -0.0092 -0.0028 3 LYS 1 C 0.0162 -0.0078 0.0033 4 LYS 1 O 0.0149 -0.0048 0.0076 5 LYS 1 CB 0.0068 -0.0068 -0.0037 6 LYS 1 CG 0.0073 -0.0063 -0.0023 7 LYS 1 CD 0.0014 -0.0038 -0.0034 8 LYS 1 CE 0.0019 -0.0032 -0.0018 9 LYS 1 NZ -0.0037 -0.0013 -0.0037 10 LYS 1 H1 0.0077 -0.0092 -0.0072 11 LYS 1 H2 0.0137 -0.0097 -0.0024 12 LYS 1 H3 0.0078 -0.0054 -0.0001 13 LYS 1 HA 0.0148 -0.0123 -0.0062 14 LYS 1 HB3 0.0037 -0.0039 -0.0014 15 LYS 1 HB2 0.0042 -0.0079 -0.0082 16 LYS 1 HG3 0.0101 -0.0092 -0.0049 17 LYS 1 HG2 0.0096 -0.0050 0.0023 18 LYS 1 HD3 -0.0015 -0.0009 -0.0009 19 LYS 1 HD2 -0.0008 -0.0052 -0.0080 20 LYS 1 HE3 0.0053 -0.0061 -0.0038 21 LYS 1 HE2 0.0035 -0.0014 0.0029 22 LYS 1 HZ1 -0.0031 -0.0012 -0.0029 23 LYS 1 HZ2 -0.0053 -0.0029 -0.0081 24 LYS 1 HZ3 -0.0067 0.0014 -0.0016 25 VAL 2 N 0.0148 -0.0136 0.0020 26 VAL 2 CA 0.0176 -0.0122 0.0061 27 VAL 2 C 0.0144 -0.0104 0.0044 28 VAL 2 O 0.0137 -0.0137 0.0008 29 VAL 2 CB 0.0229 -0.0167 0.0077 30 VAL 2 CG1 0.0256 -0.0148 0.0122 31 VAL 2 CG2 0.0260 -0.0185 0.0093 32 VAL 2 H 0.0148 -0.0173 -0.0012 33 VAL 2 HA 0.0179 -0.0086 0.0095 34 VAL 2 HB 0.0227 -0.0203 0.0044 35 VAL 2 HG11 0.0295 -0.0181 0.0133 36 VAL 2 HG12 0.0235 -0.0135 0.0111 37 VAL 2 HG13 0.0259 -0.0113 0.0156 38 VAL 2 HG21 0.0298 -0.0218 0.0104 39 VAL 2 HG22 0.0261 -0.0150 0.0126 40 VAL 2 HG23 0.0241 -0.0200 0.0060 41 PHE 3 N 0.0105 -0.0032 0.0101 42 PHE 3 CA 0.0088 -0.0020 0.0096 43 PHE 3 C 0.0110 -0.0029 0.0108 44 PHE 3 O 0.0135 -0.0030 0.0131 45 PHE 3 CB 0.0070 0.0014 0.0113 46 PHE 3 CG 0.0041 0.0027 0.0099 47 PHE 3 CD1 0.0040 0.0029 0.0099 48 PHE 3 CD2 0.0013 0.0038 0.0084 49 PHE 3 CE1 0.0013 0.0041 0.0086 50 PHE 3 CE2 -0.0014 0.0051 0.0070 51 PHE 3 CZ -0.0015 0.0053 0.0072 52 PHE 3 H 0.0107 -0.0018 0.0117 53 PHE 3 HA 0.0073 -0.0029 0.0073 54 PHE 3 HB3 0.0066 0.0022 0.0118 55 PHE 3 HB2 0.0084 0.0022 0.0136 56 PHE 3 HD1 0.0061 0.0020 0.0111 57 PHE 3 HD2 0.0013 0.0038 0.0083 58 PHE 3 HE1 0.0012 0.0042 0.0086 59 PHE 3 HE2 -0.0035 0.0058 0.0058 60 PHE 3 HZ -0.0036 0.0064 0.0062 61 GLU 4 N 0.0089 -0.0072 0.0071 62 GLU 4 CA 0.0082 -0.0067 0.0066 63 GLU 4 C 0.0083 -0.0012 0.0062 64 GLU 4 O 0.0075 0.0016 0.0055 65 GLU 4 CB 0.0042 -0.0089 0.0038 66 GLU 4 CG 0.0040 -0.0142 0.0041 67 GLU 4 CD 0.0001 -0.0166 0.0013 68 GLU 4 OE1 -0.0014 -0.0167 0.0003 69 GLU 4 OE2 -0.0015 -0.0187 0.0004 70 GLU 4 H 0.0066 -0.0077 0.0055 71 GLU 4 HA 0.0104 -0.0083 0.0083 72 GLU 4 HB3 0.0037 -0.0082 0.0034 73 GLU 4 HB2 0.0020 -0.0073 0.0021 74 GLU 4 HG3 0.0051 -0.0150 0.0049 75 GLU 4 HG2 0.0060 -0.0159 0.0057 76 ARG 5 N 0.0078 0.0051 -0.0068 77 ARG 5 CA 0.0085 0.0024 -0.0094 78 ARG 5 C 0.0114 0.0004 -0.0083 79 ARG 5 O 0.0133 -0.0020 -0.0090 80 ARG 5 CB 0.0060 0.0030 -0.0117 81 ARG 5 CG 0.0064 0.0004 -0.0145 82 ARG 5 CD 0.0037 0.0014 -0.0166 83 ARG 5 NE 0.0034 0.0028 -0.0152 84 ARG 5 CZ 0.0046 0.0014 -0.0155 85 ARG 5 NH1 0.0063 -0.0014 -0.0169 86 ARG 5 NH2 0.0041 0.0030 -0.0142 87 ARG 5 H 0.0059 0.0069 -0.0070 88 ARG 5 HA 0.0086 0.0013 -0.0107 89 ARG 5 HB3 0.0057 0.0045 -0.0104 90 ARG 5 HB2 0.0040 0.0043 -0.0126 91 ARG 5 HG3 0.0067 -0.0010 -0.0159 92 ARG 5 HG2 0.0083 -0.0007 -0.0136 93 ARG 5 HD3 0.0018 0.0028 -0.0172 94 ARG 5 HD2 0.0038 -0.0005 -0.0189 95 ARG 5 HE 0.0022 0.0049 -0.0140 96 ARG 5 HH12 0.0072 -0.0024 -0.0170 97 ARG 5 HH11 0.0068 -0.0026 -0.0179 98 ARG 5 HH22 0.0049 0.0020 -0.0143 99 ARG 5 HH21 0.0028 0.0052 -0.0130 100 CYS 6 N 0.0018 0.0009 -0.0032 101 CYS 6 CA 0.0016 0.0003 -0.0019 102 CYS 6 C 0.0014 -0.0007 -0.0016 103 CYS 6 O 0.0012 -0.0016 -0.0009 104 CYS 6 CB 0.0018 0.0012 -0.0009 105 CYS 6 SG 0.0021 0.0022 -0.0010 106 CYS 6 H 0.0020 0.0018 -0.0032 107 CYS 6 HA 0.0015 -0.0002 -0.0021 108 CYS 6 HB3 0.0017 0.0008 0.0001 109 CYS 6 HB2 0.0020 0.0018 -0.0008 110 GLU 7 N 0.0014 -0.0006 0.0069 111 GLU 7 CA 0.0004 -0.0012 0.0062 112 GLU 7 C 0.0003 -0.0007 0.0066 113 GLU 7 O -0.0008 -0.0005 0.0065 114 GLU 7 CB 0.0010 -0.0024 0.0054 115 GLU 7 CG 0.0001 -0.0031 0.0047 116 GLU 7 CD 0.0008 -0.0043 0.0039 117 GLU 7 OE1 0.0021 -0.0045 0.0040 118 GLU 7 OE2 0.0000 -0.0050 0.0032 119 GLU 7 H 0.0022 -0.0010 0.0067 120 GLU 7 HA -0.0006 -0.0011 0.0061 121 GLU 7 HB3 0.0020 -0.0025 0.0055 122 GLU 7 HB2 0.0012 -0.0027 0.0052 123 GLU 7 HG3 -0.0008 -0.0032 0.0045 124 GLU 7 HG2 -0.0002 -0.0027 0.0049 125 LEU 8 N 0.0006 0.0024 0.0053 126 LEU 8 CA 0.0009 0.0032 0.0058 127 LEU 8 C 0.0004 0.0045 0.0059 128 LEU 8 O 0.0001 0.0052 0.0059 129 LEU 8 CB 0.0021 0.0031 0.0066 130 LEU 8 CG 0.0025 0.0039 0.0071 131 LEU 8 CD1 0.0021 0.0037 0.0068 132 LEU 8 CD2 0.0037 0.0037 0.0078 133 LEU 8 H 0.0011 0.0019 0.0055 134 LEU 8 HA 0.0006 0.0030 0.0055 135 LEU 8 HB3 0.0024 0.0032 0.0068 136 LEU 8 HB2 0.0024 0.0021 0.0065 137 LEU 8 HG 0.0022 0.0048 0.0072 138 LEU 8 HD11 0.0024 0.0043 0.0072 139 LEU 8 HD12 0.0012 0.0039 0.0063 140 LEU 8 HD13 0.0023 0.0028 0.0066 141 LEU 8 HD21 0.0040 0.0043 0.0082 142 LEU 8 HD22 0.0040 0.0027 0.0077 143 LEU 8 HD23 0.0039 0.0039 0.0081 144 ALA 9 N -0.0027 -0.0029 -0.0014 145 ALA 9 CA -0.0026 -0.0031 -0.0016 146 ALA 9 C -0.0024 -0.0035 -0.0009 147 ALA 9 O -0.0021 -0.0040 -0.0010 148 ALA 9 CB -0.0029 -0.0024 -0.0018 149 ALA 9 H -0.0029 -0.0024 -0.0014 150 ALA 9 HA -0.0023 -0.0034 -0.0021 151 ALA 9 HB1 -0.0028 -0.0026 -0.0019 152 ALA 9 HB2 -0.0030 -0.0022 -0.0023 153 ALA 9 HB3 -0.0031 -0.0021 -0.0013 154 ARG 10 N -0.0060 -0.0019 0.0105 155 ARG 10 CA -0.0068 -0.0026 0.0114 156 ARG 10 C -0.0066 -0.0041 0.0113 157 ARG 10 O -0.0069 -0.0047 0.0118 158 ARG 10 CB -0.0075 -0.0024 0.0123 159 ARG 10 CG -0.0079 -0.0010 0.0127 160 ARG 10 CD -0.0087 -0.0009 0.0136 161 ARG 10 NE -0.0085 -0.0011 0.0134 162 ARG 10 CZ -0.0082 -0.0002 0.0130 163 ARG 10 NH1 -0.0082 0.0011 0.0129 164 ARG 10 NH2 -0.0080 -0.0005 0.0128 165 ARG 10 H -0.0059 -0.0016 0.0104 166 ARG 10 HA -0.0070 -0.0021 0.0116 167 ARG 10 HB3 -0.0080 -0.0031 0.0129 168 ARG 10 HB2 -0.0073 -0.0027 0.0120 169 ARG 10 HG3 -0.0074 -0.0003 0.0121 170 ARG 10 HG2 -0.0081 -0.0006 0.0129 171 ARG 10 HD3 -0.0091 0.0000 0.0140 172 ARG 10 HD2 -0.0091 -0.0017 0.0142 173 ARG 10 HE -0.0086 -0.0021 0.0135 174 ARG 10 HH12 -0.0080 0.0018 0.0126 175 ARG 10 HH11 -0.0084 0.0013 0.0131 176 ARG 10 HH22 -0.0078 0.0002 0.0125 177 ARG 10 HH21 -0.0080 -0.0015 0.0129 178 THR 11 N -0.0054 -0.0007 0.0135 179 THR 11 CA -0.0057 -0.0007 0.0133 180 THR 11 C -0.0063 -0.0016 0.0131 181 THR 11 O -0.0062 -0.0020 0.0133 182 THR 11 CB -0.0062 0.0001 0.0128 183 THR 11 OG1 -0.0057 0.0010 0.0130 184 THR 11 CG2 -0.0066 0.0002 0.0125 185 THR 11 H -0.0056 -0.0002 0.0133 186 THR 11 HA -0.0053 -0.0006 0.0136 187 THR 11 HB -0.0067 0.0001 0.0125 188 THR 11 HG1 -0.0056 0.0011 0.0130 189 THR 11 HG21 -0.0069 0.0007 0.0122 190 THR 11 HG22 -0.0070 -0.0005 0.0124 191 THR 11 HG23 -0.0061 0.0002 0.0128 192 LEU 12 N -0.0054 0.0009 0.0102 193 LEU 12 CA -0.0047 0.0003 0.0090 194 LEU 12 C -0.0045 0.0000 0.0091 195 LEU 12 O -0.0037 -0.0009 0.0088 196 LEU 12 CB -0.0049 0.0010 0.0075 197 LEU 12 CG -0.0049 0.0011 0.0071 198 LEU 12 CD1 -0.0051 0.0019 0.0057 199 LEU 12 CD2 -0.0040 -0.0001 0.0072 200 LEU 12 H -0.0060 0.0017 0.0099 201 LEU 12 HA -0.0040 -0.0005 0.0091 202 LEU 12 HB3 -0.0043 0.0006 0.0067 203 LEU 12 HB2 -0.0055 0.0018 0.0074 204 LEU 12 HG -0.0054 0.0016 0.0079 205 LEU 12 HD11 -0.0052 0.0020 0.0054 206 LEU 12 HD12 -0.0058 0.0027 0.0057 207 LEU 12 HD13 -0.0046 0.0014 0.0048 208 LEU 12 HD21 -0.0040 0.0001 0.0069 209 LEU 12 HD22 -0.0034 -0.0006 0.0064 210 LEU 12 HD23 -0.0039 -0.0005 0.0083 211 LYS 13 N -0.0084 -0.0056 0.0085 212 LYS 13 CA -0.0070 -0.0060 0.0062 213 LYS 13 C -0.0040 -0.0063 0.0082 214 LYS 13 O -0.0011 -0.0068 0.0067 215 LYS 13 CB -0.0098 -0.0057 0.0050 216 LYS 13 CG -0.0084 -0.0061 0.0025 217 LYS 13 CD -0.0112 -0.0059 -0.0001 218 LYS 13 CE -0.0095 -0.0064 -0.0031 219 LYS 13 NZ -0.0121 -0.0062 -0.0060 220 LYS 13 H -0.0110 -0.0052 0.0093 221 LYS 13 HA -0.0059 -0.0063 0.0039 222 LYS 13 HB3 -0.0110 -0.0053 0.0074 223 LYS 13 HB2 -0.0119 -0.0055 0.0037 224 LYS 13 HG3 -0.0061 -0.0065 0.0011 225 LYS 13 HG2 -0.0075 -0.0061 0.0041 226 LYS 13 HD3 -0.0132 -0.0055 0.0012 227 LYS 13 HD2 -0.0124 -0.0058 -0.0014 228 LYS 13 HE3 -0.0071 -0.0068 -0.0041 229 LYS 13 HE2 -0.0088 -0.0064 -0.0019 230 LYS 13 HZ1 -0.0146 -0.0058 -0.0050 231 LYS 13 HZ2 -0.0117 -0.0064 -0.0073 232 LYS 13 HZ3 -0.0119 -0.0064 -0.0078 233 ARG 14 N -0.0057 -0.0041 0.0178 234 ARG 14 CA -0.0059 -0.0072 0.0203 235 ARG 14 C -0.0028 -0.0102 0.0194 236 ARG 14 O -0.0026 -0.0122 0.0206 237 ARG 14 CB -0.0075 -0.0086 0.0230 238 ARG 14 CG -0.0110 -0.0066 0.0250 239 ARG 14 CD -0.0124 -0.0089 0.0282 240 ARG 14 NE -0.0114 -0.0099 0.0279 241 ARG 14 CZ -0.0127 -0.0080 0.0278 242 ARG 14 NH1 -0.0151 -0.0050 0.0280 243 ARG 14 NH2 -0.0114 -0.0091 0.0273 244 ARG 14 H -0.0065 -0.0035 0.0181 245 ARG 14 HA -0.0073 -0.0064 0.0211 246 ARG 14 HB3 -0.0069 -0.0114 0.0244 247 ARG 14 HB2 -0.0067 -0.0084 0.0220 248 ARG 14 HG3 -0.0117 -0.0042 0.0239 249 ARG 14 HG2 -0.0117 -0.0060 0.0253 250 ARG 14 HD3 -0.0149 -0.0074 0.0296 251 ARG 14 HD2 -0.0119 -0.0112 0.0293 252 ARG 14 HE -0.0096 -0.0123 0.0279 253 ARG 14 HH12 -0.0161 -0.0035 0.0279 254 ARG 14 HH11 -0.0160 -0.0041 0.0283 255 ARG 14 HH22 -0.0122 -0.0078 0.0272 256 ARG 14 HH21 -0.0094 -0.0114 0.0270 257 LEU 15 N -0.0056 -0.0032 0.0196 258 LEU 15 CA -0.0055 -0.0044 0.0188 259 LEU 15 C -0.0054 -0.0073 0.0166 260 LEU 15 O -0.0053 -0.0086 0.0156 261 LEU 15 CB -0.0077 -0.0023 0.0183 262 LEU 15 CG -0.0075 0.0003 0.0207 263 LEU 15 CD1 -0.0100 0.0025 0.0200 264 LEU 15 CD2 -0.0052 -0.0003 0.0223 265 LEU 15 H -0.0074 -0.0020 0.0189 266 LEU 15 HA -0.0036 -0.0046 0.0203 267 LEU 15 HB3 -0.0080 -0.0034 0.0173 268 LEU 15 HB2 -0.0096 -0.0017 0.0171 269 LEU 15 HG -0.0071 0.0013 0.0218 270 LEU 15 HD11 -0.0097 0.0043 0.0217 271 LEU 15 HD12 -0.0117 0.0031 0.0190 272 LEU 15 HD13 -0.0105 0.0015 0.0188 273 LEU 15 HD21 -0.0050 0.0017 0.0239 274 LEU 15 HD22 -0.0055 -0.0013 0.0212 275 LEU 15 HD23 -0.0033 -0.0017 0.0228 276 GLY 16 N -0.0006 -0.0068 0.0107 277 GLY 16 CA 0.0010 -0.0087 0.0073 278 GLY 16 C -0.0008 -0.0089 0.0041 279 GLY 16 O 0.0007 -0.0106 0.0014 280 GLY 16 H -0.0021 -0.0058 0.0113 281 GLY 16 HA3 0.0037 -0.0098 0.0079 282 GLY 16 HA2 0.0012 -0.0091 0.0066 283 MET 17 N -0.0009 -0.0028 0.0027 284 MET 17 CA -0.0027 -0.0031 0.0007 285 MET 17 C -0.0038 -0.0040 -0.0022 286 MET 17 O -0.0047 -0.0045 -0.0042 287 MET 17 CB -0.0054 -0.0019 0.0022 288 MET 17 CG -0.0042 -0.0012 0.0049 289 MET 17 SD -0.0028 -0.0020 0.0036 290 MET 17 CE -0.0059 -0.0009 0.0044 291 MET 17 H -0.0020 -0.0020 0.0042 292 MET 17 HA -0.0012 -0.0037 0.0003 293 MET 17 HB3 -0.0068 -0.0021 0.0007 294 MET 17 HB2 -0.0067 -0.0013 0.0030 295 MET 17 HG3 -0.0061 -0.0002 0.0062 296 MET 17 HG2 -0.0024 -0.0011 0.0062 297 MET 17 HE1 -0.0054 -0.0013 0.0038 298 MET 17 HE2 -0.0062 0.0001 0.0067 299 MET 17 HE3 -0.0080 -0.0009 0.0032 300 ASP 18 N -0.0034 -0.0073 -0.0052 301 ASP 18 CA -0.0051 -0.0076 -0.0088 302 ASP 18 C -0.0023 -0.0089 -0.0118 303 ASP 18 O 0.0003 -0.0095 -0.0118 304 ASP 18 CB -0.0069 -0.0071 -0.0084 305 ASP 18 CG -0.0095 -0.0072 -0.0118 306 ASP 18 OD1 -0.0109 -0.0073 -0.0140 307 ASP 18 OD2 -0.0101 -0.0071 -0.0124 308 ASP 18 H -0.0029 -0.0070 -0.0031 309 ASP 18 HA -0.0073 -0.0073 -0.0096 310 ASP 18 HB3 -0.0048 -0.0076 -0.0080 311 ASP 18 HB2 -0.0085 -0.0063 -0.0059 312 GLY 19 N -0.0021 -0.0081 -0.0131 313 GLY 19 CA -0.0006 -0.0110 -0.0155 314 GLY 19 C 0.0010 -0.0115 -0.0151 315 GLY 19 O 0.0027 -0.0140 -0.0169 316 GLY 19 H -0.0049 -0.0070 -0.0135 317 GLY 19 HA3 0.0015 -0.0122 -0.0157 318 GLY 19 HA2 -0.0028 -0.0120 -0.0177 319 TYR 20 N -0.0047 -0.0078 -0.0044 320 TYR 20 CA -0.0047 -0.0084 -0.0047 321 TYR 20 C -0.0054 -0.0090 -0.0057 322 TYR 20 O -0.0061 -0.0084 -0.0063 323 TYR 20 CB -0.0048 -0.0075 -0.0045 324 TYR 20 CG -0.0047 -0.0081 -0.0046 325 TYR 20 CD1 -0.0040 -0.0085 -0.0038 326 TYR 20 CD2 -0.0054 -0.0083 -0.0054 327 TYR 20 CE1 -0.0038 -0.0091 -0.0039 328 TYR 20 CE2 -0.0053 -0.0089 -0.0055 329 TYR 20 CZ -0.0045 -0.0093 -0.0048 330 TYR 20 OH -0.0044 -0.0099 -0.0049 331 TYR 20 H -0.0048 -0.0069 -0.0042 332 TYR 20 HA -0.0041 -0.0091 -0.0042 333 TYR 20 HB3 -0.0055 -0.0069 -0.0050 334 TYR 20 HB2 -0.0044 -0.0069 -0.0037 335 TYR 20 HD1 -0.0034 -0.0084 -0.0031 336 TYR 20 HD2 -0.0060 -0.0079 -0.0060 337 TYR 20 HE1 -0.0032 -0.0094 -0.0033 338 TYR 20 HE2 -0.0059 -0.0090 -0.0062 339 TYR 20 HH -0.0039 -0.0101 -0.0043 340 ARG 21 N -0.0082 -0.0063 -0.0116 341 ARG 21 CA -0.0080 -0.0046 -0.0064 342 ARG 21 C -0.0052 -0.0070 -0.0030 343 ARG 21 O -0.0037 -0.0074 0.0010 344 ARG 21 CB -0.0081 -0.0041 -0.0052 345 ARG 21 CG -0.0115 -0.0007 -0.0074 346 ARG 21 CD -0.0135 0.0031 -0.0036 347 ARG 21 NE -0.0118 0.0024 0.0004 348 ARG 21 CZ -0.0119 0.0042 0.0051 349 ARG 21 NH1 -0.0144 0.0076 0.0060 350 ARG 21 NH2 -0.0096 0.0025 0.0087 351 ARG 21 H -0.0103 -0.0044 -0.0138 352 ARG 21 HA -0.0103 -0.0016 -0.0058 353 ARG 21 HB3 -0.0075 -0.0034 -0.0012 354 ARG 21 HB2 -0.0063 -0.0068 -0.0065 355 ARG 21 HG3 -0.0112 -0.0016 -0.0088 356 ARG 21 HG2 -0.0128 -0.0001 -0.0106 357 ARG 21 HD3 -0.0160 0.0056 -0.0053 358 ARG 21 HD2 -0.0137 0.0039 -0.0020 359 ARG 21 HE -0.0105 0.0005 -0.0006 360 ARG 21 HH12 -0.0146 0.0090 0.0096 361 ARG 21 HH11 -0.0162 0.0088 0.0033 362 ARG 21 HH22 -0.0097 0.0039 0.0123 363 ARG 21 HH21 -0.0077 -0.0001 0.0079 364 GLY 22 N -0.0036 -0.0243 -0.0210 365 GLY 22 CA -0.0034 -0.0254 -0.0206 366 GLY 22 C -0.0039 -0.0145 -0.0235 367 GLY 22 O -0.0045 -0.0155 -0.0237 368 GLY 22 H 0.0027 -0.0234 -0.0163 369 GLY 22 HA3 -0.0090 -0.0323 -0.0234 370 GLY 22 HA2 0.0030 -0.0292 -0.0148 371 ILE 23 N -0.0005 -0.0020 -0.0128 372 ILE 23 CA -0.0016 -0.0026 -0.0120 373 ILE 23 C -0.0027 -0.0030 -0.0121 374 ILE 23 O -0.0025 -0.0030 -0.0116 375 ILE 23 CB -0.0011 -0.0027 -0.0105 376 ILE 23 CG1 0.0001 -0.0023 -0.0104 377 ILE 23 CG2 -0.0022 -0.0033 -0.0097 378 ILE 23 CD1 0.0008 -0.0023 -0.0090 379 ILE 23 H 0.0001 -0.0019 -0.0123 380 ILE 23 HA -0.0020 -0.0026 -0.0125 381 ILE 23 HB -0.0007 -0.0027 -0.0101 382 ILE 23 HG13 0.0008 -0.0019 -0.0112 383 ILE 23 HG12 -0.0003 -0.0024 -0.0107 384 ILE 23 HG21 -0.0019 -0.0033 -0.0087 385 ILE 23 HG22 -0.0030 -0.0035 -0.0097 386 ILE 23 HG23 -0.0026 -0.0033 -0.0102 387 ILE 23 HD11 0.0016 -0.0020 -0.0090 388 ILE 23 HD12 0.0012 -0.0022 -0.0088 389 ILE 23 HD13 0.0002 -0.0027 -0.0082 390 SER 24 N -0.0020 -0.0000 -0.0204 391 SER 24 CA -0.0046 0.0002 -0.0195 392 SER 24 C -0.0058 -0.0005 -0.0166 393 SER 24 O -0.0052 -0.0010 -0.0157 394 SER 24 CB -0.0070 0.0012 -0.0216 395 SER 24 OG -0.0078 0.0013 -0.0215 396 SER 24 H -0.0020 0.0005 -0.0220 397 SER 24 HA -0.0042 0.0000 -0.0194 398 SER 24 HB3 -0.0062 0.0018 -0.0237 399 SER 24 HB2 -0.0089 0.0014 -0.0210 400 SER 24 HG -0.0096 0.0019 -0.0224 401 LEU 25 N -0.0042 -0.0037 -0.0160 402 LEU 25 CA -0.0054 -0.0038 -0.0135 403 LEU 25 C -0.0072 -0.0031 -0.0138 404 LEU 25 O -0.0073 -0.0034 -0.0122 405 LEU 25 CB -0.0066 -0.0036 -0.0121 406 LEU 25 CG -0.0076 -0.0038 -0.0094 407 LEU 25 CD1 -0.0056 -0.0047 -0.0076 408 LEU 25 CD2 -0.0089 -0.0036 -0.0084 409 LEU 25 H -0.0044 -0.0036 -0.0165 410 LEU 25 HA -0.0039 -0.0045 -0.0122 411 LEU 25 HB3 -0.0082 -0.0029 -0.0133 412 LEU 25 HB2 -0.0053 -0.0040 -0.0123 413 LEU 25 HG -0.0091 -0.0033 -0.0093 414 LEU 25 HD11 -0.0065 -0.0048 -0.0056 415 LEU 25 HD12 -0.0049 -0.0048 -0.0082 416 LEU 25 HD13 -0.0041 -0.0052 -0.0076 417 LEU 25 HD21 -0.0096 -0.0037 -0.0063 418 LEU 25 HD22 -0.0074 -0.0040 -0.0085 419 LEU 25 HD23 -0.0104 -0.0029 -0.0096 420 ALA 26 N -0.0047 -0.0015 -0.0246 421 ALA 26 CA -0.0059 -0.0021 -0.0240 422 ALA 26 C -0.0050 -0.0019 -0.0229 423 ALA 26 O -0.0057 -0.0025 -0.0217 424 ALA 26 CB -0.0069 -0.0023 -0.0256 425 ALA 26 H -0.0046 -0.0011 -0.0259 426 ALA 26 HA -0.0067 -0.0027 -0.0233 427 ALA 26 HB1 -0.0077 -0.0028 -0.0251 428 ALA 26 HB2 -0.0075 -0.0025 -0.0263 429 ALA 26 HB3 -0.0061 -0.0018 -0.0264 430 ASN 27 N -0.0030 0.0019 -0.0181 431 ASN 27 CA -0.0013 0.0027 -0.0154 432 ASN 27 C -0.0008 0.0023 -0.0137 433 ASN 27 O -0.0001 0.0013 -0.0112 434 ASN 27 CB -0.0001 0.0055 -0.0158 435 ASN 27 CG -0.0001 0.0056 -0.0159 436 ASN 27 OD1 0.0002 0.0045 -0.0140 437 ASN 27 ND2 -0.0005 0.0069 -0.0182 438 ASN 27 H -0.0030 0.0033 -0.0198 439 ASN 27 HA -0.0015 0.0014 -0.0143 440 ASN 27 HB3 0.0012 0.0064 -0.0141 441 ASN 27 HB2 -0.0003 0.0067 -0.0176 442 ASN 27 HD22 -0.0005 0.0070 -0.0185 443 ASN 27 HD21 -0.0007 0.0077 -0.0198 444 TRP 28 N -0.0006 0.0019 -0.0052 445 TRP 28 CA -0.0006 0.0020 -0.0050 446 TRP 28 C -0.0007 0.0022 -0.0049 447 TRP 28 O -0.0008 0.0022 -0.0048 448 TRP 28 CB -0.0004 0.0020 -0.0049 449 TRP 28 CG -0.0002 0.0019 -0.0049 450 TRP 28 CD1 -0.0000 0.0018 -0.0050 451 TRP 28 CD2 -0.0001 0.0018 -0.0050 452 TRP 28 NE1 0.0001 0.0017 -0.0050 453 TRP 28 CE2 0.0001 0.0017 -0.0050 454 TRP 28 CE3 -0.0002 0.0019 -0.0049 455 TRP 28 CZ2 0.0002 0.0016 -0.0050 456 TRP 28 CZ3 -0.0001 0.0018 -0.0049 457 TRP 28 CH2 0.0001 0.0017 -0.0050 458 TRP 28 H -0.0005 0.0019 -0.0052 459 TRP 28 HA -0.0006 0.0020 -0.0050 460 TRP 28 HB3 -0.0004 0.0021 -0.0047 461 TRP 28 HB2 -0.0004 0.0020 -0.0049 462 TRP 28 HD1 -0.0001 0.0018 -0.0050 463 TRP 28 HE1 0.0002 0.0016 -0.0051 464 TRP 28 HE3 -0.0003 0.0020 -0.0049 465 TRP 28 HZ2 0.0003 0.0015 -0.0051 466 TRP 28 HZ3 -0.0001 0.0019 -0.0049 467 TRP 28 HH2 0.0002 0.0016 -0.0050 468 MET 29 N 0.0028 0.0018 -0.0128 469 MET 29 CA 0.0016 0.0013 -0.0121 470 MET 29 C 0.0009 0.0010 -0.0115 471 MET 29 O 0.0004 0.0009 -0.0103 472 MET 29 CB 0.0009 0.0008 -0.0130 473 MET 29 CG 0.0014 0.0011 -0.0134 474 MET 29 SD 0.0014 0.0012 -0.0119 475 MET 29 CE -0.0003 0.0004 -0.0116 476 MET 29 H 0.0029 0.0017 -0.0138 477 MET 29 HA 0.0019 0.0015 -0.0112 478 MET 29 HB3 -0.0001 0.0004 -0.0126 479 MET 29 HB2 0.0008 0.0007 -0.0139 480 MET 29 HG3 0.0009 0.0007 -0.0142 481 MET 29 HG2 0.0024 0.0015 -0.0138 482 MET 29 HE1 -0.0004 0.0004 -0.0107 483 MET 29 HE2 -0.0007 0.0001 -0.0125 484 MET 29 HE3 -0.0006 0.0003 -0.0114 485 CYS 30 N -0.0000 0.0024 -0.0141 486 CYS 30 CA -0.0014 0.0013 -0.0120 487 CYS 30 C 0.0004 0.0027 -0.0081 488 CYS 30 O -0.0010 0.0016 -0.0050 489 CYS 30 CB -0.0014 0.0013 -0.0149 490 CYS 30 SG -0.0034 -0.0002 -0.0130 491 CYS 30 H 0.0010 0.0031 -0.0169 492 CYS 30 HA -0.0040 -0.0006 -0.0112 493 CYS 30 HB3 0.0011 0.0032 -0.0157 494 CYS 30 HB2 -0.0025 0.0005 -0.0178 495 LEU 31 N 0.0041 0.0076 -0.0004 496 LEU 31 CA 0.0051 0.0082 0.0013 497 LEU 31 C 0.0047 0.0079 0.0029 498 LEU 31 O 0.0043 0.0077 0.0045 499 LEU 31 CB 0.0068 0.0093 0.0008 500 LEU 31 CG 0.0080 0.0101 0.0024 501 LEU 31 CD1 0.0080 0.0101 0.0031 502 LEU 31 CD2 0.0097 0.0111 0.0019 503 LEU 31 H 0.0047 0.0080 -0.0016 504 LEU 31 HA 0.0049 0.0081 0.0017 505 LEU 31 HB3 0.0070 0.0094 0.0002 506 LEU 31 HB2 0.0072 0.0095 -0.0003 507 LEU 31 HG 0.0076 0.0098 0.0036 508 LEU 31 HD11 0.0089 0.0106 0.0043 509 LEU 31 HD12 0.0068 0.0093 0.0036 510 LEU 31 HD13 0.0084 0.0103 0.0019 511 LEU 31 HD21 0.0105 0.0116 0.0031 512 LEU 31 HD22 0.0101 0.0114 0.0007 513 LEU 31 HD23 0.0096 0.0111 0.0016 514 ALA 32 N 0.0080 0.0094 0.0053 515 ALA 32 CA 0.0074 0.0089 0.0079 516 ALA 32 C 0.0045 0.0074 0.0092 517 ALA 32 O 0.0041 0.0070 0.0120 518 ALA 32 CB 0.0075 0.0090 0.0071 519 ALA 32 H 0.0083 0.0096 0.0032 520 ALA 32 HA 0.0089 0.0096 0.0098 521 ALA 32 HB1 0.0071 0.0087 0.0092 522 ALA 32 HB2 0.0096 0.0101 0.0064 523 ALA 32 HB3 0.0061 0.0084 0.0053 524 LYS 33 N 0.0075 0.0069 0.0022 525 LYS 33 CA 0.0004 0.0024 0.0049 526 LYS 33 C -0.0017 0.0024 0.0114 527 LYS 33 O -0.0049 0.0016 0.0176 528 LYS 33 CB -0.0035 -0.0023 -0.0021 529 LYS 33 CG -0.0108 -0.0071 0.0003 530 LYS 33 CD -0.0153 -0.0098 0.0028 531 LYS 33 CE -0.0222 -0.0139 0.0065 532 LYS 33 NZ -0.0238 -0.0159 0.0035 533 LYS 33 H 0.0090 0.0066 -0.0036 534 LYS 33 HA -0.0006 0.0022 0.0073 535 LYS 33 HB3 -0.0034 -0.0026 -0.0036 536 LYS 33 HB2 -0.0013 -0.0019 -0.0072 537 LYS 33 HG3 -0.0124 -0.0095 -0.0046 538 LYS 33 HG2 -0.0110 -0.0060 0.0050 539 LYS 33 HD3 -0.0132 -0.0073 0.0068 540 LYS 33 HD2 -0.0158 -0.0114 -0.0023 541 LYS 33 HE3 -0.0223 -0.0125 0.0129 542 LYS 33 HE2 -0.0258 -0.0169 0.0053 543 LYS 33 HZ1 -0.0215 -0.0135 0.0061 544 LYS 33 HZ2 -0.0224 -0.0164 -0.0024 545 LYS 33 HZ3 -0.0287 -0.0192 0.0047 546 TRP 34 N -0.0024 0.0045 0.0106 547 TRP 34 CA -0.0038 0.0039 0.0195 548 TRP 34 C 0.0021 0.0096 0.0296 549 TRP 34 O -0.0002 0.0082 0.0393 550 TRP 34 CB -0.0039 0.0034 0.0139 551 TRP 34 CG -0.0118 -0.0039 0.0062 552 TRP 34 CD1 -0.0117 -0.0045 -0.0058 553 TRP 34 CD2 -0.0210 -0.0116 0.0101 554 TRP 34 NE1 -0.0201 -0.0121 -0.0096 555 TRP 34 CE2 -0.0261 -0.0166 -0.0001 556 TRP 34 CE3 -0.0254 -0.0147 0.0212 557 TRP 34 CZ2 -0.0353 -0.0245 0.0003 558 TRP 34 CZ3 -0.0347 -0.0227 0.0215 559 TRP 34 CH2 -0.0395 -0.0275 0.0115 560 TRP 34 H 0.0011 0.0071 0.0030 561 TRP 34 HA -0.0105 -0.0017 0.0231 562 TRP 34 HB3 -0.0045 0.0034 0.0209 563 TRP 34 HB2 0.0022 0.0084 0.0087 564 TRP 34 HD1 -0.0054 0.0006 -0.0108 565 TRP 34 HE1 -0.0212 -0.0136 -0.0183 566 TRP 34 HE3 -0.0216 -0.0109 0.0291 567 TRP 34 HZ2 -0.0388 -0.0281 -0.0077 568 TRP 34 HZ3 -0.0383 -0.0253 0.0299 569 TRP 34 HH2 -0.0467 -0.0336 0.0123 570 GLU 35 N 0.0047 0.0095 0.0143 571 GLU 35 CA 0.0059 0.0100 0.0159 572 GLU 35 C 0.0053 0.0088 0.0171 573 GLU 35 O 0.0058 0.0085 0.0189 574 GLU 35 CB 0.0070 0.0114 0.0151 575 GLU 35 CG 0.0080 0.0128 0.0143 576 GLU 35 CD 0.0091 0.0132 0.0158 577 GLU 35 OE1 0.0093 0.0126 0.0175 578 GLU 35 OE2 0.0099 0.0143 0.0152 579 GLU 35 H 0.0045 0.0099 0.0129 580 GLU 35 HA 0.0065 0.0101 0.0168 581 GLU 35 HB3 0.0077 0.0116 0.0163 582 GLU 35 HB2 0.0064 0.0114 0.0140 583 GLU 35 HG3 0.0087 0.0138 0.0136 584 GLU 35 HG2 0.0073 0.0126 0.0132 585 SER 36 N 0.0121 0.0081 0.0226 586 SER 36 CA 0.0118 0.0070 0.0227 587 SER 36 C 0.0108 0.0047 0.0216 588 SER 36 O 0.0104 0.0036 0.0217 589 SER 36 CB 0.0121 0.0087 0.0215 590 SER 36 OG 0.0115 0.0089 0.0190 591 SER 36 H 0.0117 0.0081 0.0210 592 SER 36 HA 0.0122 0.0067 0.0246 593 SER 36 HB3 0.0128 0.0104 0.0222 594 SER 36 HB2 0.0119 0.0080 0.0219 595 SER 36 HG 0.0119 0.0103 0.0186 596 GLY 37 N 0.0068 0.0022 0.0242 597 GLY 37 CA 0.0051 -0.0013 0.0219 598 GLY 37 C 0.0086 0.0009 0.0190 599 GLY 37 O 0.0077 -0.0002 0.0188 600 GLY 37 H 0.0069 0.0013 0.0227 601 GLY 37 HA3 0.0024 -0.0023 0.0253 602 GLY 37 HA2 0.0039 -0.0047 0.0189 603 TYR 38 N 0.0102 0.0042 0.0176 604 TYR 38 CA 0.0120 0.0053 0.0164 605 TYR 38 C 0.0130 0.0060 0.0212 606 TYR 38 O 0.0130 0.0059 0.0210 607 TYR 38 CB 0.0090 0.0034 0.0126 608 TYR 38 CG 0.0073 0.0023 0.0077 609 TYR 38 CD1 0.0101 0.0039 0.0045 610 TYR 38 CD2 0.0027 -0.0003 0.0060 611 TYR 38 CE1 0.0086 0.0029 -0.0000 612 TYR 38 CE2 0.0012 -0.0013 0.0014 613 TYR 38 CZ 0.0041 0.0003 -0.0016 614 TYR 38 OH 0.0026 -0.0007 -0.0062 615 TYR 38 H 0.0122 0.0054 0.0167 616 TYR 38 HA 0.0153 0.0071 0.0143 617 TYR 38 HB3 0.0107 0.0044 0.0115 618 TYR 38 HB2 0.0060 0.0017 0.0148 619 TYR 38 HD1 0.0137 0.0060 0.0055 620 TYR 38 HD2 0.0004 -0.0016 0.0084 621 TYR 38 HE1 0.0109 0.0042 -0.0023 622 TYR 38 HE2 -0.0022 -0.0034 0.0002 623 TYR 38 HH 0.0049 0.0006 -0.0075 624 ASN 39 N 0.0153 0.0036 0.0196 625 ASN 39 CA 0.0152 0.0014 0.0175 626 ASN 39 C 0.0133 0.0040 0.0175 627 ASN 39 O 0.0143 0.0059 0.0203 628 ASN 39 CB 0.0188 -0.0014 0.0194 629 ASN 39 CG 0.0191 -0.0040 0.0176 630 ASN 39 OD1 0.0166 -0.0042 0.0146 631 ASN 39 ND2 0.0221 -0.0059 0.0195 632 ASN 39 H 0.0167 0.0050 0.0223 633 ASN 39 HA 0.0140 -0.0003 0.0147 634 ASN 39 HB3 0.0201 0.0003 0.0222 635 ASN 39 HB2 0.0201 -0.0033 0.0194 636 ASN 39 HD22 0.0225 -0.0077 0.0185 637 ASN 39 HD21 0.0240 -0.0057 0.0219 638 THR 40 N 0.0147 0.0047 0.0135 639 THR 40 CA 0.0112 0.0060 0.0126 640 THR 40 C 0.0127 0.0043 0.0116 641 THR 40 O 0.0104 0.0059 0.0118 642 THR 40 CB 0.0069 0.0059 0.0094 643 THR 40 OG1 0.0075 0.0023 0.0057 644 THR 40 CG2 0.0050 0.0078 0.0102 645 THR 40 H 0.0142 0.0033 0.0115 646 THR 40 HA 0.0104 0.0088 0.0153 647 THR 40 HB 0.0044 0.0073 0.0091 648 THR 40 HG1 0.0049 0.0022 0.0036 649 THR 40 HG21 0.0019 0.0076 0.0078 650 THR 40 HG22 0.0043 0.0106 0.0130 651 THR 40 HG23 0.0074 0.0065 0.0105 652 ARG 41 N 0.0167 0.0012 0.0045 653 ARG 41 CA 0.0167 0.0023 0.0093 654 ARG 41 C 0.0161 0.0017 0.0142 655 ARG 41 O 0.0161 0.0027 0.0185 656 ARG 41 CB 0.0154 -0.0017 0.0096 657 ARG 41 CG 0.0158 0.0002 0.0122 658 ARG 41 CD 0.0144 -0.0041 0.0130 659 ARG 41 NE 0.0139 -0.0045 0.0186 660 ARG 41 CZ 0.0147 -0.0013 0.0213 661 ARG 41 NH1 0.0156 0.0013 0.0190 662 ARG 41 NH2 0.0145 -0.0005 0.0264 663 ARG 41 H 0.0157 -0.0025 0.0032 664 ARG 41 HA 0.0178 0.0061 0.0092 665 ARG 41 HB3 0.0143 -0.0050 0.0117 666 ARG 41 HB2 0.0153 -0.0032 0.0057 667 ARG 41 HG3 0.0169 0.0031 0.0098 668 ARG 41 HG2 0.0160 0.0019 0.0160 669 ARG 41 HD3 0.0135 -0.0077 0.0116 670 ARG 41 HD2 0.0148 -0.0034 0.0107 671 ARG 41 HE 0.0128 -0.0076 0.0203 672 ARG 41 HH12 0.0162 0.0038 0.0211 673 ARG 41 HH11 0.0158 0.0007 0.0151 674 ARG 41 HH22 0.0151 0.0020 0.0284 675 ARG 41 HH21 0.0138 -0.0024 0.0282 676 ALA 42 N 0.0154 0.0054 0.0130 677 ALA 42 CA 0.0150 0.0053 0.0127 678 ALA 42 C 0.0133 0.0045 0.0120 679 ALA 42 O 0.0123 0.0036 0.0126 680 ALA 42 CB 0.0155 0.0048 0.0143 681 ALA 42 H 0.0159 0.0051 0.0142 682 ALA 42 HA 0.0156 0.0061 0.0118 683 ALA 42 HB1 0.0152 0.0048 0.0140 684 ALA 42 HB2 0.0167 0.0054 0.0147 685 ALA 42 HB3 0.0149 0.0040 0.0152 686 THR 43 N 0.0066 0.0054 0.0080 687 THR 43 CA 0.0054 0.0042 0.0068 688 THR 43 C 0.0009 0.0037 0.0047 689 THR 43 O -0.0015 0.0059 0.0047 690 THR 43 CB 0.0057 0.0072 0.0085 691 THR 43 OG1 0.0032 0.0108 0.0092 692 THR 43 CG2 0.0101 0.0079 0.0107 693 THR 43 H 0.0046 0.0075 0.0081 694 THR 43 HA 0.0073 0.0013 0.0062 695 THR 43 HB 0.0047 0.0062 0.0075 696 THR 43 HG1 0.0004 0.0104 0.0078 697 THR 43 HG21 0.0102 0.0101 0.0118 698 THR 43 HG22 0.0120 0.0051 0.0102 699 THR 43 HG23 0.0111 0.0090 0.0117 700 ASN 44 N -0.0161 0.0079 0.0096 701 ASN 44 CA -0.0271 0.0069 0.0023 702 ASN 44 C -0.0224 0.0046 0.0012 703 ASN 44 O -0.0123 -0.0014 -0.0031 704 ASN 44 CB -0.0301 0.0001 -0.0100 705 ASN 44 CG -0.0402 -0.0021 -0.0186 706 ASN 44 OD1 -0.0511 0.0032 -0.0159 707 ASN 44 ND2 -0.0368 -0.0099 -0.0290 708 ASN 44 H -0.0065 0.0042 0.0087 709 ASN 44 HA -0.0359 0.0125 0.0065 710 ASN 44 HB3 -0.0209 -0.0052 -0.0135 711 ASN 44 HB2 -0.0335 0.0017 -0.0091 712 ASN 44 HD22 -0.0433 -0.0116 -0.0350 713 ASN 44 HD21 -0.0278 -0.0140 -0.0307 714 TYR 45 N -0.0286 -0.0080 0.0006 715 TYR 45 CA -0.0222 -0.0066 0.0034 716 TYR 45 C -0.0203 -0.0046 0.0013 717 TYR 45 O -0.0237 -0.0063 0.0015 718 TYR 45 CB -0.0213 -0.0098 0.0102 719 TYR 45 CG -0.0148 -0.0086 0.0134 720 TYR 45 CD1 -0.0098 -0.0060 0.0128 721 TYR 45 CD2 -0.0136 -0.0101 0.0173 722 TYR 45 CE1 -0.0038 -0.0048 0.0157 723 TYR 45 CE2 -0.0076 -0.0089 0.0202 724 TYR 45 CZ -0.0028 -0.0064 0.0195 725 TYR 45 OH 0.0033 -0.0052 0.0224 726 TYR 45 H -0.0319 -0.0108 0.0029 727 TYR 45 HA -0.0192 -0.0045 0.0020 728 TYR 45 HB3 -0.0245 -0.0121 0.0117 729 TYR 45 HB2 -0.0227 -0.0112 0.0116 730 TYR 45 HD1 -0.0106 -0.0048 0.0099 731 TYR 45 HD2 -0.0174 -0.0122 0.0179 732 TYR 45 HE1 0.0000 -0.0027 0.0150 733 TYR 45 HE2 -0.0066 -0.0100 0.0231 734 TYR 45 HH 0.0062 -0.0028 0.0204 735 ASN 46 N -0.0182 -0.0049 -0.0009 736 ASN 46 CA -0.0174 -0.0043 -0.0071 737 ASN 46 C -0.0123 -0.0043 -0.0014 738 ASN 46 O -0.0036 -0.0036 -0.0003 739 ASN 46 CB -0.0116 -0.0032 -0.0159 740 ASN 46 CG -0.0162 -0.0032 -0.0215 741 ASN 46 OD1 -0.0241 -0.0036 -0.0253 742 ASN 46 ND2 -0.0118 -0.0028 -0.0217 743 ASN 46 H -0.0124 -0.0044 0.0000 744 ASN 46 HA -0.0245 -0.0048 -0.0092 745 ASN 46 HB3 -0.0107 -0.0028 -0.0204 746 ASN 46 HB2 -0.0045 -0.0027 -0.0136 747 ASN 46 HD22 -0.0147 -0.0028 -0.0254 748 ASN 46 HD21 -0.0055 -0.0025 -0.0182 749 ALA 47 N -0.0143 -0.0150 0.0071 750 ALA 47 CA 0.0107 -0.0247 0.0266 751 ALA 47 C 0.0388 -0.0058 0.0202 752 ALA 47 O 0.0633 -0.0089 0.0332 753 ALA 47 CB 0.0035 -0.0397 0.0380 754 ALA 47 H -0.0317 -0.0193 0.0041 755 ALA 47 HA 0.0136 -0.0356 0.0382 756 ALA 47 HB1 0.0219 -0.0471 0.0527 757 ALA 47 HB2 -0.0165 -0.0536 0.0431 758 ALA 47 HB3 0.0001 -0.0290 0.0264 759 GLY 48 N 0.0467 -0.0036 0.0121 760 GLY 48 CA 0.0684 0.0232 0.0191 761 GLY 48 C 0.0462 0.0231 0.0190 762 GLY 48 O 0.0686 0.0216 0.0187 763 GLY 48 H 0.0341 0.0104 0.0157 764 GLY 48 HA3 0.0709 0.0563 0.0277 765 GLY 48 HA2 0.1030 0.0129 0.0165 766 ASP 49 N 0.0134 0.0018 0.0044 767 ASP 49 CA 0.0132 0.0049 0.0036 768 ASP 49 C 0.0118 0.0037 0.0022 769 ASP 49 O 0.0114 0.0062 0.0013 770 ASP 49 CB 0.0121 0.0081 0.0018 771 ASP 49 CG 0.0093 0.0076 -0.0012 772 ASP 49 OD1 0.0080 0.0045 -0.0021 773 ASP 49 OD2 0.0082 0.0104 -0.0029 774 ASP 49 H 0.0118 0.0003 0.0028 775 ASP 49 HA 0.0152 0.0060 0.0056 776 ASP 49 HB3 0.0132 0.0086 0.0029 777 ASP 49 HB2 0.0127 0.0107 0.0020 778 ARG 50 N 0.0075 0.0016 0.0059 779 ARG 50 CA 0.0078 0.0042 0.0016 780 ARG 50 C 0.0101 0.0035 0.0038 781 ARG 50 O 0.0092 0.0050 0.0008 782 ARG 50 CB 0.0014 0.0048 -0.0022 783 ARG 50 CG 0.0003 0.0069 -0.0062 784 ARG 50 CD -0.0063 0.0072 -0.0097 785 ARG 50 NE -0.0101 0.0054 -0.0082 786 ARG 50 CZ -0.0155 0.0056 -0.0110 787 ARG 50 NH1 -0.0163 0.0087 -0.0167 788 ARG 50 NH2 -0.0199 0.0028 -0.0081 789 ARG 50 H 0.0107 0.0024 0.0059 790 ARG 50 HA 0.0112 0.0066 -0.0011 791 ARG 50 HB3 0.0012 0.0062 -0.0047 792 ARG 50 HB2 -0.0025 0.0022 0.0004 793 ARG 50 HG3 0.0008 0.0055 -0.0038 794 ARG 50 HG2 0.0039 0.0095 -0.0091 795 ARG 50 HD3 -0.0058 0.0099 -0.0142 796 ARG 50 HD2 -0.0086 0.0060 -0.0087 797 ARG 50 HE -0.0082 0.0038 -0.0047 798 ARG 50 HH12 -0.0204 0.0089 -0.0189 799 ARG 50 HH11 -0.0127 0.0108 -0.0188 800 ARG 50 HH22 -0.0241 0.0029 -0.0102 801 ARG 50 HH21 -0.0190 0.0005 -0.0038 802 SER 51 N 0.0062 0.0010 -0.0044 803 SER 51 CA 0.0067 0.0011 -0.0057 804 SER 51 C 0.0043 0.0003 -0.0056 805 SER 51 O 0.0023 -0.0003 -0.0051 806 SER 51 CB 0.0074 0.0011 -0.0086 807 SER 51 OG 0.0054 0.0003 -0.0101 808 SER 51 H 0.0052 0.0006 -0.0054 809 SER 51 HA 0.0082 0.0017 -0.0048 810 SER 51 HB3 0.0089 0.0016 -0.0087 811 SER 51 HB2 0.0083 0.0013 -0.0094 812 SER 51 HG 0.0051 0.0002 -0.0098 813 THR 52 N 0.0058 -0.0021 -0.0052 814 THR 52 CA 0.0039 -0.0017 -0.0045 815 THR 52 C 0.0063 -0.0038 -0.0076 816 THR 52 O 0.0107 -0.0043 -0.0087 817 THR 52 CB 0.0052 0.0013 -0.0002 818 THR 52 OG1 0.0029 0.0032 0.0026 819 THR 52 CG2 0.0035 0.0020 0.0008 820 THR 52 H 0.0094 -0.0020 -0.0053 821 THR 52 HA -0.0001 -0.0021 -0.0048 822 THR 52 HB 0.0091 0.0017 0.0001 823 THR 52 HG1 0.0026 0.0024 0.0014 824 THR 52 HG21 0.0045 0.0041 0.0038 825 THR 52 HG22 0.0051 0.0006 -0.0013 826 THR 52 HG23 -0.0005 0.0017 0.0006 827 ASP 53 N 0.0066 -0.0041 -0.0062 828 ASP 53 CA 0.0086 -0.0056 -0.0064 829 ASP 53 C 0.0097 -0.0026 -0.0016 830 ASP 53 O 0.0066 0.0009 0.0004 831 ASP 53 CB 0.0048 -0.0060 -0.0102 832 ASP 53 CG 0.0033 -0.0087 -0.0150 833 ASP 53 OD1 0.0066 -0.0119 -0.0164 834 ASP 53 OD2 -0.0012 -0.0075 -0.0173 835 ASP 53 H 0.0029 -0.0019 -0.0064 836 ASP 53 HA 0.0120 -0.0085 -0.0072 837 ASP 53 HB3 0.0064 -0.0072 -0.0104 838 ASP 53 HB2 0.0015 -0.0031 -0.0092 839 TYR 54 N 0.0126 0.0025 0.0007 840 TYR 54 CA 0.0132 0.0033 0.0019 841 TYR 54 C 0.0139 0.0034 0.0031 842 TYR 54 O 0.0142 0.0023 0.0034 843 TYR 54 CB 0.0136 0.0024 0.0024 844 TYR 54 CG 0.0131 0.0025 0.0015 845 TYR 54 CD1 0.0126 0.0014 0.0005 846 TYR 54 CD2 0.0131 0.0035 0.0018 847 TYR 54 CE1 0.0122 0.0015 -0.0003 848 TYR 54 CE2 0.0127 0.0036 0.0010 849 TYR 54 CZ 0.0122 0.0025 -0.0000 850 TYR 54 OH 0.0118 0.0026 -0.0008 851 TYR 54 H 0.0127 0.0014 0.0007 852 TYR 54 HA 0.0130 0.0044 0.0017 853 TYR 54 HB3 0.0141 0.0028 0.0034 854 TYR 54 HB2 0.0138 0.0012 0.0025 855 TYR 54 HD1 0.0126 0.0005 0.0003 856 TYR 54 HD2 0.0135 0.0043 0.0027 857 TYR 54 HE1 0.0118 0.0006 -0.0011 858 TYR 54 HE2 0.0127 0.0045 0.0012 859 TYR 54 HH 0.0115 0.0017 -0.0014 860 GLY 55 N 0.0112 0.0054 0.0105 861 GLY 55 CA 0.0109 0.0058 0.0114 862 GLY 55 C 0.0119 0.0068 0.0130 863 GLY 55 O 0.0132 0.0074 0.0134 864 GLY 55 H 0.0122 0.0051 0.0095 865 GLY 55 HA3 0.0094 0.0055 0.0117 866 GLY 55 HA2 0.0113 0.0054 0.0105 867 THR 56 N 0.0093 0.0090 0.0153 868 THR 56 CA 0.0096 0.0100 0.0161 869 THR 56 C 0.0103 0.0118 0.0175 870 THR 56 O 0.0114 0.0125 0.0183 871 THR 56 CB 0.0077 0.0101 0.0156 872 THR 56 OG1 0.0083 0.0106 0.0160 873 THR 56 CG2 0.0058 0.0116 0.0159 874 THR 56 H 0.0078 0.0087 0.0147 875 THR 56 HA 0.0109 0.0091 0.0160 876 THR 56 HB 0.0071 0.0088 0.0145 877 THR 56 HG1 0.0071 0.0106 0.0157 878 THR 56 HG21 0.0045 0.0116 0.0155 879 THR 56 HG22 0.0053 0.0113 0.0155 880 THR 56 HG23 0.0063 0.0130 0.0170 881 PHE 57 N 0.0061 0.0061 0.0103 882 PHE 57 CA 0.0070 0.0079 0.0108 883 PHE 57 C 0.0090 0.0077 0.0112 884 PHE 57 O 0.0100 0.0092 0.0116 885 PHE 57 CB 0.0059 0.0093 0.0106 886 PHE 57 CG 0.0039 0.0098 0.0102 887 PHE 57 CD1 0.0036 0.0108 0.0102 888 PHE 57 CD2 0.0023 0.0094 0.0098 889 PHE 57 CE1 0.0018 0.0113 0.0099 890 PHE 57 CE2 0.0005 0.0100 0.0094 891 PHE 57 CZ 0.0002 0.0109 0.0095 892 PHE 57 H 0.0056 0.0055 0.0102 893 PHE 57 HA 0.0071 0.0086 0.0108 894 PHE 57 HB3 0.0067 0.0106 0.0109 895 PHE 57 HB2 0.0058 0.0086 0.0105 896 PHE 57 HD1 0.0048 0.0112 0.0106 897 PHE 57 HD2 0.0025 0.0087 0.0098 898 PHE 57 HE1 0.0016 0.0120 0.0099 899 PHE 57 HE2 -0.0007 0.0097 0.0091 900 PHE 57 HZ -0.0012 0.0113 0.0092 901 GLN 58 N 0.0104 -0.0008 0.0087 902 GLN 58 CA 0.0100 -0.0009 0.0077 903 GLN 58 C 0.0104 -0.0022 0.0071 904 GLN 58 O 0.0101 -0.0026 0.0061 905 GLN 58 CB 0.0093 -0.0002 0.0068 906 GLN 58 CG 0.0088 0.0011 0.0072 907 GLN 58 CD 0.0086 0.0016 0.0073 908 GLN 58 OE1 0.0081 0.0018 0.0065 909 GLN 58 NE2 0.0090 0.0017 0.0084 910 GLN 58 H 0.0105 -0.0003 0.0095 911 GLN 58 HA 0.0100 -0.0005 0.0080 912 GLN 58 HB3 0.0090 -0.0004 0.0059 913 GLN 58 HB2 0.0093 -0.0005 0.0065 914 GLN 58 HG3 0.0083 0.0016 0.0066 915 GLN 58 HG2 0.0091 0.0013 0.0081 916 GLN 58 HE22 0.0089 0.0020 0.0085 917 GLN 58 HE21 0.0094 0.0015 0.0091 918 ILE 59 N 0.0089 0.0023 -0.0009 919 ILE 59 CA 0.0086 0.0013 -0.0010 920 ILE 59 C 0.0101 -0.0008 -0.0028 921 ILE 59 O 0.0102 -0.0025 -0.0036 922 ILE 59 CB 0.0059 0.0001 0.0004 923 ILE 59 CG1 0.0046 0.0025 0.0022 924 ILE 59 CG2 0.0055 -0.0015 0.0001 925 ILE 59 CD1 0.0020 0.0016 0.0037 926 ILE 59 H 0.0077 0.0015 -0.0004 927 ILE 59 HA 0.0091 0.0030 -0.0008 928 ILE 59 HB 0.0053 -0.0012 0.0003 929 ILE 59 HG13 0.0052 0.0039 0.0022 930 ILE 59 HG12 0.0049 0.0036 0.0023 931 ILE 59 HG21 0.0037 -0.0023 0.0011 932 ILE 59 HG22 0.0065 -0.0031 -0.0012 933 ILE 59 HG23 0.0061 -0.0002 0.0001 934 ILE 59 HD11 0.0012 0.0034 0.0049 935 ILE 59 HD12 0.0016 0.0006 0.0036 936 ILE 59 HD13 0.0013 0.0003 0.0037 937 ASN 60 N 0.0144 -0.0092 -0.0087 938 ASN 60 CA 0.0137 -0.0092 -0.0099 939 ASN 60 C 0.0138 -0.0100 -0.0098 940 ASN 60 O 0.0142 -0.0112 -0.0093 941 ASN 60 CB 0.0130 -0.0099 -0.0110 942 ASN 60 CG 0.0121 -0.0097 -0.0123 943 ASN 60 OD1 0.0119 -0.0107 -0.0128 944 ASN 60 ND2 0.0117 -0.0083 -0.0127 945 ASN 60 H 0.0145 -0.0101 -0.0087 946 ASN 60 HA 0.0134 -0.0080 -0.0100 947 ASN 60 HB3 0.0132 -0.0111 -0.0109 948 ASN 60 HB2 0.0129 -0.0093 -0.0110 949 ASN 60 HD22 0.0111 -0.0082 -0.0136 950 ASN 60 HD21 0.0119 -0.0075 -0.0123 951 SER 61 N 0.0131 -0.0043 -0.0089 952 SER 61 CA 0.0133 -0.0023 -0.0086 953 SER 61 C 0.0118 -0.0027 -0.0084 954 SER 61 O 0.0121 -0.0011 -0.0083 955 SER 61 CB 0.0125 0.0003 -0.0082 956 SER 61 OG 0.0099 0.0001 -0.0077 957 SER 61 H 0.0118 -0.0041 -0.0086 958 SER 61 HA 0.0153 -0.0021 -0.0090 959 SER 61 HB3 0.0136 0.0005 -0.0083 960 SER 61 HB2 0.0129 0.0018 -0.0080 961 SER 61 HG 0.0091 0.0017 -0.0073 962 ARG 62 N 0.0108 -0.0049 -0.0079 963 ARG 62 CA 0.0075 -0.0050 -0.0067 964 ARG 62 C 0.0068 -0.0058 -0.0055 965 ARG 62 O 0.0043 -0.0052 -0.0056 966 ARG 62 CB 0.0066 -0.0064 -0.0047 967 ARG 62 CG 0.0031 -0.0066 -0.0034 968 ARG 62 CD 0.0018 -0.0071 -0.0025 969 ARG 62 NE 0.0003 -0.0051 -0.0045 970 ARG 62 CZ 0.0016 -0.0047 -0.0055 971 ARG 62 NH1 0.0041 -0.0060 -0.0045 972 ARG 62 NH2 0.0001 -0.0032 -0.0070 973 ARG 62 H 0.0124 -0.0060 -0.0069 974 ARG 62 HA 0.0060 -0.0035 -0.0082 975 ARG 62 HB3 0.0082 -0.0079 -0.0033 976 ARG 62 HB2 0.0068 -0.0057 -0.0056 977 ARG 62 HG3 0.0016 -0.0053 -0.0048 978 ARG 62 HG2 0.0031 -0.0079 -0.0017 979 ARG 62 HD3 0.0000 -0.0080 -0.0008 980 ARG 62 HD2 0.0037 -0.0079 -0.0019 981 ARG 62 HE -0.0016 -0.0042 -0.0052 982 ARG 62 HH12 0.0052 -0.0058 -0.0051 983 ARG 62 HH11 0.0050 -0.0073 -0.0031 984 ARG 62 HH22 0.0011 -0.0029 -0.0077 985 ARG 62 HH21 -0.0021 -0.0024 -0.0075 986 TYR 63 N 0.0050 -0.0110 -0.0059 987 TYR 63 CA 0.0022 -0.0103 -0.0036 988 TYR 63 C 0.0032 -0.0095 -0.0079 989 TYR 63 O -0.0005 -0.0079 -0.0073 990 TYR 63 CB 0.0048 -0.0134 0.0025 991 TYR 63 CG 0.0040 -0.0143 0.0071 992 TYR 63 CD1 -0.0016 -0.0124 0.0100 993 TYR 63 CD2 0.0085 -0.0169 0.0082 994 TYR 63 CE1 -0.0026 -0.0132 0.0142 995 TYR 63 CE2 0.0075 -0.0177 0.0124 996 TYR 63 CZ 0.0020 -0.0158 0.0154 997 TYR 63 OH 0.0009 -0.0165 0.0196 998 TYR 63 H 0.0093 -0.0131 -0.0061 999 TYR 63 HA -0.0025 -0.0083 -0.0025 1000 TYR 63 HB3 0.0027 -0.0130 0.0046 1001 TYR 63 HB2 0.0094 -0.0154 0.0014 1002 TYR 63 HD1 -0.0052 -0.0104 0.0091 1003 TYR 63 HD2 0.0128 -0.0184 0.0059 1004 TYR 63 HE1 -0.0069 -0.0117 0.0165 1005 TYR 63 HE2 0.0110 -0.0197 0.0134 1006 TYR 63 HH 0.0043 -0.0188 0.0216 1007 TRP 64 N 0.0011 -0.0100 -0.0101 1008 TRP 64 CA 0.0024 -0.0100 -0.0099 1009 TRP 64 C 0.0028 -0.0089 -0.0109 1010 TRP 64 O 0.0029 -0.0090 -0.0109 1011 TRP 64 CB 0.0039 -0.0104 -0.0093 1012 TRP 64 CG 0.0035 -0.0115 -0.0082 1013 TRP 64 CD1 0.0035 -0.0117 -0.0080 1014 TRP 64 CD2 0.0031 -0.0126 -0.0072 1015 TRP 64 NE1 0.0031 -0.0128 -0.0069 1016 TRP 64 CE2 0.0028 -0.0134 -0.0064 1017 TRP 64 CE3 0.0029 -0.0130 -0.0068 1018 TRP 64 CZ2 0.0024 -0.0146 -0.0053 1019 TRP 64 CZ3 0.0025 -0.0141 -0.0058 1020 TRP 64 CH2 0.0022 -0.0149 -0.0050 1021 TRP 64 H 0.0013 -0.0095 -0.0106 1022 TRP 64 HA 0.0020 -0.0107 -0.0093 1023 TRP 64 HB3 0.0048 -0.0105 -0.0090 1024 TRP 64 HB2 0.0044 -0.0097 -0.0098 1025 TRP 64 HD1 0.0038 -0.0110 -0.0087 1026 TRP 64 HE1 0.0030 -0.0131 -0.0067 1027 TRP 64 HE3 0.0032 -0.0124 -0.0074 1028 TRP 64 HZ2 0.0022 -0.0152 -0.0047 1029 TRP 64 HZ3 0.0023 -0.0144 -0.0055 1030 TRP 64 HH2 0.0019 -0.0158 -0.0042 1031 CYS 65 N 0.0065 0.0009 -0.0103 1032 CYS 65 CA 0.0065 0.0009 -0.0103 1033 CYS 65 C 0.0064 0.0009 -0.0108 1034 CYS 65 O 0.0063 0.0010 -0.0112 1035 CYS 65 CB 0.0068 0.0014 -0.0101 1036 CYS 65 SG 0.0070 0.0019 -0.0105 1037 CYS 65 H 0.0065 0.0011 -0.0105 1038 CYS 65 HA 0.0065 0.0007 -0.0100 1039 CYS 65 HB3 0.0070 0.0014 -0.0097 1040 CYS 65 HB2 0.0069 0.0014 -0.0101 1041 ASN 66 N 0.0086 0.0067 -0.0120 1042 ASN 66 CA 0.0079 0.0092 -0.0084 1043 ASN 66 C 0.0070 0.0080 -0.0072 1044 ASN 66 O 0.0081 0.0082 -0.0096 1045 ASN 66 CB 0.0097 0.0138 -0.0089 1046 ASN 66 CG 0.0090 0.0165 -0.0051 1047 ASN 66 OD1 0.0074 0.0159 -0.0018 1048 ASN 66 ND2 0.0103 0.0196 -0.0057 1049 ASN 66 H 0.0100 0.0074 -0.0147 1050 ASN 66 HA 0.0067 0.0087 -0.0060 1051 ASN 66 HB3 0.0109 0.0144 -0.0114 1052 ASN 66 HB2 0.0103 0.0146 -0.0097 1053 ASN 66 HD22 0.0099 0.0215 -0.0033 1054 ASN 66 HD21 0.0116 0.0199 -0.0085 1055 ASP 67 N 0.0194 0.0115 -0.0035 1056 ASP 67 CA 0.0180 0.0119 -0.0013 1057 ASP 67 C 0.0181 0.0140 0.0014 1058 ASP 67 O 0.0170 0.0145 0.0035 1059 ASP 67 CB 0.0152 0.0098 -0.0011 1060 ASP 67 CG 0.0133 0.0088 -0.0003 1061 ASP 67 OD1 0.0140 0.0099 0.0005 1062 ASP 67 OD2 0.0110 0.0069 -0.0003 1063 ASP 67 H 0.0187 0.0110 -0.0033 1064 ASP 67 HA 0.0190 0.0124 -0.0018 1065 ASP 67 HB3 0.0152 0.0085 -0.0030 1066 ASP 67 HB2 0.0144 0.0102 0.0004 1067 GLY 68 N 0.0214 0.0206 0.0084 1068 GLY 68 CA 0.0251 0.0244 0.0171 1069 GLY 68 C 0.0183 0.0237 0.0208 1070 GLY 68 O 0.0226 0.0266 0.0258 1071 GLY 68 H 0.0252 0.0192 0.0009 1072 GLY 68 HA3 0.0259 0.0269 0.0241 1073 GLY 68 HA2 0.0336 0.0261 0.0151 1074 LYS 69 N 0.0195 0.0277 0.0106 1075 LYS 69 CA 0.0109 0.0279 0.0132 1076 LYS 69 C 0.0062 0.0209 0.0106 1077 LYS 69 O -0.0011 0.0201 0.0122 1078 LYS 69 CB 0.0073 0.0307 0.0157 1079 LYS 69 CG 0.0081 0.0258 0.0128 1080 LYS 69 CD 0.0033 0.0281 0.0154 1081 LYS 69 CE 0.0014 0.0220 0.0126 1082 LYS 69 NZ 0.0053 0.0241 0.0126 1083 LYS 69 H 0.0213 0.0246 0.0084 1084 LYS 69 HA 0.0103 0.0320 0.0156 1085 LYS 69 HB3 0.0102 0.0362 0.0179 1086 LYS 69 HB2 0.0010 0.0312 0.0178 1087 LYS 69 HG3 0.0060 0.0201 0.0102 1088 LYS 69 HG2 0.0144 0.0261 0.0111 1089 LYS 69 HD3 0.0066 0.0328 0.0171 1090 LYS 69 HD2 -0.0023 0.0298 0.0179 1091 LYS 69 HE3 -0.0051 0.0208 0.0137 1092 LYS 69 HE2 0.0036 0.0171 0.0092 1093 LYS 69 HZ1 0.0040 0.0200 0.0107 1094 LYS 69 HZ2 0.0032 0.0286 0.0157 1095 LYS 69 HZ3 0.0113 0.0252 0.0115 1096 THR 70 N 0.0077 0.0122 -0.0034 1097 THR 70 CA 0.0055 0.0083 -0.0049 1098 THR 70 C 0.0048 0.0060 -0.0058 1099 THR 70 O 0.0078 0.0049 -0.0054 1100 THR 70 CB 0.0085 0.0054 -0.0051 1101 THR 70 OG1 0.0094 0.0077 -0.0043 1102 THR 70 CG2 0.0061 0.0016 -0.0067 1103 THR 70 H 0.0109 0.0119 -0.0027 1104 THR 70 HA 0.0025 0.0091 -0.0054 1105 THR 70 HB 0.0114 0.0045 -0.0047 1106 THR 70 HG1 0.0107 0.0102 -0.0032 1107 THR 70 HG21 0.0081 -0.0004 -0.0068 1108 THR 70 HG22 0.0051 -0.0000 -0.0074 1109 THR 70 HG23 0.0033 0.0027 -0.0070 1110 PRO 71 N -0.0025 0.0050 -0.0100 1111 PRO 71 CA -0.0069 0.0009 -0.0104 1112 PRO 71 C -0.0046 -0.0068 -0.0083 1113 PRO 71 O -0.0022 -0.0096 -0.0072 1114 PRO 71 CB -0.0142 0.0011 -0.0123 1115 PRO 71 CG -0.0140 0.0070 -0.0133 1116 PRO 71 CD -0.0065 0.0078 -0.0116 1117 PRO 71 HA -0.0067 0.0033 -0.0108 1118 PRO 71 HB3 -0.0179 0.0023 -0.0134 1119 PRO 71 HB2 -0.0156 -0.0038 -0.0117 1120 PRO 71 HG3 -0.0153 0.0119 -0.0146 1121 PRO 71 HG2 -0.0175 0.0057 -0.0140 1122 PRO 71 HD2 -0.0059 0.0043 -0.0108 1123 PRO 71 HD3 -0.0050 0.0134 -0.0123 1124 GLY 72 N 0.0019 -0.0219 -0.0180 1125 GLY 72 CA 0.0008 -0.0214 -0.0160 1126 GLY 72 C -0.0043 -0.0178 -0.0068 1127 GLY 72 O -0.0053 -0.0133 -0.0053 1128 GLY 72 H 0.0030 -0.0288 -0.0195 1129 GLY 72 HA3 0.0031 -0.0165 -0.0208 1130 GLY 72 HA2 0.0016 -0.0288 -0.0168 1131 ALA 73 N -0.0038 -0.0061 -0.0086 1132 ALA 73 CA -0.0005 -0.0064 -0.0066 1133 ALA 73 C -0.0017 -0.0087 -0.0045 1134 ALA 73 O -0.0046 -0.0089 -0.0057 1135 ALA 73 CB 0.0019 -0.0036 -0.0088 1136 ALA 73 H -0.0045 -0.0043 -0.0111 1137 ALA 73 HA 0.0014 -0.0070 -0.0050 1138 ALA 73 HB1 0.0044 -0.0038 -0.0073 1139 ALA 73 HB2 0.0030 -0.0020 -0.0102 1140 ALA 73 HB3 0.0000 -0.0030 -0.0104 1141 VAL 74 N -0.0167 -0.0041 -0.0103 1142 VAL 74 CA -0.0196 -0.0040 -0.0080 1143 VAL 74 C -0.0169 -0.0033 -0.0123 1144 VAL 74 O -0.0208 -0.0019 -0.0128 1145 VAL 74 CB -0.0185 -0.0073 -0.0001 1146 VAL 74 CG1 -0.0206 -0.0075 0.0024 1147 VAL 74 CG2 -0.0225 -0.0075 0.0041 1148 VAL 74 H -0.0116 -0.0062 -0.0092 1149 VAL 74 HA -0.0254 -0.0020 -0.0083 1150 VAL 74 HB -0.0128 -0.0093 0.0004 1151 VAL 74 HG11 -0.0197 -0.0098 0.0079 1152 VAL 74 HG12 -0.0175 -0.0074 -0.0007 1153 VAL 74 HG13 -0.0263 -0.0055 0.0019 1154 VAL 74 HG21 -0.0218 -0.0098 0.0096 1155 VAL 74 HG22 -0.0282 -0.0054 0.0033 1156 VAL 74 HG23 -0.0204 -0.0075 0.0022 1157 ASN 75 N -0.0053 0.0002 -0.0087 1158 ASN 75 CA -0.0023 0.0009 -0.0103 1159 ASN 75 C -0.0002 -0.0009 -0.0112 1160 ASN 75 O 0.0016 0.0006 -0.0122 1161 ASN 75 CB -0.0017 0.0046 -0.0107 1162 ASN 75 CG 0.0011 0.0054 -0.0121 1163 ASN 75 OD1 0.0025 0.0033 -0.0127 1164 ASN 75 ND2 0.0020 0.0084 -0.0127 1165 ASN 75 H -0.0064 -0.0005 -0.0082 1166 ASN 75 HA -0.0018 0.0001 -0.0105 1167 ASN 75 HB3 -0.0016 0.0054 -0.0108 1168 ASN 75 HB2 -0.0035 0.0059 -0.0099 1169 ASN 75 HD22 0.0039 0.0090 -0.0136 1170 ASN 75 HD21 0.0009 0.0101 -0.0122 1171 ALA 76 N -0.0080 -0.0096 -0.0111 1172 ALA 76 CA -0.0071 -0.0114 -0.0100 1173 ALA 76 C -0.0038 -0.0113 -0.0114 1174 ALA 76 O -0.0031 -0.0119 -0.0111 1175 ALA 76 CB -0.0074 -0.0142 -0.0076 1176 ALA 76 H -0.0082 -0.0104 -0.0103 1177 ALA 76 HA -0.0088 -0.0106 -0.0099 1178 ALA 76 HB1 -0.0067 -0.0155 -0.0068 1179 ALA 76 HB2 -0.0099 -0.0141 -0.0066 1180 ALA 76 HB3 -0.0058 -0.0150 -0.0076 1181 CYS 77 N -0.0047 -0.0078 -0.0123 1182 CYS 77 CA -0.0036 -0.0076 -0.0123 1183 CYS 77 C -0.0036 -0.0068 -0.0129 1184 CYS 77 O -0.0027 -0.0066 -0.0129 1185 CYS 77 CB -0.0026 -0.0072 -0.0124 1186 CYS 77 SG -0.0022 -0.0081 -0.0116 1187 CYS 77 H -0.0049 -0.0074 -0.0126 1188 CYS 77 HA -0.0033 -0.0082 -0.0117 1189 CYS 77 HB3 -0.0018 -0.0069 -0.0125 1190 CYS 77 HB2 -0.0030 -0.0066 -0.0130 1191 HIS 78 N 0.0005 0.0025 -0.0198 1192 HIS 78 CA 0.0033 0.0127 -0.0220 1193 HIS 78 C 0.0079 0.0148 -0.0254 1194 HIS 78 O 0.0145 0.0187 -0.0302 1195 HIS 78 CB 0.0075 0.0156 -0.0251 1196 HIS 78 CG 0.0021 0.0150 -0.0212 1197 HIS 78 ND1 0.0018 0.0069 -0.0208 1198 HIS 78 CD2 -0.0032 0.0216 -0.0176 1199 HIS 78 CE1 -0.0036 0.0085 -0.0170 1200 HIS 78 NE2 -0.0066 0.0175 -0.0150 1201 HIS 78 H -0.0054 0.0013 -0.0155 1202 HIS 78 HA -0.0021 0.0174 -0.0183 1203 HIS 78 HB3 0.0098 0.0231 -0.0269 1204 HIS 78 HB2 0.0127 0.0107 -0.0288 1205 HIS 78 HD1 0.0053 0.0010 -0.0232 1206 HIS 78 HD2 -0.0040 0.0286 -0.0171 1207 HIS 78 HE1 -0.0047 0.0029 -0.0161 1208 LEU 79 N -0.0057 0.0030 -0.0082 1209 LEU 79 CA -0.0065 0.0020 -0.0080 1210 LEU 79 C -0.0042 0.0006 -0.0090 1211 LEU 79 O -0.0020 0.0016 -0.0096 1212 LEU 79 CB -0.0069 0.0047 -0.0076 1213 LEU 79 CG -0.0094 0.0057 -0.0066 1214 LEU 79 CD1 -0.0092 0.0079 -0.0064 1215 LEU 79 CD2 -0.0117 0.0037 -0.0061 1216 LEU 79 H -0.0038 0.0037 -0.0087 1217 LEU 79 HA -0.0083 0.0007 -0.0076 1218 LEU 79 HB3 -0.0056 0.0046 -0.0080 1219 LEU 79 HB2 -0.0058 0.0064 -0.0077 1220 LEU 79 HG -0.0100 0.0068 -0.0063 1221 LEU 79 HD11 -0.0112 0.0085 -0.0057 1222 LEU 79 HD12 -0.0080 0.0096 -0.0066 1223 LEU 79 HD13 -0.0083 0.0070 -0.0068 1224 LEU 79 HD21 -0.0134 0.0048 -0.0054 1225 LEU 79 HD22 -0.0112 0.0023 -0.0064 1226 LEU 79 HD23 -0.0122 0.0026 -0.0061 1227 SER 80 N -0.0073 0.0073 -0.0095 1228 SER 80 CA -0.0046 0.0055 -0.0106 1229 SER 80 C -0.0024 0.0062 -0.0097 1230 SER 80 O -0.0034 0.0068 -0.0094 1231 SER 80 CB -0.0056 0.0030 -0.0127 1232 SER 80 OG -0.0031 0.0013 -0.0137 1233 SER 80 H -0.0093 0.0068 -0.0102 1234 SER 80 HA -0.0034 0.0055 -0.0104 1235 SER 80 HB3 -0.0071 0.0031 -0.0128 1236 SER 80 HB2 -0.0070 0.0024 -0.0134 1237 SER 80 HG -0.0019 0.0011 -0.0136 1238 CYS 81 N 0.0053 0.0040 -0.0067 1239 CYS 81 CA 0.0067 0.0049 -0.0063 1240 CYS 81 C 0.0058 0.0033 -0.0070 1241 CYS 81 O 0.0059 0.0041 -0.0067 1242 CYS 81 CB 0.0100 0.0049 -0.0063 1243 CYS 81 SG 0.0113 0.0071 -0.0054 1244 CYS 81 H 0.0065 0.0034 -0.0069 1245 CYS 81 HA 0.0060 0.0070 -0.0055 1246 CYS 81 HB3 0.0109 0.0054 -0.0061 1247 CYS 81 HB2 0.0107 0.0029 -0.0071 1248 SER 82 N -0.0007 0.0018 -0.0071 1249 SER 82 CA -0.0024 -0.0020 -0.0095 1250 SER 82 C -0.0081 0.0009 -0.0076 1251 SER 82 O -0.0079 -0.0001 -0.0082 1252 SER 82 CB -0.0044 -0.0086 -0.0137 1253 SER 82 OG -0.0113 -0.0088 -0.0138 1254 SER 82 H -0.0015 -0.0001 -0.0082 1255 SER 82 HA 0.0027 -0.0023 -0.0097 1256 SER 82 HB3 -0.0004 -0.0103 -0.0148 1257 SER 82 HB2 -0.0043 -0.0115 -0.0155 1258 SER 82 HG -0.0111 -0.0071 -0.0127 1259 ALA 83 N -0.0094 0.0021 -0.0068 1260 ALA 83 CA -0.0129 0.0043 -0.0050 1261 ALA 83 C -0.0108 0.0077 -0.0033 1262 ALA 83 O -0.0131 0.0090 -0.0022 1263 ALA 83 CB -0.0162 0.0060 -0.0035 1264 ALA 83 H -0.0093 0.0022 -0.0067 1265 ALA 83 HA -0.0149 0.0021 -0.0060 1266 ALA 83 HB1 -0.0189 0.0076 -0.0022 1267 ALA 83 HB2 -0.0179 0.0035 -0.0047 1268 ALA 83 HB3 -0.0143 0.0081 -0.0025 1269 LEU 84 N -0.0011 0.0039 0.0007 1270 LEU 84 CA -0.0001 0.0067 0.0012 1271 LEU 84 C 0.0011 0.0075 0.0005 1272 LEU 84 O 0.0022 0.0098 0.0007 1273 LEU 84 CB 0.0014 0.0074 0.0002 1274 LEU 84 CG 0.0004 0.0067 0.0008 1275 LEU 84 CD1 0.0019 0.0074 -0.0004 1276 LEU 84 CD2 -0.0013 0.0077 0.0030 1277 LEU 84 H -0.0003 0.0029 -0.0007 1278 LEU 84 HA -0.0012 0.0076 0.0028 1279 LEU 84 HB3 0.0022 0.0095 0.0005 1280 LEU 84 HB2 0.0026 0.0066 -0.0015 1281 LEU 84 HG -0.0003 0.0047 0.0003 1282 LEU 84 HD11 0.0011 0.0068 0.0001 1283 LEU 84 HD12 0.0030 0.0064 -0.0020 1284 LEU 84 HD13 0.0028 0.0094 -0.0001 1285 LEU 84 HD21 -0.0020 0.0072 0.0033 1286 LEU 84 HD22 -0.0007 0.0098 0.0035 1287 LEU 84 HD23 -0.0025 0.0070 0.0038 1288 LEU 85 N 0.0025 0.0077 0.0031 1289 LEU 85 CA 0.0044 0.0048 0.0019 1290 LEU 85 C 0.0018 0.0031 -0.0002 1291 LEU 85 O 0.0029 0.0004 -0.0016 1292 LEU 85 CB 0.0068 0.0022 0.0012 1293 LEU 85 CG 0.0098 0.0035 0.0033 1294 LEU 85 CD1 0.0117 0.0010 0.0023 1295 LEU 85 CD2 0.0127 0.0045 0.0051 1296 LEU 85 H 0.0008 0.0073 0.0021 1297 LEU 85 HA 0.0063 0.0056 0.0033 1298 LEU 85 HB3 0.0081 -0.0000 0.0002 1299 LEU 85 HB2 0.0050 0.0014 -0.0001 1300 LEU 85 HG 0.0085 0.0057 0.0042 1301 LEU 85 HD11 0.0139 0.0019 0.0038 1302 LEU 85 HD12 0.0097 0.0005 0.0012 1303 LEU 85 HD13 0.0130 -0.0014 0.0013 1304 LEU 85 HD21 0.0148 0.0054 0.0065 1305 LEU 85 HD22 0.0141 0.0024 0.0042 1306 LEU 85 HD23 0.0113 0.0065 0.0059 1307 GLN 86 N -0.0073 0.0037 -0.0048 1308 GLN 86 CA -0.0112 0.0023 -0.0061 1309 GLN 86 C -0.0095 0.0049 -0.0038 1310 GLN 86 O -0.0071 0.0086 -0.0004 1311 GLN 86 CB -0.0179 0.0033 -0.0051 1312 GLN 86 CG -0.0207 0.0005 -0.0077 1313 GLN 86 CD -0.0273 0.0020 -0.0062 1314 GLN 86 OE1 -0.0315 -0.0000 -0.0080 1315 GLN 86 NE2 -0.0283 0.0051 -0.0033 1316 GLN 86 H -0.0092 0.0058 -0.0029 1317 GLN 86 HA -0.0106 -0.0013 -0.0095 1318 GLN 86 HB3 -0.0207 0.0028 -0.0055 1319 GLN 86 HB2 -0.0184 0.0069 -0.0018 1320 GLN 86 HG3 -0.0180 0.0009 -0.0073 1321 GLN 86 HG2 -0.0206 -0.0031 -0.0110 1322 GLN 86 HE22 -0.0326 0.0061 -0.0023 1323 GLN 86 HE21 -0.0247 0.0067 -0.0019 1324 ASP 87 N -0.0132 0.0030 -0.0091 1325 ASP 87 CA -0.0101 0.0023 -0.0074 1326 ASP 87 C -0.0159 0.0079 -0.0037 1327 ASP 87 O -0.0129 0.0095 0.0012 1328 ASP 87 CB -0.0093 -0.0031 -0.0151 1329 ASP 87 CG -0.0018 -0.0090 -0.0180 1330 ASP 87 OD1 0.0038 -0.0093 -0.0138 1331 ASP 87 OD2 -0.0014 -0.0134 -0.0245 1332 ASP 87 H -0.0158 0.0007 -0.0148 1333 ASP 87 HA -0.0039 0.0017 -0.0033 1334 ASP 87 HB3 -0.0094 -0.0025 -0.0144 1335 ASP 87 HB2 -0.0150 -0.0031 -0.0198 1336 ASN 88 N -0.0156 0.0057 -0.0026 1337 ASN 88 CA -0.0199 0.0079 0.0012 1338 ASN 88 C -0.0194 0.0098 0.0037 1339 ASN 88 O -0.0195 0.0083 0.0018 1340 ASN 88 CB -0.0255 0.0054 -0.0007 1341 ASN 88 CG -0.0300 0.0075 0.0031 1342 ASN 88 OD1 -0.0312 0.0093 0.0058 1343 ASN 88 ND2 -0.0325 0.0071 0.0032 1344 ASN 88 H -0.0168 0.0032 -0.0056 1345 ASN 88 HA -0.0194 0.0096 0.0034 1346 ASN 88 HB3 -0.0261 0.0040 -0.0024 1347 ASN 88 HB2 -0.0255 0.0037 -0.0030 1348 ASN 88 HD22 -0.0356 0.0084 0.0056 1349 ASN 88 HD21 -0.0313 0.0056 0.0009 1350 ILE 89 N -0.0128 0.0128 0.0087 1351 ILE 89 CA -0.0135 0.0131 0.0110 1352 ILE 89 C -0.0157 0.0140 0.0121 1353 ILE 89 O -0.0163 0.0143 0.0142 1354 ILE 89 CB -0.0115 0.0124 0.0129 1355 ILE 89 CG1 -0.0109 0.0123 0.0138 1356 ILE 89 CG2 -0.0093 0.0116 0.0119 1357 ILE 89 CD1 -0.0091 0.0117 0.0159 1358 ILE 89 H -0.0120 0.0125 0.0088 1359 ILE 89 HA -0.0138 0.0132 0.0106 1360 ILE 89 HB -0.0120 0.0127 0.0145 1361 ILE 89 HG13 -0.0125 0.0129 0.0144 1362 ILE 89 HG12 -0.0103 0.0120 0.0123 1363 ILE 89 HG21 -0.0079 0.0112 0.0132 1364 ILE 89 HG22 -0.0098 0.0118 0.0115 1365 ILE 89 HG23 -0.0088 0.0114 0.0102 1366 ILE 89 HD11 -0.0088 0.0116 0.0165 1367 ILE 89 HD12 -0.0097 0.0120 0.0175 1368 ILE 89 HD13 -0.0075 0.0111 0.0153 1369 ALA 90 N -0.0192 0.0108 0.0140 1370 ALA 90 CA -0.0209 0.0104 0.0151 1371 ALA 90 C -0.0200 0.0094 0.0138 1372 ALA 90 O -0.0202 0.0104 0.0145 1373 ALA 90 CB -0.0235 0.0086 0.0159 1374 ALA 90 H -0.0198 0.0098 0.0139 1375 ALA 90 HA -0.0211 0.0124 0.0164 1376 ALA 90 HB1 -0.0247 0.0084 0.0168 1377 ALA 90 HB2 -0.0242 0.0094 0.0170 1378 ALA 90 HB3 -0.0234 0.0066 0.0147 1379 ASP 91 N -0.0194 0.0115 0.0095 1380 ASP 91 CA -0.0198 0.0105 0.0083 1381 ASP 91 C -0.0163 0.0127 0.0092 1382 ASP 91 O -0.0172 0.0132 0.0105 1383 ASP 91 CB -0.0199 0.0075 0.0040 1384 ASP 91 CG -0.0240 0.0050 0.0030 1385 ASP 91 OD1 -0.0276 0.0052 0.0054 1386 ASP 91 OD2 -0.0238 0.0028 -0.0004 1387 ASP 91 H -0.0186 0.0105 0.0074 1388 ASP 91 HA -0.0229 0.0102 0.0099 1389 ASP 91 HB3 -0.0194 0.0071 0.0030 1390 ASP 91 HB2 -0.0171 0.0076 0.0022 1391 ALA 92 N -0.0101 0.0092 0.0097 1392 ALA 92 CA -0.0090 0.0101 0.0096 1393 ALA 92 C -0.0094 0.0107 0.0114 1394 ALA 92 O -0.0092 0.0109 0.0114 1395 ALA 92 CB -0.0076 0.0113 0.0092 1396 ALA 92 H -0.0098 0.0094 0.0096 1397 ALA 92 HA -0.0090 0.0096 0.0086 1398 ALA 92 HB1 -0.0068 0.0120 0.0092 1399 ALA 92 HB2 -0.0073 0.0108 0.0079 1400 ALA 92 HB3 -0.0076 0.0118 0.0102 1401 VAL 93 N -0.0121 0.0072 0.0131 1402 VAL 93 CA -0.0114 0.0054 0.0128 1403 VAL 93 C -0.0106 0.0032 0.0123 1404 VAL 93 O -0.0110 0.0015 0.0110 1405 VAL 93 CB -0.0101 0.0058 0.0144 1406 VAL 93 CG1 -0.0090 0.0037 0.0143 1407 VAL 93 CG2 -0.0111 0.0076 0.0144 1408 VAL 93 H -0.0116 0.0083 0.0144 1409 VAL 93 HA -0.0126 0.0053 0.0116 1410 VAL 93 HB -0.0092 0.0064 0.0157 1411 VAL 93 HG11 -0.0081 0.0041 0.0155 1412 VAL 93 HG12 -0.0083 0.0025 0.0143 1413 VAL 93 HG13 -0.0099 0.0031 0.0131 1414 VAL 93 HG21 -0.0102 0.0079 0.0156 1415 VAL 93 HG22 -0.0121 0.0071 0.0131 1416 VAL 93 HG23 -0.0119 0.0091 0.0145 1417 ALA 94 N -0.0119 0.0040 0.0117 1418 ALA 94 CA -0.0114 0.0000 0.0111 1419 ALA 94 C -0.0116 -0.0009 0.0070 1420 ALA 94 O -0.0114 -0.0032 0.0057 1421 ALA 94 CB -0.0109 -0.0022 0.0130 1422 ALA 94 H -0.0119 0.0048 0.0130 1423 ALA 94 HA -0.0112 -0.0007 0.0124 1424 ALA 94 HB1 -0.0105 -0.0051 0.0126 1425 ALA 94 HB2 -0.0107 -0.0016 0.0160 1426 ALA 94 HB3 -0.0111 -0.0014 0.0118 1427 CYS 95 N -0.0058 -0.0008 0.0043 1428 CYS 95 CA -0.0058 -0.0014 0.0007 1429 CYS 95 C -0.0057 0.0004 -0.0003 1430 CYS 95 O -0.0058 -0.0010 -0.0021 1431 CYS 95 CB -0.0058 -0.0006 -0.0014 1432 CYS 95 SG -0.0058 -0.0014 -0.0058 1433 CYS 95 H -0.0057 0.0006 0.0049 1434 CYS 95 HA -0.0060 -0.0040 0.0004 1435 CYS 95 HB3 -0.0056 0.0020 -0.0010 1436 CYS 95 HB2 -0.0059 -0.0020 -0.0005 1437 ALA 96 N -0.0034 0.0009 0.0037 1438 ALA 96 CA -0.0038 0.0015 0.0027 1439 ALA 96 C -0.0033 -0.0009 0.0034 1440 ALA 96 O -0.0038 -0.0016 0.0018 1441 ALA 96 CB -0.0037 0.0044 0.0038 1442 ALA 96 H -0.0030 0.0023 0.0051 1443 ALA 96 HA -0.0045 0.0016 0.0005 1444 ALA 96 HB1 -0.0040 0.0048 0.0030 1445 ALA 96 HB2 -0.0040 0.0061 0.0032 1446 ALA 96 HB3 -0.0029 0.0044 0.0060 1447 LYS 97 N -0.0085 -0.0047 0.0007 1448 LYS 97 CA -0.0076 -0.0068 0.0008 1449 LYS 97 C -0.0075 -0.0089 -0.0009 1450 LYS 97 O -0.0075 -0.0102 -0.0021 1451 LYS 97 CB -0.0064 -0.0074 0.0034 1452 LYS 97 CG -0.0064 -0.0057 0.0050 1453 LYS 97 CD -0.0052 -0.0063 0.0074 1454 LYS 97 CE -0.0051 -0.0048 0.0091 1455 LYS 97 NZ -0.0040 -0.0052 0.0115 1456 LYS 97 H -0.0082 -0.0040 0.0022 1457 LYS 97 HA -0.0080 -0.0065 0.0003 1458 LYS 97 HB3 -0.0057 -0.0092 0.0033 1459 LYS 97 HB2 -0.0061 -0.0074 0.0041 1460 LYS 97 HG3 -0.0071 -0.0039 0.0049 1461 LYS 97 HG2 -0.0066 -0.0059 0.0043 1462 LYS 97 HD3 -0.0045 -0.0082 0.0074 1463 LYS 97 HD2 -0.0050 -0.0061 0.0081 1464 LYS 97 HE3 -0.0059 -0.0029 0.0089 1465 LYS 97 HE2 -0.0052 -0.0051 0.0085 1466 LYS 97 HZ1 -0.0041 -0.0038 0.0126 1467 LYS 97 HZ2 -0.0037 -0.0056 0.0118 1468 LYS 97 HZ3 -0.0033 -0.0066 0.0118 1469 ARG 98 N -0.0054 -0.0106 0.0002 1470 ARG 98 CA -0.0063 -0.0132 -0.0020 1471 ARG 98 C -0.0060 -0.0122 -0.0046 1472 ARG 98 O -0.0065 -0.0139 -0.0052 1473 ARG 98 CB -0.0068 -0.0148 -0.0037 1474 ARG 98 CG -0.0076 -0.0170 -0.0065 1475 ARG 98 CD -0.0086 -0.0200 -0.0053 1476 ARG 98 NE -0.0093 -0.0220 -0.0082 1477 ARG 98 CZ -0.0093 -0.0218 -0.0099 1478 ARG 98 NH1 -0.0085 -0.0196 -0.0092 1479 ARG 98 NH2 -0.0100 -0.0240 -0.0122 1480 ARG 98 H -0.0052 -0.0100 0.0002 1481 ARG 98 HA -0.0069 -0.0151 -0.0005 1482 ARG 98 HB3 -0.0062 -0.0129 -0.0047 1483 ARG 98 HB2 -0.0073 -0.0160 -0.0018 1484 ARG 98 HG3 -0.0072 -0.0158 -0.0084 1485 ARG 98 HG2 -0.0079 -0.0177 -0.0079 1486 ARG 98 HD3 -0.0091 -0.0214 -0.0037 1487 ARG 98 HD2 -0.0084 -0.0193 -0.0038 1488 ARG 98 HE -0.0099 -0.0236 -0.0090 1489 ARG 98 HH12 -0.0085 -0.0196 -0.0105 1490 ARG 98 HH11 -0.0079 -0.0179 -0.0075 1491 ARG 98 HH22 -0.0100 -0.0240 -0.0135 1492 ARG 98 HH21 -0.0106 -0.0257 -0.0127 1493 VAL 99 N -0.0022 -0.0082 -0.0027 1494 VAL 99 CA -0.0008 -0.0072 -0.0036 1495 VAL 99 C -0.0009 -0.0060 -0.0022 1496 VAL 99 O -0.0006 -0.0059 -0.0025 1497 VAL 99 CB 0.0006 -0.0061 -0.0044 1498 VAL 99 CG1 0.0020 -0.0049 -0.0051 1499 VAL 99 CG2 0.0008 -0.0073 -0.0060 1500 VAL 99 H -0.0021 -0.0081 -0.0028 1501 VAL 99 HA -0.0008 -0.0081 -0.0046 1502 VAL 99 HB 0.0005 -0.0053 -0.0034 1503 VAL 99 HG11 0.0030 -0.0041 -0.0057 1504 VAL 99 HG12 0.0019 -0.0039 -0.0039 1505 VAL 99 HG13 0.0021 -0.0056 -0.0061 1506 VAL 99 HG21 0.0018 -0.0065 -0.0065 1507 VAL 99 HG22 0.0009 -0.0082 -0.0070 1508 VAL 99 HG23 -0.0002 -0.0081 -0.0054 1509 VAL 100 N -0.0022 -0.0058 -0.0038 1510 VAL 100 CA -0.0021 -0.0043 -0.0020 1511 VAL 100 C -0.0041 -0.0037 -0.0009 1512 VAL 100 O -0.0040 -0.0024 0.0006 1513 VAL 100 CB -0.0015 -0.0036 -0.0014 1514 VAL 100 CG1 0.0006 -0.0040 -0.0023 1515 VAL 100 CG2 -0.0033 -0.0040 -0.0015 1516 VAL 100 H -0.0027 -0.0064 -0.0044 1517 VAL 100 HA -0.0008 -0.0038 -0.0018 1518 VAL 100 HB -0.0013 -0.0024 -0.0001 1519 VAL 100 HG11 0.0010 -0.0036 -0.0019 1520 VAL 100 HG12 0.0019 -0.0036 -0.0021 1521 VAL 100 HG13 0.0005 -0.0052 -0.0037 1522 VAL 100 HG21 -0.0028 -0.0036 -0.0010 1523 VAL 100 HG22 -0.0037 -0.0052 -0.0027 1524 VAL 100 HG23 -0.0048 -0.0036 -0.0006 1525 ARG 101 N -0.0094 -0.0041 -0.0015 1526 ARG 101 CA -0.0108 -0.0048 -0.0007 1527 ARG 101 C -0.0090 -0.0047 -0.0021 1528 ARG 101 O -0.0096 -0.0044 -0.0014 1529 ARG 101 CB -0.0131 -0.0078 -0.0002 1530 ARG 101 CG -0.0155 -0.0075 0.0019 1531 ARG 101 CD -0.0180 -0.0101 0.0028 1532 ARG 101 NE -0.0178 -0.0132 0.0012 1533 ARG 101 CZ -0.0184 -0.0146 0.0011 1534 ARG 101 NH1 -0.0190 -0.0130 0.0022 1535 ARG 101 NH2 -0.0184 -0.0175 -0.0004 1536 ARG 101 H -0.0094 -0.0060 -0.0024 1537 ARG 101 HA -0.0118 -0.0029 0.0010 1538 ARG 101 HB3 -0.0137 -0.0085 -0.0000 1539 ARG 101 HB2 -0.0124 -0.0097 -0.0016 1540 ARG 101 HG3 -0.0151 -0.0074 0.0016 1541 ARG 101 HG2 -0.0159 -0.0052 0.0033 1542 ARG 101 HD3 -0.0197 -0.0095 0.0044 1543 ARG 101 HD2 -0.0186 -0.0101 0.0032 1544 ARG 101 HE -0.0170 -0.0143 0.0000 1545 ARG 101 HH12 -0.0195 -0.0142 0.0021 1546 ARG 101 HH11 -0.0190 -0.0107 0.0032 1547 ARG 101 HH22 -0.0189 -0.0186 -0.0004 1548 ARG 101 HH21 -0.0178 -0.0187 -0.0013 1549 ASP 102 N -0.0123 -0.0064 0.0002 1550 ASP 102 CA -0.0092 -0.0047 0.0021 1551 ASP 102 C -0.0064 -0.0006 0.0062 1552 ASP 102 O -0.0054 -0.0000 0.0068 1553 ASP 102 CB -0.0045 -0.0080 -0.0008 1554 ASP 102 CG -0.0072 -0.0111 -0.0040 1555 ASP 102 OD1 -0.0127 -0.0111 -0.0044 1556 ASP 102 OD2 -0.0037 -0.0136 -0.0062 1557 ASP 102 H -0.0103 -0.0089 -0.0021 1558 ASP 102 HA -0.0125 -0.0039 0.0027 1559 ASP 102 HB3 -0.0009 -0.0063 0.0010 1560 ASP 102 HB2 -0.0026 -0.0097 -0.0024 1561 PRO 103 N -0.0171 0.0069 0.0184 1562 PRO 103 CA -0.0128 0.0121 0.0261 1563 PRO 103 C -0.0041 -0.0106 0.0310 1564 PRO 103 O -0.0075 -0.0111 0.0260 1565 PRO 103 CB -0.0031 0.0319 0.0464 1566 PRO 103 CG -0.0091 0.0452 0.0422 1567 PRO 103 CD -0.0135 0.0246 0.0293 1568 PRO 103 HA -0.0236 0.0217 0.0141 1569 PRO 103 HB3 -0.0052 0.0460 0.0480 1570 PRO 103 HB2 0.0093 0.0217 0.0606 1571 PRO 103 HG3 -0.0197 0.0607 0.0324 1572 PRO 103 HG2 0.0003 0.0517 0.0576 1573 PRO 103 HD2 -0.0033 0.0147 0.0404 1574 PRO 103 HD3 -0.0241 0.0334 0.0172 1575 GLN 104 N 0.0040 -0.0022 0.0111 1576 GLN 104 CA 0.0073 -0.0016 0.0110 1577 GLN 104 C 0.0081 -0.0014 0.0111 1578 GLN 104 O 0.0106 -0.0007 0.0117 1579 GLN 104 CB 0.0086 -0.0024 0.0081 1580 GLN 104 CG 0.0100 -0.0022 0.0080 1581 GLN 104 CD 0.0118 -0.0029 0.0053 1582 GLN 104 OE1 0.0142 -0.0024 0.0053 1583 GLN 104 NE2 0.0108 -0.0040 0.0029 1584 GLN 104 H 0.0032 -0.0030 0.0094 1585 GLN 104 HA 0.0082 -0.0008 0.0128 1586 GLN 104 HB3 0.0102 -0.0025 0.0072 1587 GLN 104 HB2 0.0069 -0.0033 0.0066 1588 GLN 104 HG3 0.0083 -0.0024 0.0083 1589 GLN 104 HG2 0.0114 -0.0013 0.0098 1590 GLN 104 HE22 0.0119 -0.0045 0.0011 1591 GLN 104 HE21 0.0089 -0.0043 0.0031 1592 GLY 105 N 0.0052 -0.0031 0.0052 1593 GLY 105 CA 0.0068 -0.0036 0.0040 1594 GLY 105 C 0.0086 -0.0042 0.0028 1595 GLY 105 O 0.0083 -0.0039 0.0017 1596 GLY 105 H 0.0037 -0.0025 0.0048 1597 GLY 105 HA3 0.0075 -0.0041 0.0053 1598 GLY 105 HA2 0.0061 -0.0031 0.0028 1599 ILE 106 N 0.0092 0.0002 -0.0004 1600 ILE 106 CA 0.0091 0.0007 -0.0004 1601 ILE 106 C 0.0083 0.0007 -0.0004 1602 ILE 106 O 0.0080 0.0012 -0.0004 1603 ILE 106 CB 0.0097 0.0006 -0.0003 1604 ILE 106 CG1 0.0098 0.0012 -0.0003 1605 ILE 106 CG2 0.0096 -0.0002 -0.0003 1606 ILE 106 CD1 0.0106 0.0013 -0.0003 1607 ILE 106 H 0.0095 -0.0003 -0.0003 1608 ILE 106 HA 0.0092 0.0013 -0.0004 1609 ILE 106 HB 0.0103 0.0006 -0.0003 1610 ILE 106 HG13 0.0096 0.0018 -0.0003 1611 ILE 106 HG12 0.0093 0.0012 -0.0004 1612 ILE 106 HG21 0.0101 -0.0003 -0.0003 1613 ILE 106 HG22 0.0097 -0.0007 -0.0003 1614 ILE 106 HG23 0.0091 -0.0003 -0.0004 1615 ILE 106 HD11 0.0106 0.0018 -0.0003 1616 ILE 106 HD12 0.0110 0.0014 -0.0003 1617 ILE 106 HD13 0.0107 0.0008 -0.0003 1618 ARG 107 N 0.0056 -0.0054 0.0031 1619 ARG 107 CA 0.0004 -0.0049 0.0007 1620 ARG 107 C -0.0025 -0.0014 -0.0006 1621 ARG 107 O -0.0067 -0.0001 -0.0026 1622 ARG 107 CB -0.0018 -0.0105 -0.0004 1623 ARG 107 CG 0.0003 -0.0136 0.0006 1624 ARG 107 CD -0.0017 -0.0194 -0.0003 1625 ARG 107 NE 0.0016 -0.0226 0.0012 1626 ARG 107 CZ 0.0064 -0.0225 0.0034 1627 ARG 107 NH1 0.0083 -0.0224 0.0043 1628 ARG 107 NH2 0.0095 -0.0224 0.0048 1629 ARG 107 H 0.0070 -0.0089 0.0037 1630 ARG 107 HA 0.0003 -0.0030 0.0007 1631 ARG 107 HB3 -0.0058 -0.0101 -0.0022 1632 ARG 107 HB2 -0.0012 -0.0127 -0.0001 1633 ARG 107 HG3 0.0043 -0.0137 0.0025 1634 ARG 107 HG2 -0.0005 -0.0115 0.0003 1635 ARG 107 HD3 -0.0054 -0.0193 -0.0020 1636 ARG 107 HD2 -0.0017 -0.0212 -0.0003 1637 ARG 107 HE 0.0001 -0.0249 0.0005 1638 ARG 107 HH12 0.0120 -0.0223 0.0060 1639 ARG 107 HH11 0.0060 -0.0224 0.0033 1640 ARG 107 HH22 0.0131 -0.0223 0.0065 1641 ARG 107 HH21 0.0081 -0.0225 0.0042 1642 ALA 108 N 0.0070 -0.0012 -0.0006 1643 ALA 108 CA 0.0064 -0.0006 -0.0014 1644 ALA 108 C 0.0057 0.0020 -0.0018 1645 ALA 108 O 0.0047 0.0027 -0.0031 1646 ALA 108 CB 0.0075 -0.0012 -0.0000 1647 ALA 108 H 0.0081 -0.0020 0.0007 1648 ALA 108 HA 0.0055 -0.0017 -0.0028 1649 ALA 108 HB1 0.0070 -0.0007 -0.0006 1650 ALA 108 HB2 0.0079 -0.0032 0.0002 1651 ALA 108 HB3 0.0084 -0.0002 0.0014 1652 TRP 109 N 0.0067 0.0073 -0.0007 1653 TRP 109 CA 0.0064 0.0082 -0.0008 1654 TRP 109 C 0.0062 0.0090 -0.0016 1655 TRP 109 O 0.0061 0.0093 -0.0014 1656 TRP 109 CB 0.0064 0.0087 0.0002 1657 TRP 109 CG 0.0066 0.0083 0.0010 1658 TRP 109 CD1 0.0065 0.0084 0.0012 1659 TRP 109 CD2 0.0068 0.0076 0.0019 1660 TRP 109 NE1 0.0067 0.0079 0.0020 1661 TRP 109 CE2 0.0069 0.0074 0.0025 1662 TRP 109 CE3 0.0069 0.0072 0.0022 1663 TRP 109 CZ2 0.0071 0.0068 0.0033 1664 TRP 109 CZ3 0.0072 0.0065 0.0031 1665 TRP 109 CH2 0.0073 0.0063 0.0036 1666 TRP 109 H 0.0067 0.0072 -0.0002 1667 TRP 109 HA 0.0064 0.0081 -0.0011 1668 TRP 109 HB3 0.0062 0.0095 0.0001 1669 TRP 109 HB2 0.0064 0.0089 0.0006 1670 TRP 109 HD1 0.0064 0.0089 0.0006 1671 TRP 109 HE1 0.0067 0.0080 0.0022 1672 TRP 109 HE3 0.0069 0.0073 0.0018 1673 TRP 109 HZ2 0.0072 0.0066 0.0038 1674 TRP 109 HZ3 0.0073 0.0062 0.0033 1675 TRP 109 HH2 0.0074 0.0059 0.0043 1676 VAL 110 N -0.0057 0.0164 -0.0079 1677 VAL 110 CA -0.0115 0.0129 -0.0096 1678 VAL 110 C -0.0037 0.0171 -0.0073 1679 VAL 110 O -0.0039 0.0101 -0.0061 1680 VAL 110 CB -0.0245 0.0168 -0.0154 1681 VAL 110 CG1 -0.0324 0.0138 -0.0179 1682 VAL 110 CG2 -0.0251 0.0300 -0.0180 1683 VAL 110 H -0.0097 0.0221 -0.0105 1684 VAL 110 HA -0.0121 0.0024 -0.0079 1685 VAL 110 HB -0.0283 0.0105 -0.0157 1686 VAL 110 HG11 -0.0416 0.0169 -0.0221 1687 VAL 110 HG12 -0.0329 0.0035 -0.0163 1688 VAL 110 HG13 -0.0287 0.0189 -0.0174 1689 VAL 110 HG21 -0.0346 0.0323 -0.0221 1690 VAL 110 HG22 -0.0203 0.0370 -0.0173 1691 VAL 110 HG23 -0.0208 0.0304 -0.0163 1692 ALA 111 N 0.0041 0.0142 0.0014 1693 ALA 111 CA 0.0034 0.0151 0.0018 1694 ALA 111 C 0.0046 0.0137 0.0011 1695 ALA 111 O 0.0035 0.0137 0.0006 1696 ALA 111 CB 0.0040 0.0171 0.0038 1697 ALA 111 H 0.0049 0.0150 0.0024 1698 ALA 111 HA 0.0015 0.0154 0.0011 1699 ALA 111 HB1 0.0034 0.0177 0.0040 1700 ALA 111 HB2 0.0031 0.0181 0.0042 1701 ALA 111 HB3 0.0059 0.0168 0.0045 1702 TRP 112 N 0.0037 0.0109 -0.0028 1703 TRP 112 CA 0.0050 0.0094 -0.0021 1704 TRP 112 C 0.0042 0.0077 -0.0013 1705 TRP 112 O 0.0053 0.0066 -0.0008 1706 TRP 112 CB 0.0054 0.0092 -0.0020 1707 TRP 112 CG 0.0068 0.0078 -0.0013 1708 TRP 112 CD1 0.0088 0.0079 -0.0012 1709 TRP 112 CD2 0.0063 0.0059 -0.0004 1710 TRP 112 NE1 0.0096 0.0063 -0.0005 1711 TRP 112 CE2 0.0081 0.0050 0.0001 1712 TRP 112 CE3 0.0046 0.0050 -0.0000 1713 TRP 112 CZ2 0.0081 0.0032 0.0009 1714 TRP 112 CZ3 0.0046 0.0032 0.0008 1715 TRP 112 CH2 0.0064 0.0023 0.0013 1716 TRP 112 H 0.0031 0.0115 -0.0031 1717 TRP 112 HA 0.0065 0.0097 -0.0022 1718 TRP 112 HB3 0.0040 0.0089 -0.0019 1719 TRP 112 HB2 0.0059 0.0105 -0.0026 1720 TRP 112 HD1 0.0095 0.0092 -0.0018 1721 TRP 112 HE1 0.0111 0.0061 -0.0003 1722 TRP 112 HE3 0.0032 0.0057 -0.0004 1723 TRP 112 HZ2 0.0095 0.0026 0.0013 1724 TRP 112 HZ3 0.0032 0.0024 0.0011 1725 TRP 112 HH2 0.0063 0.0009 0.0019 1726 ARG 113 N 0.0035 0.0123 -0.0020 1727 ARG 113 CA -0.0003 0.0066 -0.0029 1728 ARG 113 C -0.0014 0.0104 -0.0041 1729 ARG 113 O -0.0007 0.0065 -0.0031 1730 ARG 113 CB -0.0077 0.0039 -0.0062 1731 ARG 113 CG -0.0076 0.0004 -0.0055 1732 ARG 113 CD -0.0151 -0.0019 -0.0090 1733 ARG 113 NE -0.0157 -0.0017 -0.0093 1734 ARG 113 CZ -0.0217 -0.0017 -0.0124 1735 ARG 113 NH1 -0.0280 -0.0020 -0.0156 1736 ARG 113 NH2 -0.0215 -0.0014 -0.0124 1737 ARG 113 H 0.0011 0.0142 -0.0036 1738 ARG 113 HA 0.0028 0.0015 -0.0003 1739 ARG 113 HB3 -0.0105 -0.0004 -0.0068 1740 ARG 113 HB2 -0.0110 0.0089 -0.0089 1741 ARG 113 HG3 -0.0049 0.0048 -0.0049 1742 ARG 113 HG2 -0.0045 -0.0048 -0.0029 1743 ARG 113 HD3 -0.0168 -0.0079 -0.0087 1744 ARG 113 HD2 -0.0188 0.0020 -0.0116 1745 ARG 113 HE -0.0110 -0.0016 -0.0069 1746 ARG 113 HH12 -0.0326 -0.0020 -0.0180 1747 ARG 113 HH11 -0.0281 -0.0023 -0.0156 1748 ARG 113 HH22 -0.0261 -0.0014 -0.0148 1749 ARG 113 HH21 -0.0168 -0.0012 -0.0100 1750 ASN 114 N 0.0040 0.0138 -0.0053 1751 ASN 114 CA 0.0040 0.0139 -0.0053 1752 ASN 114 C 0.0006 0.0144 -0.0053 1753 ASN 114 O 0.0002 0.0160 -0.0059 1754 ASN 114 CB 0.0055 0.0110 -0.0042 1755 ASN 114 CG 0.0088 0.0101 -0.0041 1756 ASN 114 OD1 0.0106 0.0116 -0.0048 1757 ASN 114 ND2 0.0097 0.0072 -0.0030 1758 ASN 114 H 0.0045 0.0118 -0.0045 1759 ASN 114 HA 0.0055 0.0158 -0.0061 1760 ASN 114 HB3 0.0054 0.0112 -0.0043 1761 ASN 114 HB2 0.0038 0.0091 -0.0034 1762 ASN 114 HD22 0.0120 0.0064 -0.0028 1763 ASN 114 HD21 0.0081 0.0060 -0.0024 1764 ARG 115 N 0.0030 0.0131 -0.0018 1765 ARG 115 CA -0.0026 0.0056 -0.0081 1766 ARG 115 C -0.0006 0.0058 -0.0222 1767 ARG 115 O -0.0059 -0.0013 -0.0283 1768 ARG 115 CB -0.0026 0.0064 -0.0021 1769 ARG 115 CG -0.0052 0.0054 0.0118 1770 ARG 115 CD -0.0146 -0.0053 0.0143 1771 ARG 115 NE -0.0166 -0.0057 0.0281 1772 ARG 115 CZ -0.0244 -0.0143 0.0329 1773 ARG 115 NH1 -0.0299 -0.0220 0.0247 1774 ARG 115 NH2 -0.0263 -0.0148 0.0450 1775 ARG 115 H 0.0086 0.0199 -0.0007 1776 ARG 115 HA -0.0087 -0.0014 -0.0062 1777 ARG 115 HB3 -0.0066 0.0010 -0.0069 1778 ARG 115 HB2 0.0035 0.0133 -0.0040 1779 ARG 115 HG3 -0.0026 0.0091 0.0159 1780 ARG 115 HG2 -0.0030 0.0086 0.0161 1781 ARG 115 HD3 -0.0172 -0.0089 0.0110 1782 ARG 115 HD2 -0.0168 -0.0086 0.0097 1783 ARG 115 HE -0.0121 0.0004 0.0339 1784 ARG 115 HH12 -0.0359 -0.0287 0.0279 1785 ARG 115 HH11 -0.0281 -0.0212 0.0154 1786 ARG 115 HH22 -0.0323 -0.0213 0.0487 1787 ARG 115 HH21 -0.0219 -0.0087 0.0508 1788 CYS 116 N 0.0034 0.0080 -0.0050 1789 CYS 116 CA 0.0019 0.0086 -0.0047 1790 CYS 116 C 0.0015 0.0099 -0.0033 1791 CYS 116 O 0.0010 0.0106 -0.0026 1792 CYS 116 CB 0.0003 0.0080 -0.0056 1793 CYS 116 SG 0.0005 0.0063 -0.0073 1794 CYS 116 H 0.0033 0.0081 -0.0049 1795 CYS 116 HA 0.0023 0.0084 -0.0048 1796 CYS 116 HB3 -0.0008 0.0084 -0.0054 1797 CYS 116 HB2 -0.0003 0.0083 -0.0054 1798 GLN 117 N 0.0040 0.0120 0.0023 1799 GLN 117 CA 0.0032 0.0068 0.0032 1800 GLN 117 C 0.0040 0.0101 0.0034 1801 GLN 117 O 0.0036 0.0146 -0.0007 1802 GLN 117 CB 0.0003 0.0022 -0.0025 1803 GLN 117 CG -0.0007 -0.0034 -0.0022 1804 GLN 117 CD -0.0035 -0.0087 -0.0072 1805 GLN 117 OE1 -0.0043 -0.0149 -0.0057 1806 GLN 117 NE2 -0.0049 -0.0073 -0.0123 1807 GLN 117 H 0.0027 0.0119 -0.0017 1808 GLN 117 HA 0.0041 0.0038 0.0078 1809 GLN 117 HB3 -0.0006 0.0052 -0.0072 1810 GLN 117 HB2 -0.0002 -0.0001 -0.0028 1811 GLN 117 HG3 0.0004 -0.0059 0.0027 1812 GLN 117 HG2 -0.0005 -0.0012 -0.0031 1813 GLN 117 HE22 -0.0067 -0.0110 -0.0155 1814 GLN 117 HE21 -0.0042 -0.0026 -0.0133 1815 ASN 118 N 0.0048 0.0263 0.0332 1816 ASN 118 CA 0.0214 0.0588 0.0476 1817 ASN 118 C 0.0512 0.1214 0.0539 1818 ASN 118 O 0.0668 0.1572 0.0451 1819 ASN 118 CB 0.0127 0.0507 0.0005 1820 ASN 118 CG -0.0164 -0.0110 -0.0037 1821 ASN 118 OD1 -0.0255 -0.0414 0.0438 1822 ASN 118 ND2 -0.0315 -0.0304 -0.0609 1823 ASN 118 H -0.0071 -0.0062 0.0626 1824 ASN 118 HA 0.0186 0.0423 0.0930 1825 ASN 118 HB3 0.0259 0.0764 0.0135 1826 ASN 118 HB2 0.0155 0.0674 -0.0456 1827 ASN 118 HD22 -0.0511 -0.0713 -0.0662 1828 ASN 118 HD21 -0.0234 -0.0042 -0.0990 1829 ARG 119 N 0.0067 0.0099 0.0131 1830 ARG 119 CA 0.0090 0.0148 0.0141 1831 ARG 119 C 0.0120 0.0149 0.0190 1832 ARG 119 O 0.0122 0.0120 0.0208 1833 ARG 119 CB 0.0086 0.0187 0.0112 1834 ARG 119 CG 0.0061 0.0200 0.0064 1835 ARG 119 CD 0.0062 0.0245 0.0040 1836 ARG 119 NE 0.0033 0.0245 -0.0008 1837 ARG 119 CZ 0.0029 0.0285 -0.0038 1838 ARG 119 NH1 0.0049 0.0322 -0.0025 1839 ARG 119 NH2 0.0002 0.0284 -0.0080 1840 ARG 119 H 0.0066 0.0085 0.0137 1841 ARG 119 HA 0.0090 0.0157 0.0136 1842 ARG 119 HB3 0.0107 0.0221 0.0126 1843 ARG 119 HB2 0.0083 0.0175 0.0114 1844 ARG 119 HG3 0.0040 0.0168 0.0047 1845 ARG 119 HG2 0.0062 0.0207 0.0061 1846 ARG 119 HD3 0.0078 0.0279 0.0047 1847 ARG 119 HD2 0.0069 0.0244 0.0052 1848 ARG 119 HE 0.0015 0.0214 -0.0019 1849 ARG 119 HH12 0.0046 0.0352 -0.0048 1850 ARG 119 HH11 0.0069 0.0321 0.0008 1851 ARG 119 HH22 -0.0002 0.0313 -0.0104 1852 ARG 119 HH21 -0.0014 0.0253 -0.0089 1853 ASP 120 N 0.0125 0.0037 0.0245 1854 ASP 120 CA 0.0115 0.0027 0.0171 1855 ASP 120 C 0.0077 -0.0017 -0.0135 1856 ASP 120 O 0.0252 -0.0077 -0.0269 1857 ASP 120 CB 0.0403 -0.0022 0.0244 1858 ASP 120 CG 0.0411 -0.0027 0.0223 1859 ASP 120 OD1 0.0218 -0.0008 0.0095 1860 ASP 120 OD2 0.0611 -0.0056 0.0304 1861 ASP 120 H 0.0301 0.0008 0.0291 1862 ASP 120 HA -0.0039 0.0077 0.0273 1863 ASP 120 HB3 0.0543 -0.0076 0.0106 1864 ASP 120 HB2 0.0460 0.0000 0.0448 1865 VAL 121 N -0.0063 -0.0044 -0.0175 1866 VAL 121 CA -0.0072 -0.0050 -0.0219 1867 VAL 121 C -0.0081 -0.0061 -0.0274 1868 VAL 121 O -0.0092 -0.0063 -0.0315 1869 VAL 121 CB -0.0100 -0.0011 -0.0217 1870 VAL 121 CG1 -0.0088 -0.0007 -0.0169 1871 VAL 121 CG2 -0.0133 0.0033 -0.0221 1872 VAL 121 H -0.0082 -0.0016 -0.0170 1873 VAL 121 HA -0.0049 -0.0080 -0.0215 1874 VAL 121 HB -0.0105 -0.0018 -0.0252 1875 VAL 121 HG11 -0.0109 0.0022 -0.0168 1876 VAL 121 HG12 -0.0066 -0.0038 -0.0171 1877 VAL 121 HG13 -0.0081 -0.0001 -0.0132 1878 VAL 121 HG21 -0.0152 0.0060 -0.0219 1879 VAL 121 HG22 -0.0129 0.0042 -0.0187 1880 VAL 121 HG23 -0.0142 0.0030 -0.0258 1881 ARG 122 N -0.0012 -0.0145 -0.0205 1882 ARG 122 CA 0.0007 -0.0164 -0.0329 1883 ARG 122 C 0.0126 -0.0239 -0.0492 1884 ARG 122 O 0.0111 -0.0242 -0.0643 1885 ARG 122 CB 0.0057 -0.0181 -0.0208 1886 ARG 122 CG 0.0244 -0.0281 -0.0216 1887 ARG 122 CD 0.0271 -0.0293 -0.0191 1888 ARG 122 NE 0.0280 -0.0283 0.0015 1889 ARG 122 CZ 0.0187 -0.0224 0.0143 1890 ARG 122 NH1 0.0019 -0.0137 0.0117 1891 ARG 122 NH2 0.0263 -0.0254 0.0293 1892 ARG 122 H 0.0017 -0.0149 -0.0062 1893 ARG 122 HA -0.0119 -0.0102 -0.0395 1894 ARG 122 HB3 0.0025 -0.0154 -0.0059 1895 ARG 122 HB2 -0.0022 -0.0143 -0.0252 1896 ARG 122 HG3 0.0293 -0.0317 -0.0354 1897 ARG 122 HG2 0.0317 -0.0311 -0.0104 1898 ARG 122 HD3 0.0165 -0.0242 -0.0261 1899 ARG 122 HD2 0.0389 -0.0360 -0.0257 1900 ARG 122 HE 0.0359 -0.0322 0.0058 1901 ARG 122 HH12 -0.0053 -0.0092 0.0213 1902 ARG 122 HH11 -0.0037 -0.0116 0.0001 1903 ARG 122 HH22 0.0193 -0.0209 0.0391 1904 ARG 122 HH21 0.0391 -0.0320 0.0311 1905 GLN 123 N 0.0087 -0.0163 -0.0371 1906 GLN 123 CA 0.0096 -0.0172 -0.0383 1907 GLN 123 C 0.0101 -0.0129 -0.0403 1908 GLN 123 O 0.0118 -0.0131 -0.0429 1909 GLN 123 CB 0.0078 -0.0194 -0.0349 1910 GLN 123 CG 0.0053 -0.0161 -0.0320 1911 GLN 123 CD 0.0033 -0.0184 -0.0283 1912 GLN 123 OE1 0.0011 -0.0181 -0.0250 1913 GLN 123 NE2 0.0040 -0.0205 -0.0286 1914 GLN 123 H 0.0070 -0.0173 -0.0343 1915 GLN 123 HA 0.0116 -0.0196 -0.0405 1916 GLN 123 HB3 0.0074 -0.0223 -0.0333 1917 GLN 123 HB2 0.0089 -0.0209 -0.0360 1918 GLN 123 HG3 0.0057 -0.0136 -0.0334 1919 GLN 123 HG2 0.0044 -0.0141 -0.0312 1920 GLN 123 HE22 0.0027 -0.0221 -0.0262 1921 GLN 123 HE21 0.0057 -0.0204 -0.0313 1922 TYR 124 N -0.0028 -0.0125 -0.0334 1923 TYR 124 CA -0.0014 -0.0096 -0.0317 1924 TYR 124 C 0.0015 -0.0085 -0.0333 1925 TYR 124 O 0.0023 -0.0066 -0.0321 1926 TYR 124 CB -0.0011 -0.0075 -0.0297 1927 TYR 124 CG -0.0041 -0.0083 -0.0277 1928 TYR 124 CD1 -0.0062 -0.0078 -0.0252 1929 TYR 124 CD2 -0.0048 -0.0096 -0.0283 1930 TYR 124 CE1 -0.0088 -0.0085 -0.0233 1931 TYR 124 CE2 -0.0075 -0.0104 -0.0265 1932 TYR 124 CZ -0.0096 -0.0099 -0.0240 1933 TYR 124 OH -0.0123 -0.0106 -0.0221 1934 TYR 124 H -0.0029 -0.0129 -0.0336 1935 TYR 124 HA -0.0030 -0.0096 -0.0301 1936 TYR 124 HB3 -0.0001 -0.0053 -0.0284 1937 TYR 124 HB2 0.0005 -0.0074 -0.0312 1938 TYR 124 HD1 -0.0057 -0.0068 -0.0246 1939 TYR 124 HD2 -0.0033 -0.0100 -0.0303 1940 TYR 124 HE1 -0.0104 -0.0080 -0.0213 1941 TYR 124 HE2 -0.0080 -0.0114 -0.0271 1942 TYR 124 HH -0.0125 -0.0117 -0.0230 1943 VAL 125 N 0.0003 -0.0082 -0.0236 1944 VAL 125 CA 0.0015 -0.0081 -0.0231 1945 VAL 125 C 0.0034 -0.0081 -0.0222 1946 VAL 125 O 0.0045 -0.0081 -0.0217 1947 VAL 125 CB 0.0009 -0.0095 -0.0224 1948 VAL 125 CG1 -0.0008 -0.0094 -0.0233 1949 VAL 125 CG2 0.0007 -0.0111 -0.0215 1950 VAL 125 H 0.0001 -0.0091 -0.0231 1951 VAL 125 HA 0.0016 -0.0070 -0.0238 1952 VAL 125 HB 0.0019 -0.0095 -0.0220 1953 VAL 125 HG11 -0.0012 -0.0104 -0.0228 1954 VAL 125 HG12 -0.0006 -0.0083 -0.0239 1955 VAL 125 HG13 -0.0018 -0.0095 -0.0237 1956 VAL 125 HG21 0.0002 -0.0121 -0.0210 1957 VAL 125 HG22 -0.0003 -0.0112 -0.0219 1958 VAL 125 HG23 0.0019 -0.0112 -0.0208 1959 GLN 126 N 0.0030 -0.0186 -0.0207 1960 GLN 126 CA 0.0169 -0.0110 -0.0056 1961 GLN 126 C 0.0259 -0.0031 -0.0102 1962 GLN 126 O 0.0292 0.0032 -0.0273 1963 GLN 126 CB 0.0282 -0.0027 -0.0034 1964 GLN 126 CG 0.0374 0.0083 -0.0213 1965 GLN 126 CD 0.0545 0.0201 -0.0147 1966 GLN 126 OE1 0.0583 0.0239 -0.0187 1967 GLN 126 NE2 0.0646 0.0258 -0.0044 1968 GLN 126 H 0.0024 -0.0173 -0.0288 1969 GLN 126 HA 0.0123 -0.0177 0.0087 1970 GLN 126 HB3 0.0212 -0.0087 -0.0008 1971 GLN 126 HB2 0.0369 0.0011 0.0102 1972 GLN 126 HG3 0.0380 0.0105 -0.0295 1973 GLN 126 HG2 0.0308 0.0053 -0.0315 1974 GLN 126 HE22 0.0762 0.0337 0.0004 1975 GLN 126 HE21 0.0609 0.0222 -0.0014 1976 GLY 127 N 0.0352 -0.0029 0.0070 1977 GLY 127 CA 0.0406 0.0027 0.0083 1978 GLY 127 C 0.0316 -0.0068 0.0019 1979 GLY 127 O 0.0353 -0.0029 0.0011 1980 GLY 127 H 0.0319 -0.0066 0.0196 1981 GLY 127 HA3 0.0498 0.0126 0.0001 1982 GLY 127 HA2 0.0438 0.0062 0.0231 1983 CYS 128 N -0.0007 -0.0031 -0.0071 1984 CYS 128 CA -0.0014 -0.0050 -0.0073 1985 CYS 128 C -0.0028 -0.0060 -0.0056 1986 CYS 128 O -0.0034 -0.0075 -0.0057 1987 CYS 128 CB -0.0011 -0.0064 -0.0090 1988 CYS 128 SG 0.0004 -0.0056 -0.0111 1989 CYS 128 H -0.0005 -0.0030 -0.0074 1990 CYS 128 HA -0.0012 -0.0048 -0.0076 1991 CYS 128 HB3 -0.0017 -0.0078 -0.0091 1992 CYS 128 HB2 -0.0013 -0.0066 -0.0087 1993 GLY 129 N -0.0094 -0.0073 -0.0009 1994 GLY 129 CA -0.0122 -0.0070 -0.0006 1995 GLY 129 C -0.0118 -0.0067 -0.0006 1996 GLY 129 O -0.0138 -0.0076 -0.0004 1997 GLY 129 H -0.0086 -0.0054 -0.0008 1998 GLY 129 HA3 -0.0137 -0.0090 -0.0005 1999 GLY 129 HA2 -0.0135 -0.0051 -0.0003 2000 VAL 130 N -0.0089 -0.0079 -0.0031 2001 VAL 130 CA -0.0077 -0.0096 -0.0038 2002 VAL 130 C -0.0075 -0.0104 -0.0054 2003 VAL 130 O -0.0066 -0.0119 -0.0061 2004 VAL 130 CB -0.0078 -0.0099 -0.0046 2005 VAL 130 CG1 -0.0077 -0.0094 -0.0030 2006 VAL 130 CG2 -0.0090 -0.0089 -0.0064 2007 VAL 130 OXT -0.0083 -0.0095 -0.0058 2008 VAL 130 H -0.0098 -0.0071 -0.0041 2009 VAL 130 HA -0.0069 -0.0103 -0.0025 2010 VAL 130 HB -0.0069 -0.0112 -0.0052 2011 VAL 130 HG11 -0.0077 -0.0096 -0.0037 2012 VAL 130 HG12 -0.0068 -0.0102 -0.0018 2013 VAL 130 HG13 -0.0086 -0.0081 -0.0024 2014 VAL 130 HG21 -0.0090 -0.0091 -0.0070 2015 VAL 130 HG22 -0.0098 -0.0076 -0.0059 2016 VAL 130 HG23 -0.0089 -0.0094 -0.0076