1 MET 1 N 0.0082 -0.0095 0.0073 2 MET 1 CA 0.0075 -0.0089 0.0061 3 MET 1 C 0.0072 -0.0085 0.0059 4 MET 1 O 0.0076 -0.0083 0.0068 5 MET 1 CB 0.0071 -0.0077 0.0062 6 MET 1 CG 0.0072 -0.0067 0.0072 7 MET 1 SD 0.0067 -0.0052 0.0072 8 MET 1 CE 0.0063 -0.0041 0.0073 9 MET 1 H1 0.0084 -0.0103 0.0072 10 MET 1 H2 0.0083 -0.0097 0.0074 11 MET 1 H3 0.0083 -0.0089 0.0080 12 MET 1 HA 0.0073 -0.0096 0.0054 13 MET 1 HB2 0.0072 -0.0079 0.0064 14 MET 1 HB3 0.0065 -0.0073 0.0053 15 MET 1 HG2 0.0070 -0.0065 0.0070 16 MET 1 HG3 0.0077 -0.0070 0.0081 17 MET 1 HE1 0.0068 -0.0041 0.0082 18 MET 1 HE2 0.0061 -0.0043 0.0066 19 MET 1 HE3 0.0060 -0.0031 0.0073 20 ILE 2 N 0.0072 -0.0064 0.0038 21 ILE 2 CA 0.0070 -0.0062 0.0035 22 ILE 2 C 0.0073 -0.0061 0.0034 23 ILE 2 O 0.0074 -0.0062 0.0036 24 ILE 2 CB 0.0066 -0.0064 0.0035 25 ILE 2 CG1 0.0064 -0.0066 0.0036 26 ILE 2 CG2 0.0064 -0.0062 0.0032 27 ILE 2 CD1 0.0060 -0.0066 0.0035 28 ILE 2 H 0.0071 -0.0066 0.0040 29 ILE 2 HA 0.0070 -0.0061 0.0034 30 ILE 2 HB 0.0066 -0.0065 0.0036 31 ILE 2 HG12 0.0064 -0.0067 0.0038 32 ILE 2 HG13 0.0065 -0.0065 0.0036 33 ILE 2 HG21 0.0066 -0.0061 0.0031 34 ILE 2 HG22 0.0064 -0.0061 0.0030 35 ILE 2 HG23 0.0062 -0.0063 0.0031 36 ILE 2 HD11 0.0059 -0.0067 0.0035 37 ILE 2 HD12 0.0059 -0.0065 0.0032 38 ILE 2 HD13 0.0059 -0.0068 0.0036 39 SER 3 N 0.0064 -0.0052 0.0044 40 SER 3 CA 0.0059 -0.0042 0.0043 41 SER 3 C 0.0059 -0.0042 0.0039 42 SER 3 O 0.0062 -0.0048 0.0043 43 SER 3 CB 0.0057 -0.0036 0.0053 44 SER 3 OG 0.0056 -0.0033 0.0055 45 SER 3 H 0.0067 -0.0057 0.0047 46 SER 3 HA 0.0057 -0.0039 0.0037 47 SER 3 HB2 0.0054 -0.0030 0.0053 48 SER 3 HB3 0.0060 -0.0040 0.0060 49 SER 3 HG 0.0055 -0.0030 0.0061 50 LEU 4 N 0.0059 -0.0031 0.0034 51 LEU 4 CA 0.0059 -0.0031 0.0035 52 LEU 4 C 0.0051 -0.0025 0.0044 53 LEU 4 O 0.0043 -0.0019 0.0042 54 LEU 4 CB 0.0058 -0.0030 0.0024 55 LEU 4 CG 0.0065 -0.0035 0.0016 56 LEU 4 CD1 0.0074 -0.0042 0.0018 57 LEU 4 CD2 0.0062 -0.0032 0.0004 58 LEU 4 H 0.0055 -0.0028 0.0028 59 LEU 4 HA 0.0064 -0.0036 0.0039 60 LEU 4 HB2 0.0054 -0.0026 0.0026 61 LEU 4 HB3 0.0053 -0.0026 0.0019 62 LEU 4 HG 0.0066 -0.0036 0.0017 63 LEU 4 HD11 0.0076 -0.0045 0.0026 64 LEU 4 HD12 0.0073 -0.0042 0.0016 65 LEU 4 HD13 0.0079 -0.0046 0.0012 66 LEU 4 HD21 0.0061 -0.0031 0.0003 67 LEU 4 HD22 0.0056 -0.0027 0.0002 68 LEU 4 HD23 0.0067 -0.0036 -0.0002 69 ILE 5 N 0.0046 -0.0018 0.0039 70 ILE 5 CA 0.0045 -0.0018 0.0040 71 ILE 5 C 0.0048 -0.0019 0.0038 72 ILE 5 O 0.0049 -0.0022 0.0038 73 ILE 5 CB 0.0043 -0.0020 0.0043 74 ILE 5 CG1 0.0041 -0.0019 0.0044 75 ILE 5 CG2 0.0044 -0.0024 0.0043 76 ILE 5 CD1 0.0039 -0.0021 0.0046 77 ILE 5 H 0.0047 -0.0020 0.0039 78 ILE 5 HA 0.0044 -0.0015 0.0040 79 ILE 5 HB 0.0042 -0.0020 0.0044 80 ILE 5 HG12 0.0039 -0.0017 0.0045 81 ILE 5 HG13 0.0042 -0.0017 0.0043 82 ILE 5 HG21 0.0045 -0.0025 0.0042 83 ILE 5 HG22 0.0044 -0.0025 0.0042 84 ILE 5 HG23 0.0042 -0.0026 0.0045 85 ILE 5 HD11 0.0038 -0.0023 0.0047 86 ILE 5 HD12 0.0040 -0.0023 0.0045 87 ILE 5 HD13 0.0037 -0.0019 0.0047 88 ALA 6 N 0.0027 -0.0006 0.0051 89 ALA 6 CA 0.0024 -0.0005 0.0055 90 ALA 6 C 0.0014 -0.0003 0.0058 91 ALA 6 O 0.0008 -0.0003 0.0054 92 ALA 6 CB 0.0024 -0.0007 0.0048 93 ALA 6 H 0.0022 -0.0006 0.0049 94 ALA 6 HA 0.0028 -0.0005 0.0060 95 ALA 6 HB1 0.0031 -0.0008 0.0045 96 ALA 6 HB2 0.0019 -0.0007 0.0042 97 ALA 6 HB3 0.0022 -0.0006 0.0051 98 ALA 7 N -0.0005 0.0015 0.0064 99 ALA 7 CA -0.0009 0.0014 0.0066 100 ALA 7 C -0.0016 0.0013 0.0069 101 ALA 7 O -0.0019 0.0017 0.0072 102 ALA 7 CB -0.0007 0.0021 0.0067 103 ALA 7 H -0.0005 0.0020 0.0065 104 ALA 7 HA -0.0008 0.0009 0.0064 105 ALA 7 HB1 -0.0002 0.0020 0.0064 106 ALA 7 HB2 -0.0007 0.0026 0.0068 107 ALA 7 HB3 -0.0011 0.0020 0.0069 108 LEU 8 N -0.0030 0.0014 0.0077 109 LEU 8 CA -0.0036 0.0012 0.0076 110 LEU 8 C -0.0047 0.0011 0.0082 111 LEU 8 O -0.0053 0.0009 0.0079 112 LEU 8 CB -0.0037 0.0008 0.0065 113 LEU 8 CG -0.0027 0.0009 0.0059 114 LEU 8 CD1 -0.0018 0.0010 0.0057 115 LEU 8 CD2 -0.0031 0.0004 0.0048 116 LEU 8 H -0.0034 0.0012 0.0074 117 LEU 8 HA -0.0031 0.0014 0.0080 118 LEU 8 HB2 -0.0043 0.0007 0.0065 119 LEU 8 HB3 -0.0040 0.0006 0.0061 120 LEU 8 HG -0.0025 0.0010 0.0063 121 LEU 8 HD11 -0.0014 0.0014 0.0064 122 LEU 8 HD12 -0.0021 0.0009 0.0054 123 LEU 8 HD13 -0.0012 0.0010 0.0052 124 LEU 8 HD21 -0.0033 0.0002 0.0044 125 LEU 8 HD22 -0.0037 0.0003 0.0049 126 LEU 8 HD23 -0.0024 0.0005 0.0043 127 ALA 9 N -0.0047 0.0006 0.0096 128 ALA 9 CA -0.0058 0.0002 0.0103 129 ALA 9 C -0.0066 -0.0009 0.0103 130 ALA 9 O -0.0063 -0.0013 0.0096 131 ALA 9 CB -0.0060 0.0012 0.0115 132 ALA 9 H -0.0045 0.0013 0.0100 133 ALA 9 HA -0.0058 -0.0003 0.0100 134 ALA 9 HB1 -0.0055 0.0018 0.0114 135 ALA 9 HB2 -0.0060 0.0017 0.0118 136 ALA 9 HB3 -0.0069 0.0008 0.0120 137 VAL 10 N -0.0079 -0.0023 0.0109 138 VAL 10 CA -0.0094 -0.0043 0.0112 139 VAL 10 C -0.0100 -0.0038 0.0120 140 VAL 10 O -0.0104 -0.0020 0.0132 141 VAL 10 CB -0.0110 -0.0051 0.0121 142 VAL 10 CG1 -0.0129 -0.0061 0.0133 143 VAL 10 CG2 -0.0105 -0.0069 0.0108 144 VAL 10 H -0.0082 -0.0013 0.0117 145 VAL 10 HA -0.0088 -0.0057 0.0101 146 VAL 10 HB -0.0110 -0.0036 0.0129 147 VAL 10 HG11 -0.0133 -0.0050 0.0142 148 VAL 10 HG12 -0.0130 -0.0076 0.0126 149 VAL 10 HG13 -0.0139 -0.0065 0.0139 150 VAL 10 HG21 -0.0105 -0.0084 0.0101 151 VAL 10 HG22 -0.0091 -0.0063 0.0100 152 VAL 10 HG23 -0.0115 -0.0074 0.0115 153 ASP 11 N -0.0103 -0.0035 0.0092 154 ASP 11 CA -0.0097 -0.0031 0.0093 155 ASP 11 C -0.0079 -0.0022 0.0086 156 ASP 11 O -0.0071 -0.0015 0.0091 157 ASP 11 CB -0.0103 -0.0028 0.0112 158 ASP 11 CG -0.0102 -0.0025 0.0118 159 ASP 11 OD1 -0.0113 -0.0029 0.0126 160 ASP 11 OD2 -0.0088 -0.0016 0.0116 161 ASP 11 H -0.0106 -0.0041 0.0081 162 ASP 11 HA -0.0101 -0.0037 0.0085 163 ASP 11 HB2 -0.0097 -0.0021 0.0120 164 ASP 11 HB3 -0.0115 -0.0035 0.0115 165 ARG 12 N -0.0093 0.0000 0.0066 166 ARG 12 CA -0.0070 0.0001 0.0063 167 ARG 12 C -0.0051 -0.0001 0.0085 168 ARG 12 O -0.0028 -0.0001 0.0081 169 ARG 12 CB -0.0060 0.0003 0.0036 170 ARG 12 CG -0.0078 0.0004 0.0015 171 ARG 12 CD -0.0065 0.0006 -0.0003 172 ARG 12 NE -0.0060 0.0007 -0.0028 173 ARG 12 CZ -0.0047 0.0007 -0.0027 174 ARG 12 NH1 -0.0032 0.0006 -0.0006 175 ARG 12 NH2 -0.0053 0.0009 -0.0042 176 ARG 12 H -0.0110 0.0000 0.0068 177 ARG 12 HA -0.0076 0.0000 0.0063 178 ARG 12 HB2 -0.0041 0.0003 0.0034 179 ARG 12 HB3 -0.0057 0.0003 0.0033 180 ARG 12 HG2 -0.0087 0.0005 0.0004 181 ARG 12 HG3 -0.0094 0.0003 0.0025 182 ARG 12 HD2 -0.0078 0.0006 -0.0007 183 ARG 12 HD3 -0.0047 0.0005 0.0005 184 ARG 12 HE -0.0065 0.0009 -0.0045 185 ARG 12 HH11 -0.0024 0.0006 -0.0002 186 ARG 12 HH12 -0.0027 0.0005 0.0006 187 ARG 12 HH21 -0.0065 0.0010 -0.0058 188 ARG 12 HH22 -0.0046 0.0008 -0.0039 189 VAL 13 N -0.0057 0.0004 0.0096 190 VAL 13 CA -0.0052 0.0013 0.0107 191 VAL 13 C -0.0041 0.0018 0.0106 192 VAL 13 O -0.0043 0.0015 0.0104 193 VAL 13 CB -0.0063 0.0015 0.0119 194 VAL 13 CG1 -0.0057 0.0024 0.0132 195 VAL 13 CG2 -0.0071 0.0012 0.0122 196 VAL 13 H -0.0066 0.0000 0.0096 197 VAL 13 HA -0.0047 0.0016 0.0108 198 VAL 13 HB -0.0069 0.0011 0.0118 199 VAL 13 HG11 -0.0053 0.0026 0.0131 200 VAL 13 HG12 -0.0050 0.0028 0.0133 201 VAL 13 HG13 -0.0066 0.0025 0.0140 202 VAL 13 HG21 -0.0065 0.0016 0.0124 203 VAL 13 HG22 -0.0076 0.0006 0.0114 204 VAL 13 HG23 -0.0079 0.0013 0.0131 205 ILE 14 N -0.0030 0.0019 0.0098 206 ILE 14 CA -0.0014 0.0020 0.0107 207 ILE 14 C -0.0006 0.0027 0.0123 208 ILE 14 O 0.0005 0.0029 0.0133 209 ILE 14 CB 0.0001 0.0011 0.0095 210 ILE 14 CG1 0.0009 0.0006 0.0087 211 ILE 14 CG2 -0.0007 0.0006 0.0082 212 ILE 14 CD1 0.0027 -0.0001 0.0078 213 ILE 14 H -0.0028 0.0016 0.0094 214 ILE 14 HA -0.0019 0.0023 0.0111 215 ILE 14 HB 0.0012 0.0013 0.0103 216 ILE 14 HG12 0.0012 0.0010 0.0097 217 ILE 14 HG13 -0.0001 0.0003 0.0078 218 ILE 14 HG21 -0.0013 0.0010 0.0088 219 ILE 14 HG22 -0.0017 0.0004 0.0073 220 ILE 14 HG23 0.0004 0.0001 0.0075 221 ILE 14 HD11 0.0038 0.0001 0.0088 222 ILE 14 HD12 0.0025 -0.0006 0.0069 223 ILE 14 HD13 0.0031 -0.0005 0.0072 224 GLY 15 N -0.0013 0.0032 0.0120 225 GLY 15 CA -0.0010 0.0035 0.0127 226 GLY 15 C -0.0013 0.0036 0.0133 227 GLY 15 O -0.0017 0.0034 0.0131 228 GLY 15 H -0.0016 0.0030 0.0119 229 GLY 15 HA2 -0.0004 0.0037 0.0126 230 GLY 15 HA3 -0.0011 0.0035 0.0130 231 MET 16 N -0.0010 0.0025 0.0125 232 MET 16 CA -0.0011 0.0027 0.0138 233 MET 16 C -0.0000 0.0034 0.0148 234 MET 16 O 0.0003 0.0035 0.0147 235 MET 16 CB -0.0026 0.0023 0.0146 236 MET 16 CG -0.0029 0.0024 0.0159 237 MET 16 SD -0.0031 0.0022 0.0155 238 MET 16 CE -0.0041 0.0021 0.0171 239 MET 16 H -0.0004 0.0028 0.0126 240 MET 16 HA -0.0010 0.0027 0.0136 241 MET 16 HB2 -0.0027 0.0023 0.0149 242 MET 16 HB3 -0.0033 0.0018 0.0138 243 MET 16 HG2 -0.0022 0.0028 0.0167 244 MET 16 HG3 -0.0039 0.0020 0.0164 245 MET 16 HE1 -0.0049 0.0018 0.0174 246 MET 16 HE2 -0.0035 0.0025 0.0180 247 MET 16 HE3 -0.0045 0.0019 0.0170 248 GLU 17 N -0.0010 -0.0017 0.0132 249 GLU 17 CA 0.0005 -0.0026 0.0145 250 GLU 17 C 0.0018 -0.0035 0.0144 251 GLU 17 O 0.0021 -0.0039 0.0127 252 GLU 17 CB 0.0001 -0.0022 0.0167 253 GLU 17 CG -0.0008 -0.0015 0.0170 254 GLU 17 CD -0.0011 -0.0012 0.0193 255 GLU 17 OE1 -0.0003 -0.0016 0.0202 256 GLU 17 OE2 -0.0021 -0.0004 0.0201 257 GLU 17 H -0.0011 -0.0017 0.0118 258 GLU 17 HA 0.0011 -0.0031 0.0138 259 GLU 17 HB2 0.0013 -0.0030 0.0175 260 GLU 17 HB3 -0.0005 -0.0017 0.0174 261 GLU 17 HG2 -0.0020 -0.0008 0.0162 262 GLU 17 HG3 -0.0000 -0.0021 0.0164 263 ASN 18 N 0.0045 -0.0100 0.0128 264 ASN 18 CA 0.0059 -0.0108 0.0126 265 ASN 18 C 0.0054 -0.0100 0.0138 266 ASN 18 O 0.0067 -0.0101 0.0150 267 ASN 18 CB 0.0079 -0.0116 0.0132 268 ASN 18 CG 0.0094 -0.0125 0.0128 269 ASN 18 ND2 0.0110 -0.0128 0.0140 270 ASN 18 OD1 0.0091 -0.0130 0.0114 271 ASN 18 H 0.0042 -0.0092 0.0141 272 ASN 18 HA 0.0056 -0.0113 0.0111 273 ASN 18 HB2 0.0082 -0.0110 0.0148 274 ASN 18 HB3 0.0080 -0.0120 0.0123 275 ASN 18 HD21 0.0119 -0.0134 0.0138 276 ASN 18 HD22 0.0113 -0.0124 0.0152 277 ALA 19 N 0.0002 -0.0018 0.0110 278 ALA 19 CA -0.0012 -0.0017 0.0117 279 ALA 19 C -0.0022 -0.0006 0.0109 280 ALA 19 O -0.0019 -0.0001 0.0098 281 ALA 19 CB -0.0013 -0.0023 0.0127 282 ALA 19 H 0.0005 -0.0015 0.0104 283 ALA 19 HA -0.0014 -0.0019 0.0122 284 ALA 19 HB1 -0.0005 -0.0030 0.0133 285 ALA 19 HB2 -0.0011 -0.0020 0.0123 286 ALA 19 HB3 -0.0023 -0.0022 0.0134 287 MET 20 N -0.0037 0.0051 0.0099 288 MET 20 CA -0.0044 0.0037 0.0093 289 MET 20 C -0.0053 0.0028 0.0103 290 MET 20 O -0.0052 0.0029 0.0105 291 MET 20 CB -0.0041 0.0034 0.0076 292 MET 20 CG -0.0033 0.0041 0.0067 293 MET 20 SD -0.0030 0.0038 0.0047 294 MET 20 CE -0.0026 0.0043 0.0044 295 MET 20 H -0.0035 0.0054 0.0099 296 MET 20 HA -0.0045 0.0035 0.0093 297 MET 20 HB2 -0.0047 0.0023 0.0072 298 MET 20 HB3 -0.0039 0.0037 0.0075 299 MET 20 HG2 -0.0028 0.0052 0.0070 300 MET 20 HG3 -0.0036 0.0039 0.0069 301 MET 20 HE1 -0.0021 0.0054 0.0050 302 MET 20 HE2 -0.0031 0.0037 0.0049 303 MET 20 HE3 -0.0022 0.0043 0.0032 304 PRO 21 N -0.0037 0.0059 0.0133 305 PRO 21 CA -0.0045 0.0062 0.0136 306 PRO 21 C -0.0042 0.0061 0.0135 307 PRO 21 O -0.0049 0.0061 0.0137 308 PRO 21 CB -0.0056 0.0054 0.0137 309 PRO 21 CG -0.0053 0.0046 0.0133 310 PRO 21 CD -0.0042 0.0050 0.0131 311 PRO 21 HA -0.0047 0.0070 0.0140 312 PRO 21 HB2 -0.0063 0.0059 0.0140 313 PRO 21 HB3 -0.0059 0.0050 0.0136 314 PRO 21 HG2 -0.0060 0.0045 0.0134 315 PRO 21 HG3 -0.0053 0.0038 0.0130 316 PRO 21 HD2 -0.0037 0.0043 0.0127 317 PRO 21 HD3 -0.0044 0.0054 0.0133 318 TRP 22 N -0.0044 0.0078 0.0082 319 TRP 22 CA -0.0032 0.0071 0.0072 320 TRP 22 C -0.0023 0.0081 0.0059 321 TRP 22 O -0.0026 0.0092 0.0057 322 TRP 22 CB -0.0026 0.0054 0.0074 323 TRP 22 CG -0.0025 0.0054 0.0073 324 TRP 22 CD1 -0.0017 0.0058 0.0063 325 TRP 22 CD2 -0.0034 0.0049 0.0084 326 TRP 22 NE1 -0.0019 0.0055 0.0066 327 TRP 22 CE2 -0.0029 0.0049 0.0079 328 TRP 22 CE3 -0.0044 0.0043 0.0097 329 TRP 22 CZ2 -0.0035 0.0044 0.0087 330 TRP 22 CZ3 -0.0050 0.0038 0.0105 331 TRP 22 CH2 -0.0045 0.0039 0.0100 332 TRP 22 H -0.0045 0.0085 0.0079 333 TRP 22 HA -0.0033 0.0069 0.0074 334 TRP 22 HB2 -0.0032 0.0046 0.0083 335 TRP 22 HB3 -0.0016 0.0049 0.0066 336 TRP 22 HD1 -0.0009 0.0062 0.0053 337 TRP 22 HE1 -0.0013 0.0057 0.0060 338 TRP 22 HE3 -0.0048 0.0043 0.0101 339 TRP 22 HZ2 -0.0031 0.0045 0.0082 340 TRP 22 HZ3 -0.0058 0.0034 0.0115 341 TRP 22 HH2 -0.0049 0.0034 0.0106 342 ASN 23 N -0.0010 0.0095 -0.0001 343 ASN 23 CA -0.0004 0.0105 -0.0029 344 ASN 23 C 0.0015 0.0086 -0.0038 345 ASN 23 O 0.0029 0.0072 -0.0045 346 ASN 23 CB -0.0004 0.0113 -0.0044 347 ASN 23 CG -0.0010 0.0134 -0.0066 348 ASN 23 OD1 -0.0001 0.0133 -0.0084 349 ASN 23 ND2 -0.0027 0.0153 -0.0064 350 ASN 23 H 0.0000 0.0080 0.0004 351 ASN 23 HA -0.0015 0.0119 -0.0031 352 ASN 23 HB2 0.0011 0.0099 -0.0052 353 ASN 23 HB3 -0.0013 0.0117 -0.0031 354 ASN 23 HD21 -0.0034 0.0152 -0.0048 355 ASN 23 HD22 -0.0033 0.0168 -0.0077 356 LEU 24 N -0.0006 0.0081 -0.0037 357 LEU 24 CA 0.0014 0.0068 -0.0037 358 LEU 24 C 0.0017 0.0075 -0.0049 359 LEU 24 O 0.0012 0.0071 -0.0040 360 LEU 24 CB 0.0014 0.0052 -0.0014 361 LEU 24 CG 0.0009 0.0045 -0.0001 362 LEU 24 CD1 0.0012 0.0028 0.0020 363 LEU 24 CD2 0.0023 0.0043 -0.0012 364 LEU 24 H -0.0019 0.0086 -0.0032 365 LEU 24 HA 0.0028 0.0065 -0.0046 366 LEU 24 HB2 0.0029 0.0042 -0.0015 367 LEU 24 HB3 0.0001 0.0054 -0.0007 368 LEU 24 HG -0.0008 0.0054 0.0002 369 LEU 24 HD11 0.0001 0.0029 0.0028 370 LEU 24 HD12 0.0028 0.0018 0.0018 371 LEU 24 HD13 0.0008 0.0024 0.0030 372 LEU 24 HD21 0.0040 0.0035 -0.0015 373 LEU 24 HD22 0.0021 0.0056 -0.0026 374 LEU 24 HD23 0.0021 0.0038 -0.0002 375 PRO 25 N 0.0023 0.0091 -0.0086 376 PRO 25 CA 0.0029 0.0096 -0.0096 377 PRO 25 C 0.0055 0.0077 -0.0072 378 PRO 25 O 0.0047 0.0076 -0.0068 379 PRO 25 CB 0.0047 0.0115 -0.0134 380 PRO 25 CG 0.0053 0.0121 -0.0144 381 PRO 25 CD 0.0027 0.0108 -0.0117 382 PRO 25 HA -0.0000 0.0100 -0.0095 383 PRO 25 HB2 0.0026 0.0129 -0.0151 384 PRO 25 HB3 0.0076 0.0112 -0.0137 385 PRO 25 HG2 0.0043 0.0138 -0.0170 386 PRO 25 HG3 0.0084 0.0115 -0.0144 387 PRO 25 HD2 0.0040 0.0103 -0.0111 388 PRO 25 HD3 -0.0003 0.0118 -0.0126 389 ALA 26 N 0.0053 0.0062 -0.0059 390 ALA 26 CA 0.0066 0.0052 -0.0044 391 ALA 26 C 0.0052 0.0044 -0.0020 392 ALA 26 O 0.0055 0.0039 -0.0010 393 ALA 26 CB 0.0091 0.0046 -0.0041 394 ALA 26 H 0.0058 0.0062 -0.0060 395 ALA 26 HA 0.0069 0.0055 -0.0051 396 ALA 26 HB1 0.0100 0.0052 -0.0058 397 ALA 26 HB2 0.0089 0.0043 -0.0034 398 ALA 26 HB3 0.0101 0.0038 -0.0030 399 ASP 27 N 0.0033 0.0036 -0.0012 400 ASP 27 CA 0.0024 0.0032 -0.0001 401 ASP 27 C 0.0013 0.0037 -0.0004 402 ASP 27 O 0.0011 0.0034 0.0002 403 ASP 27 CB 0.0016 0.0030 0.0005 404 ASP 27 CG 0.0004 0.0026 0.0016 405 ASP 27 OD1 0.0007 0.0019 0.0024 406 ASP 27 OD2 -0.0008 0.0030 0.0017 407 ASP 27 H 0.0031 0.0040 -0.0016 408 ASP 27 HA 0.0029 0.0025 0.0005 409 ASP 27 HB2 0.0011 0.0036 -0.0001 410 ASP 27 HB3 0.0023 0.0025 0.0008 411 LEU 28 N 0.0015 0.0041 -0.0018 412 LEU 28 CA 0.0012 0.0043 -0.0020 413 LEU 28 C 0.0030 0.0042 -0.0017 414 LEU 28 O 0.0029 0.0034 -0.0013 415 LEU 28 CB 0.0002 0.0059 -0.0031 416 LEU 28 CG -0.0018 0.0060 -0.0034 417 LEU 28 CD1 -0.0026 0.0077 -0.0044 418 LEU 28 CD2 -0.0032 0.0047 -0.0027 419 LEU 28 H 0.0013 0.0051 -0.0024 420 LEU 28 HA 0.0002 0.0033 -0.0015 421 LEU 28 HB2 0.0002 0.0061 -0.0032 422 LEU 28 HB3 0.0011 0.0069 -0.0036 423 LEU 28 HG -0.0018 0.0059 -0.0033 424 LEU 28 HD11 -0.0016 0.0086 -0.0049 425 LEU 28 HD12 -0.0026 0.0078 -0.0046 426 LEU 28 HD13 -0.0040 0.0077 -0.0046 427 LEU 28 HD21 -0.0031 0.0047 -0.0027 428 LEU 28 HD22 -0.0028 0.0035 -0.0019 429 LEU 28 HD23 -0.0046 0.0049 -0.0030 430 ALA 29 N 0.0030 0.0041 -0.0015 431 ALA 29 CA 0.0042 0.0039 -0.0007 432 ALA 29 C 0.0044 0.0027 0.0004 433 ALA 29 O 0.0049 0.0022 0.0012 434 ALA 29 CB 0.0055 0.0050 -0.0009 435 ALA 29 H 0.0031 0.0048 -0.0020 436 ALA 29 HA 0.0040 0.0039 -0.0008 437 ALA 29 HB1 0.0053 0.0059 -0.0018 438 ALA 29 HB2 0.0057 0.0051 -0.0009 439 ALA 29 HB3 0.0064 0.0049 -0.0004 440 TRP 30 N 0.0012 0.0019 0.0023 441 TRP 30 CA 0.0012 0.0020 0.0027 442 TRP 30 C 0.0009 0.0018 0.0027 443 TRP 30 O 0.0007 0.0017 0.0031 444 TRP 30 CB 0.0015 0.0022 0.0026 445 TRP 30 CG 0.0015 0.0023 0.0029 446 TRP 30 CD1 0.0015 0.0022 0.0027 447 TRP 30 CD2 0.0016 0.0025 0.0033 448 TRP 30 NE1 0.0015 0.0024 0.0030 449 TRP 30 CE2 0.0016 0.0025 0.0033 450 TRP 30 CE3 0.0016 0.0026 0.0036 451 TRP 30 CZ2 0.0016 0.0027 0.0037 452 TRP 30 CZ3 0.0017 0.0028 0.0040 453 TRP 30 CH2 0.0017 0.0028 0.0040 454 TRP 30 H 0.0014 0.0019 0.0021 455 TRP 30 HA 0.0011 0.0021 0.0029 456 TRP 30 HB2 0.0016 0.0022 0.0023 457 TRP 30 HB3 0.0017 0.0024 0.0027 458 TRP 30 HD1 0.0015 0.0021 0.0024 459 TRP 30 HE1 0.0016 0.0024 0.0029 460 TRP 30 HE3 0.0016 0.0026 0.0036 461 TRP 30 HZ2 0.0016 0.0027 0.0037 462 TRP 30 HZ3 0.0017 0.0029 0.0042 463 TRP 30 HH2 0.0017 0.0030 0.0043 464 PHE 31 N 0.0043 0.0002 0.0010 465 PHE 31 CA 0.0044 -0.0011 0.0007 466 PHE 31 C 0.0045 -0.0019 0.0018 467 PHE 31 O 0.0046 -0.0025 0.0021 468 PHE 31 CB 0.0045 -0.0015 -0.0003 469 PHE 31 CG 0.0047 -0.0029 -0.0004 470 PHE 31 CD1 0.0048 -0.0034 -0.0012 471 PHE 31 CD2 0.0048 -0.0036 0.0003 472 PHE 31 CE1 0.0049 -0.0047 -0.0012 473 PHE 31 CE2 0.0049 -0.0048 0.0003 474 PHE 31 CZ 0.0050 -0.0054 -0.0005 475 PHE 31 H 0.0042 0.0006 0.0005 476 PHE 31 HA 0.0044 -0.0011 0.0003 477 PHE 31 HB2 0.0045 -0.0012 -0.0001 478 PHE 31 HB3 0.0045 -0.0011 -0.0012 479 PHE 31 HD1 0.0047 -0.0029 -0.0018 480 PHE 31 HD2 0.0047 -0.0032 0.0009 481 PHE 31 HE1 0.0050 -0.0051 -0.0018 482 PHE 31 HE2 0.0050 -0.0054 0.0009 483 PHE 31 HZ 0.0051 -0.0063 -0.0005 484 LYS 32 N 0.0055 -0.0012 0.0006 485 LYS 32 CA 0.0054 -0.0012 0.0006 486 LYS 32 C 0.0064 -0.0019 0.0021 487 LYS 32 O 0.0056 -0.0026 0.0030 488 LYS 32 CB 0.0062 -0.0002 -0.0008 489 LYS 32 CG 0.0062 -0.0002 -0.0008 490 LYS 32 CD 0.0067 0.0009 -0.0023 491 LYS 32 CE 0.0063 0.0008 -0.0024 492 LYS 32 NZ 0.0053 0.0014 -0.0040 493 LYS 32 H 0.0059 -0.0006 -0.0003 494 LYS 32 HA 0.0041 -0.0016 0.0005 495 LYS 32 HB2 0.0076 0.0003 -0.0008 496 LYS 32 HB3 0.0054 0.0002 -0.0019 497 LYS 32 HG2 0.0048 -0.0006 -0.0008 498 LYS 32 HG3 0.0070 -0.0005 0.0002 499 LYS 32 HD2 0.0081 0.0013 -0.0023 500 LYS 32 HD3 0.0060 0.0013 -0.0034 501 LYS 32 HE2 0.0055 0.0000 -0.0015 502 LYS 32 HE3 0.0075 0.0011 -0.0022 503 LYS 32 HZ1 0.0041 0.0011 -0.0041 504 LYS 32 HZ2 0.0059 0.0022 -0.0049 505 LYS 32 HZ3 0.0049 0.0013 -0.0040 506 ARG 33 N 0.0059 0.0002 0.0029 507 ARG 33 CA 0.0064 -0.0000 0.0035 508 ARG 33 C 0.0064 -0.0010 0.0032 509 ARG 33 O 0.0069 -0.0016 0.0038 510 ARG 33 CB 0.0064 0.0010 0.0036 511 ARG 33 CG 0.0064 0.0011 0.0037 512 ARG 33 CD 0.0066 0.0022 0.0041 513 ARG 33 NE 0.0060 0.0028 0.0035 514 ARG 33 CZ 0.0057 0.0037 0.0032 515 ARG 33 NH1 0.0059 0.0042 0.0036 516 ARG 33 NH2 0.0051 0.0041 0.0025 517 ARG 33 H 0.0056 0.0009 0.0026 518 ARG 33 HA 0.0069 -0.0002 0.0041 519 ARG 33 HB2 0.0059 0.0015 0.0032 520 ARG 33 HB3 0.0068 0.0014 0.0042 521 ARG 33 HG2 0.0068 0.0005 0.0041 522 ARG 33 HG3 0.0059 0.0010 0.0030 523 ARG 33 HD2 0.0067 0.0027 0.0043 524 ARG 33 HD3 0.0070 0.0021 0.0047 525 ARG 33 HE 0.0059 0.0026 0.0033 526 ARG 33 HH11 0.0063 0.0039 0.0041 527 ARG 33 HH12 0.0056 0.0048 0.0033 528 ARG 33 HH21 0.0048 0.0047 0.0023 529 ARG 33 HH22 0.0049 0.0038 0.0022 530 ASN 34 N 0.0043 -0.0005 0.0058 531 ASN 34 CA 0.0043 -0.0010 0.0054 532 ASN 34 C 0.0046 -0.0019 0.0054 533 ASN 34 O 0.0047 -0.0023 0.0053 534 ASN 34 CB 0.0039 -0.0007 0.0046 535 ASN 34 CG 0.0037 0.0000 0.0047 536 ASN 34 OD1 0.0038 -0.0000 0.0049 537 ASN 34 ND2 0.0035 0.0007 0.0045 538 ASN 34 H 0.0041 -0.0002 0.0054 539 ASN 34 HA 0.0044 -0.0009 0.0057 540 ASN 34 HB2 0.0040 -0.0012 0.0042 541 ASN 34 HB3 0.0038 -0.0006 0.0043 542 ASN 34 HD21 0.0034 0.0007 0.0044 543 ASN 34 HD22 0.0033 0.0011 0.0045 544 THR 35 N 0.0057 -0.0031 0.0038 545 THR 35 CA 0.0050 -0.0037 0.0038 546 THR 35 C 0.0045 -0.0041 0.0040 547 THR 35 O 0.0040 -0.0045 0.0045 548 THR 35 CB 0.0049 -0.0040 0.0029 549 THR 35 OG1 0.0051 -0.0039 0.0022 550 THR 35 CG2 0.0052 -0.0037 0.0026 551 THR 35 H 0.0059 -0.0030 0.0033 552 THR 35 HA 0.0049 -0.0037 0.0043 553 THR 35 HB 0.0043 -0.0045 0.0028 554 THR 35 HG21 0.0051 -0.0038 0.0031 555 THR 35 HG22 0.0058 -0.0032 0.0026 556 THR 35 HG23 0.0051 -0.0039 0.0020 557 THR 35 HG1 0.0056 -0.0035 0.0021 558 LEU 36 N 0.0049 -0.0035 0.0032 559 LEU 36 CA 0.0044 -0.0040 0.0037 560 LEU 36 C 0.0037 -0.0048 0.0054 561 LEU 36 O 0.0042 -0.0044 0.0066 562 LEU 36 CB 0.0054 -0.0031 0.0038 563 LEU 36 CG 0.0050 -0.0035 0.0035 564 LEU 36 CD1 0.0046 -0.0038 0.0017 565 LEU 36 CD2 0.0060 -0.0025 0.0040 566 LEU 36 H 0.0057 -0.0027 0.0026 567 LEU 36 HA 0.0038 -0.0046 0.0027 568 LEU 36 HB2 0.0059 -0.0027 0.0051 569 LEU 36 HB3 0.0061 -0.0024 0.0029 570 LEU 36 HG 0.0042 -0.0042 0.0043 571 LEU 36 HD11 0.0038 -0.0045 0.0014 572 LEU 36 HD12 0.0053 -0.0030 0.0008 573 LEU 36 HD13 0.0044 -0.0039 0.0015 574 LEU 36 HD21 0.0068 -0.0017 0.0032 575 LEU 36 HD22 0.0063 -0.0023 0.0053 576 LEU 36 HD23 0.0057 -0.0027 0.0038 577 ASP 37 N 0.0027 -0.0054 0.0044 578 ASP 37 CA 0.0019 -0.0060 0.0058 579 ASP 37 C 0.0019 -0.0059 0.0058 580 ASP 37 O 0.0015 -0.0058 0.0072 581 ASP 37 CB 0.0017 -0.0053 0.0074 582 ASP 37 CG 0.0014 -0.0059 0.0073 583 ASP 37 OD1 0.0011 -0.0071 0.0063 584 ASP 37 OD2 0.0015 -0.0051 0.0083 585 ASP 37 H 0.0026 -0.0061 0.0035 586 ASP 37 HA 0.0012 -0.0073 0.0057 587 ASP 37 HB2 0.0011 -0.0057 0.0084 588 ASP 37 HB3 0.0023 -0.0041 0.0075 589 LYS 38 N 0.0030 -0.0052 0.0054 590 LYS 38 CA 0.0028 -0.0054 0.0057 591 LYS 38 C 0.0023 -0.0059 0.0047 592 LYS 38 O 0.0024 -0.0058 0.0038 593 LYS 38 CB 0.0035 -0.0048 0.0058 594 LYS 38 CG 0.0042 -0.0042 0.0065 595 LYS 38 CD 0.0051 -0.0035 0.0062 596 LYS 38 CE 0.0058 -0.0029 0.0069 597 LYS 38 NZ 0.0063 -0.0025 0.0074 598 LYS 38 H 0.0032 -0.0052 0.0046 599 LYS 38 HA 0.0025 -0.0057 0.0065 600 LYS 38 HB2 0.0032 -0.0051 0.0061 601 LYS 38 HB3 0.0038 -0.0046 0.0050 602 LYS 38 HG2 0.0043 -0.0041 0.0065 603 LYS 38 HG3 0.0041 -0.0043 0.0074 604 LYS 38 HD2 0.0050 -0.0036 0.0064 605 LYS 38 HD3 0.0052 -0.0034 0.0053 606 LYS 38 HE2 0.0062 -0.0026 0.0064 607 LYS 38 HE3 0.0055 -0.0031 0.0076 608 LYS 38 HZ1 0.0065 -0.0023 0.0068 609 LYS 38 HZ2 0.0059 -0.0028 0.0079 610 LYS 38 HZ3 0.0067 -0.0021 0.0079 611 PRO 39 N 0.0028 -0.0051 0.0028 612 PRO 39 CA 0.0020 -0.0051 0.0026 613 PRO 39 C 0.0026 -0.0051 0.0025 614 PRO 39 O 0.0031 -0.0052 0.0032 615 PRO 39 CB 0.0012 -0.0052 0.0035 616 PRO 39 CG 0.0016 -0.0053 0.0043 617 PRO 39 CD 0.0027 -0.0052 0.0040 618 PRO 39 HA 0.0016 -0.0050 0.0018 619 PRO 39 HB2 0.0004 -0.0052 0.0032 620 PRO 39 HB3 0.0012 -0.0052 0.0039 621 PRO 39 HG2 0.0010 -0.0053 0.0043 622 PRO 39 HG3 0.0016 -0.0054 0.0051 623 PRO 39 HD2 0.0033 -0.0053 0.0045 624 PRO 39 HD3 0.0027 -0.0052 0.0040 625 VAL 40 N 0.0016 -0.0056 0.0020 626 VAL 40 CA 0.0028 -0.0056 0.0019 627 VAL 40 C 0.0024 -0.0057 0.0018 628 VAL 40 O 0.0017 -0.0061 0.0009 629 VAL 40 CB 0.0037 -0.0062 0.0008 630 VAL 40 CG1 0.0040 -0.0061 0.0008 631 VAL 40 CG2 0.0031 -0.0068 -0.0005 632 VAL 40 H 0.0009 -0.0060 0.0013 633 VAL 40 HA 0.0033 -0.0052 0.0027 634 VAL 40 HB 0.0046 -0.0061 0.0008 635 VAL 40 HG11 0.0045 -0.0057 0.0017 636 VAL 40 HG12 0.0031 -0.0062 0.0008 637 VAL 40 HG13 0.0047 -0.0065 0.0001 638 VAL 40 HG21 0.0021 -0.0069 -0.0005 639 VAL 40 HG22 0.0030 -0.0069 -0.0007 640 VAL 40 HG23 0.0037 -0.0071 -0.0012 641 ILE 41 N 0.0034 -0.0056 0.0029 642 ILE 41 CA 0.0032 -0.0052 0.0035 643 ILE 41 C 0.0037 -0.0056 0.0036 644 ILE 41 O 0.0044 -0.0061 0.0040 645 ILE 41 CB 0.0031 -0.0048 0.0045 646 ILE 41 CG1 0.0026 -0.0044 0.0043 647 ILE 41 CG2 0.0028 -0.0044 0.0051 648 ILE 41 CD1 0.0025 -0.0041 0.0052 649 ILE 41 H 0.0038 -0.0058 0.0032 650 ILE 41 HA 0.0027 -0.0048 0.0031 651 ILE 41 HB 0.0036 -0.0052 0.0049 652 ILE 41 HG12 0.0029 -0.0048 0.0039 653 ILE 41 HG13 0.0021 -0.0041 0.0040 654 ILE 41 HG21 0.0031 -0.0047 0.0052 655 ILE 41 HG22 0.0023 -0.0040 0.0047 656 ILE 41 HG23 0.0027 -0.0042 0.0058 657 ILE 41 HD11 0.0030 -0.0045 0.0056 658 ILE 41 HD12 0.0022 -0.0037 0.0057 659 ILE 41 HD13 0.0021 -0.0038 0.0050 660 MET 42 N 0.0039 -0.0054 0.0044 661 MET 42 CA 0.0054 -0.0063 0.0048 662 MET 42 C 0.0049 -0.0052 0.0061 663 MET 42 O 0.0033 -0.0037 0.0062 664 MET 42 CB 0.0057 -0.0078 0.0028 665 MET 42 CG 0.0042 -0.0078 0.0007 666 MET 42 SD 0.0047 -0.0095 -0.0015 667 MET 42 CE 0.0029 -0.0092 -0.0037 668 MET 42 H 0.0026 -0.0046 0.0037 669 MET 42 HA 0.0067 -0.0068 0.0059 670 MET 42 HB2 0.0071 -0.0090 0.0028 671 MET 42 HB3 0.0059 -0.0079 0.0029 672 MET 42 HG2 0.0029 -0.0066 0.0007 673 MET 42 HG3 0.0042 -0.0079 0.0005 674 MET 42 HE1 0.0030 -0.0093 -0.0036 675 MET 42 HE2 0.0015 -0.0080 -0.0037 676 MET 42 HE3 0.0030 -0.0102 -0.0052 677 GLY 43 N 0.0063 -0.0062 0.0080 678 GLY 43 CA 0.0064 -0.0054 0.0091 679 GLY 43 C 0.0064 -0.0061 0.0083 680 GLY 43 O 0.0064 -0.0074 0.0070 681 GLY 43 H 0.0071 -0.0073 0.0081 682 GLY 43 HA2 0.0074 -0.0056 0.0104 683 GLY 43 HA3 0.0057 -0.0040 0.0093 684 ARG 44 N 0.0047 -0.0056 0.0125 685 ARG 44 CA 0.0040 -0.0054 0.0107 686 ARG 44 C 0.0061 -0.0086 0.0101 687 ARG 44 O 0.0059 -0.0095 0.0070 688 ARG 44 CB 0.0029 -0.0029 0.0132 689 ARG 44 CG 0.0020 -0.0022 0.0116 690 ARG 44 CD -0.0003 -0.0003 0.0083 691 ARG 44 NE -0.0014 0.0008 0.0069 692 ARG 44 CZ -0.0029 0.0034 0.0084 693 ARG 44 NH1 -0.0040 0.0044 0.0065 694 ARG 44 NH2 -0.0033 0.0052 0.0115 695 ARG 44 H 0.0041 -0.0040 0.0148 696 ARG 44 HA 0.0027 -0.0046 0.0080 697 ARG 44 HB2 0.0015 -0.0007 0.0138 698 ARG 44 HB3 0.0043 -0.0037 0.0159 699 ARG 44 HG2 0.0016 -0.0008 0.0138 700 ARG 44 HG3 0.0033 -0.0044 0.0105 701 ARG 44 HD2 0.0001 -0.0017 0.0060 702 ARG 44 HD3 -0.0015 0.0018 0.0093 703 ARG 44 HE -0.0011 -0.0005 0.0046 704 ARG 44 HH11 -0.0053 0.0064 0.0075 705 ARG 44 HH12 -0.0038 0.0030 0.0041 706 ARG 44 HH21 -0.0045 0.0073 0.0125 707 ARG 44 HH22 -0.0023 0.0045 0.0132 708 HIS 45 N 0.0095 -0.0078 0.0108 709 HIS 45 CA 0.0103 -0.0101 0.0112 710 HIS 45 C 0.0103 -0.0121 0.0092 711 HIS 45 O 0.0103 -0.0135 0.0082 712 HIS 45 CB 0.0115 -0.0108 0.0138 713 HIS 45 CG 0.0115 -0.0087 0.0157 714 HIS 45 CD2 0.0118 -0.0078 0.0173 715 HIS 45 ND1 0.0113 -0.0073 0.0163 716 HIS 45 NE2 0.0117 -0.0059 0.0188 717 HIS 45 CE1 0.0114 -0.0056 0.0182 718 HIS 45 H 0.0096 -0.0070 0.0120 719 HIS 45 HA 0.0102 -0.0100 0.0110 720 HIS 45 HB2 0.0121 -0.0122 0.0142 721 HIS 45 HB3 0.0117 -0.0116 0.0138 722 HIS 45 HD1 0.0110 -0.0074 0.0155 723 HIS 45 HD2 0.0122 -0.0087 0.0176 724 HIS 45 HE1 0.0112 -0.0041 0.0190 725 THR 46 N 0.0106 -0.0109 0.0082 726 THR 46 CA 0.0104 -0.0122 0.0067 727 THR 46 C 0.0089 -0.0123 0.0046 728 THR 46 O 0.0091 -0.0139 0.0033 729 THR 46 CB 0.0102 -0.0115 0.0071 730 THR 46 OG1 0.0117 -0.0115 0.0090 731 THR 46 CG2 0.0102 -0.0129 0.0057 732 THR 46 H 0.0105 -0.0097 0.0093 733 THR 46 HA 0.0115 -0.0137 0.0067 734 THR 46 HB 0.0091 -0.0099 0.0071 735 THR 46 HG21 0.0091 -0.0128 0.0042 736 THR 46 HG22 0.0113 -0.0144 0.0057 737 THR 46 HG23 0.0101 -0.0123 0.0062 738 THR 46 HG1 0.0115 -0.0102 0.0100 739 TRP 47 N 0.0092 -0.0118 0.0033 740 TRP 47 CA 0.0068 -0.0114 -0.0003 741 TRP 47 C 0.0075 -0.0131 -0.0023 742 TRP 47 O 0.0075 -0.0148 -0.0055 743 TRP 47 CB 0.0037 -0.0082 0.0001 744 TRP 47 CG 0.0014 -0.0076 -0.0030 745 TRP 47 CD1 0.0009 -0.0071 -0.0029 746 TRP 47 CD2 -0.0001 -0.0082 -0.0067 747 TRP 47 NE1 -0.0009 -0.0072 -0.0063 748 TRP 47 CE2 -0.0017 -0.0077 -0.0087 749 TRP 47 CE3 -0.0005 -0.0088 -0.0086 750 TRP 47 CZ2 -0.0033 -0.0080 -0.0125 751 TRP 47 CZ3 -0.0023 -0.0090 -0.0124 752 TRP 47 CH2 -0.0037 -0.0086 -0.0142 753 TRP 47 H 0.0085 -0.0100 0.0056 754 TRP 47 HA 0.0068 -0.0124 -0.0022 755 TRP 47 HB2 0.0038 -0.0070 0.0028 756 TRP 47 HB3 0.0028 -0.0072 0.0002 757 TRP 47 HD1 0.0020 -0.0069 -0.0005 758 TRP 47 HE1 -0.0015 -0.0069 -0.0070 759 TRP 47 HE3 0.0006 -0.0090 -0.0071 760 TRP 47 HZ2 -0.0044 -0.0079 -0.0140 761 TRP 47 HZ3 -0.0025 -0.0095 -0.0138 762 TRP 47 HH2 -0.0051 -0.0088 -0.0171 763 GLU 48 N 0.0065 -0.0113 0.0028 764 GLU 48 CA 0.0069 -0.0123 0.0019 765 GLU 48 C 0.0087 -0.0150 0.0008 766 GLU 48 O 0.0087 -0.0160 -0.0012 767 GLU 48 CB 0.0075 -0.0116 0.0043 768 GLU 48 CG 0.0056 -0.0091 0.0048 769 GLU 48 CD 0.0041 -0.0088 0.0023 770 GLU 48 OE1 0.0047 -0.0099 0.0014 771 GLU 48 OE2 0.0022 -0.0072 0.0010 772 GLU 48 H 0.0065 -0.0102 0.0047 773 GLU 48 HA 0.0055 -0.0115 0.0002 774 GLU 48 HB2 0.0083 -0.0129 0.0038 775 GLU 48 HB3 0.0085 -0.0118 0.0062 776 GLU 48 HG2 0.0062 -0.0089 0.0066 777 GLU 48 HG3 0.0048 -0.0078 0.0054 778 SER 49 N 0.0107 -0.0137 0.0052 779 SER 49 CA 0.0115 -0.0157 0.0048 780 SER 49 C 0.0109 -0.0164 0.0028 781 SER 49 O 0.0112 -0.0179 0.0020 782 SER 49 CB 0.0124 -0.0163 0.0062 783 SER 49 OG 0.0121 -0.0159 0.0059 784 SER 49 H 0.0107 -0.0129 0.0060 785 SER 49 HA 0.0119 -0.0163 0.0050 786 SER 49 HB2 0.0128 -0.0156 0.0076 787 SER 49 HB3 0.0131 -0.0178 0.0061 788 SER 49 HG 0.0114 -0.0147 0.0055 789 ILE 50 N 0.0131 -0.0181 -0.0059 790 ILE 50 CA 0.0118 -0.0189 -0.0090 791 ILE 50 C 0.0097 -0.0190 -0.0123 792 ILE 50 O 0.0099 -0.0210 -0.0152 793 ILE 50 CB 0.0101 -0.0167 -0.0080 794 ILE 50 CG1 0.0124 -0.0170 -0.0050 795 ILE 50 CG2 0.0084 -0.0172 -0.0112 796 ILE 50 CD1 0.0109 -0.0143 -0.0029 797 ILE 50 H 0.0120 -0.0160 -0.0040 798 ILE 50 HA 0.0138 -0.0210 -0.0096 799 ILE 50 HB 0.0083 -0.0145 -0.0069 800 ILE 50 HG12 0.0142 -0.0173 -0.0030 801 ILE 50 HG13 0.0137 -0.0189 -0.0062 802 ILE 50 HG21 0.0067 -0.0170 -0.0133 803 ILE 50 HG22 0.0102 -0.0194 -0.0123 804 ILE 50 HG23 0.0072 -0.0157 -0.0105 805 ILE 50 HD11 0.0098 -0.0125 -0.0015 806 ILE 50 HD12 0.0091 -0.0139 -0.0047 807 ILE 50 HD13 0.0126 -0.0147 -0.0009 808 GLY 51 N 0.0075 -0.0189 -0.0124 809 GLY 51 CA 0.0050 -0.0189 -0.0161 810 GLY 51 C 0.0011 -0.0177 -0.0203 811 GLY 51 O -0.0007 -0.0182 -0.0238 812 GLY 51 H 0.0074 -0.0168 -0.0089 813 GLY 51 HA2 0.0071 -0.0218 -0.0177 814 GLY 51 HA3 0.0039 -0.0166 -0.0141 815 ARG 52 N 0.0027 -0.0178 -0.0226 816 ARG 52 CA -0.0017 -0.0175 -0.0253 817 ARG 52 C -0.0020 -0.0157 -0.0218 818 ARG 52 O 0.0018 -0.0157 -0.0188 819 ARG 52 CB -0.0008 -0.0204 -0.0306 820 ARG 52 CG 0.0047 -0.0224 -0.0308 821 ARG 52 CD 0.0050 -0.0250 -0.0359 822 ARG 52 NE 0.0031 -0.0242 -0.0358 823 ARG 52 CZ 0.0060 -0.0245 -0.0341 824 ARG 52 NH1 0.0109 -0.0253 -0.0322 825 ARG 52 NH2 0.0041 -0.0239 -0.0344 826 ARG 52 H 0.0048 -0.0170 -0.0193 827 ARG 52 HA -0.0054 -0.0165 -0.0259 828 ARG 52 HB2 -0.0039 -0.0199 -0.0321 829 ARG 52 HB3 -0.0012 -0.0214 -0.0330 830 ARG 52 HG2 0.0076 -0.0233 -0.0304 831 ARG 52 HG3 0.0058 -0.0214 -0.0278 832 ARG 52 HD2 0.0028 -0.0256 -0.0390 833 ARG 52 HD3 0.0091 -0.0267 -0.0365 834 ARG 52 HE -0.0007 -0.0235 -0.0372 835 ARG 52 HH11 0.0132 -0.0261 -0.0320 836 ARG 52 HH12 0.0126 -0.0257 -0.0316 837 ARG 52 HH21 0.0067 -0.0242 -0.0331 838 ARG 52 HH22 0.0003 -0.0231 -0.0356 839 PRO 53 N -0.0031 -0.0162 -0.0231 840 PRO 53 CA -0.0037 -0.0147 -0.0203 841 PRO 53 C -0.0009 -0.0162 -0.0212 842 PRO 53 O -0.0004 -0.0179 -0.0246 843 PRO 53 CB -0.0082 -0.0135 -0.0214 844 PRO 53 CG -0.0096 -0.0149 -0.0254 845 PRO 53 CD -0.0069 -0.0160 -0.0256 846 PRO 53 HA -0.0032 -0.0135 -0.0172 847 PRO 53 HB2 -0.0100 -0.0118 -0.0192 848 PRO 53 HB3 -0.0086 -0.0135 -0.0216 849 PRO 53 HG2 -0.0128 -0.0138 -0.0257 850 PRO 53 HG3 -0.0092 -0.0161 -0.0278 851 PRO 53 HD2 -0.0064 -0.0176 -0.0286 852 PRO 53 HD3 -0.0083 -0.0149 -0.0244 853 LEU 54 N -0.0004 -0.0123 -0.0118 854 LEU 54 CA 0.0014 -0.0124 -0.0115 855 LEU 54 C -0.0006 -0.0122 -0.0115 856 LEU 54 O -0.0023 -0.0111 -0.0097 857 LEU 54 CB 0.0032 -0.0115 -0.0088 858 LEU 54 CG 0.0053 -0.0118 -0.0087 859 LEU 54 CD1 0.0068 -0.0107 -0.0060 860 LEU 54 CD2 0.0076 -0.0130 -0.0107 861 LEU 54 H -0.0007 -0.0115 -0.0101 862 LEU 54 HA 0.0028 -0.0134 -0.0131 863 LEU 54 HB2 0.0044 -0.0115 -0.0085 864 LEU 54 HB3 0.0018 -0.0106 -0.0072 865 LEU 54 HG 0.0042 -0.0118 -0.0092 866 LEU 54 HD11 0.0052 -0.0099 -0.0046 867 LEU 54 HD12 0.0078 -0.0106 -0.0054 868 LEU 54 HD13 0.0084 -0.0109 -0.0059 869 LEU 54 HD21 0.0088 -0.0130 -0.0103 870 LEU 54 HD22 0.0067 -0.0138 -0.0127 871 LEU 54 HD23 0.0092 -0.0131 -0.0105 872 PRO 55 N -0.0011 -0.0131 -0.0114 873 PRO 55 CA -0.0036 -0.0134 -0.0093 874 PRO 55 C -0.0035 -0.0111 -0.0054 875 PRO 55 O -0.0007 -0.0091 -0.0045 876 PRO 55 CB -0.0028 -0.0139 -0.0111 877 PRO 55 CG -0.0010 -0.0151 -0.0150 878 PRO 55 CD 0.0011 -0.0137 -0.0145 879 PRO 55 HA -0.0063 -0.0150 -0.0095 880 PRO 55 HB2 -0.0052 -0.0151 -0.0110 881 PRO 55 HB3 -0.0008 -0.0122 -0.0099 882 PRO 55 HG2 -0.0030 -0.0170 -0.0164 883 PRO 55 HG3 0.0008 -0.0149 -0.0163 884 PRO 55 HD2 0.0037 -0.0120 -0.0140 885 PRO 55 HD3 0.0015 -0.0149 -0.0169 886 GLY 56 N -0.0027 -0.0109 -0.0038 887 GLY 56 CA -0.0028 -0.0095 -0.0009 888 GLY 56 C -0.0025 -0.0088 -0.0001 889 GLY 56 O -0.0021 -0.0072 0.0022 890 GLY 56 H -0.0042 -0.0124 -0.0040 891 GLY 56 HA2 -0.0015 -0.0080 -0.0005 892 GLY 56 HA3 -0.0044 -0.0104 0.0005 893 ARG 57 N -0.0014 -0.0077 -0.0010 894 ARG 57 CA -0.0015 -0.0074 0.0001 895 ARG 57 C -0.0029 -0.0080 -0.0003 896 ARG 57 O -0.0032 -0.0085 -0.0017 897 ARG 57 CB -0.0000 -0.0069 -0.0001 898 ARG 57 CG 0.0015 -0.0063 0.0003 899 ARG 57 CD 0.0029 -0.0060 -0.0007 900 ARG 57 NE 0.0030 -0.0064 -0.0022 901 ARG 57 CZ 0.0043 -0.0062 -0.0032 902 ARG 57 NH1 0.0056 -0.0057 -0.0030 903 ARG 57 NH2 0.0042 -0.0066 -0.0044 904 ARG 57 H -0.0017 -0.0081 -0.0021 905 ARG 57 HA -0.0017 -0.0071 0.0014 906 ARG 57 HB2 -0.0002 -0.0067 0.0008 907 ARG 57 HB3 0.0001 -0.0072 -0.0013 908 ARG 57 HG2 0.0014 -0.0064 0.0001 909 ARG 57 HG3 0.0017 -0.0059 0.0015 910 ARG 57 HD2 0.0039 -0.0055 -0.0001 911 ARG 57 HD3 0.0028 -0.0061 -0.0010 912 ARG 57 HE 0.0021 -0.0068 -0.0025 913 ARG 57 HH11 0.0065 -0.0056 -0.0039 914 ARG 57 HH12 0.0058 -0.0053 -0.0020 915 ARG 57 HH21 0.0032 -0.0070 -0.0045 916 ARG 57 HH22 0.0052 -0.0064 -0.0051 917 LYS 58 N -0.0018 -0.0060 -0.0035 918 LYS 58 CA -0.0029 -0.0050 -0.0029 919 LYS 58 C -0.0023 -0.0052 -0.0017 920 LYS 58 O -0.0019 -0.0053 -0.0005 921 LYS 58 CB -0.0035 -0.0042 -0.0021 922 LYS 58 CG -0.0047 -0.0031 -0.0016 923 LYS 58 CD -0.0055 -0.0023 -0.0012 924 LYS 58 CE -0.0065 -0.0012 -0.0006 925 LYS 58 NZ -0.0066 -0.0010 -0.0002 926 LYS 58 H -0.0015 -0.0062 -0.0030 927 LYS 58 HA -0.0035 -0.0047 -0.0038 928 LYS 58 HB2 -0.0029 -0.0045 -0.0011 929 LYS 58 HB3 -0.0038 -0.0042 -0.0028 930 LYS 58 HG2 -0.0051 -0.0029 -0.0026 931 LYS 58 HG3 -0.0044 -0.0031 -0.0006 932 LYS 58 HD2 -0.0049 -0.0025 -0.0004 933 LYS 58 HD3 -0.0058 -0.0023 -0.0022 934 LYS 58 HE2 -0.0066 -0.0009 0.0005 935 LYS 58 HE3 -0.0073 -0.0007 -0.0014 936 LYS 58 HZ1 -0.0059 -0.0015 0.0005 937 LYS 58 HZ2 -0.0066 -0.0013 -0.0012 938 LYS 58 HZ3 -0.0074 -0.0003 0.0002 939 ASN 59 N -0.0045 -0.0053 -0.0049 940 ASN 59 CA -0.0031 -0.0056 -0.0044 941 ASN 59 C -0.0043 -0.0044 -0.0032 942 ASN 59 O -0.0058 -0.0043 -0.0042 943 ASN 59 CB -0.0022 -0.0071 -0.0061 944 ASN 59 CG -0.0013 -0.0085 -0.0079 945 ASN 59 OD1 -0.0001 -0.0096 -0.0088 946 ASN 59 ND2 -0.0018 -0.0087 -0.0086 947 ASN 59 H -0.0055 -0.0057 -0.0064 948 ASN 59 HA -0.0016 -0.0056 -0.0033 949 ASN 59 HB2 -0.0008 -0.0072 -0.0053 950 ASN 59 HB3 -0.0036 -0.0069 -0.0070 951 ASN 59 HD21 -0.0013 -0.0098 -0.0099 952 ASN 59 HD22 -0.0028 -0.0079 -0.0079 953 ILE 60 N -0.0020 -0.0034 -0.0015 954 ILE 60 CA -0.0030 -0.0025 -0.0002 955 ILE 60 C -0.0023 -0.0028 0.0008 956 ILE 60 O -0.0010 -0.0037 0.0014 957 ILE 60 CB -0.0030 -0.0023 0.0013 958 ILE 60 CG1 -0.0032 -0.0023 0.0002 959 ILE 60 CG2 -0.0041 -0.0013 0.0026 960 ILE 60 CD1 -0.0039 -0.0016 0.0013 961 ILE 60 H -0.0010 -0.0041 -0.0011 962 ILE 60 HA -0.0040 -0.0018 -0.0008 963 ILE 60 HB -0.0020 -0.0029 0.0021 964 ILE 60 HG12 -0.0022 -0.0031 -0.0002 965 ILE 60 HG13 -0.0040 -0.0019 -0.0010 966 ILE 60 HG21 -0.0039 -0.0014 0.0034 967 ILE 60 HG22 -0.0052 -0.0006 0.0019 968 ILE 60 HG23 -0.0041 -0.0011 0.0036 969 ILE 60 HD11 -0.0032 -0.0019 0.0026 970 ILE 60 HD12 -0.0050 -0.0007 0.0017 971 ILE 60 HD13 -0.0041 -0.0016 0.0006 972 ILE 61 N -0.0035 -0.0007 0.0010 973 ILE 61 CA -0.0024 -0.0012 0.0028 974 ILE 61 C -0.0030 0.0006 0.0055 975 ILE 61 O -0.0048 0.0025 0.0054 976 ILE 61 CB -0.0027 -0.0015 0.0014 977 ILE 61 CG1 -0.0030 -0.0025 -0.0018 978 ILE 61 CG2 -0.0009 -0.0030 0.0027 979 ILE 61 CD1 -0.0017 -0.0043 -0.0026 980 ILE 61 H -0.0050 0.0005 0.0000 981 ILE 61 HA -0.0008 -0.0027 0.0034 982 ILE 61 HB -0.0040 0.0001 0.0017 983 ILE 61 HG12 -0.0026 -0.0033 -0.0024 984 ILE 61 HG13 -0.0046 -0.0012 -0.0028 985 ILE 61 HG21 -0.0008 -0.0022 0.0049 986 ILE 61 HG22 0.0005 -0.0045 0.0026 987 ILE 61 HG23 -0.0010 -0.0032 0.0017 988 ILE 61 HD11 -0.0002 -0.0056 -0.0016 989 ILE 61 HD12 -0.0022 -0.0035 -0.0021 990 ILE 61 HD13 -0.0020 -0.0049 -0.0049 991 LEU 62 N -0.0003 -0.0010 0.0064 992 LEU 62 CA -0.0007 0.0000 0.0084 993 LEU 62 C -0.0011 0.0008 0.0092 994 LEU 62 O -0.0006 -0.0003 0.0095 995 LEU 62 CB -0.0002 -0.0014 0.0099 996 LEU 62 CG -0.0003 -0.0013 0.0101 997 LEU 62 CD1 -0.0010 0.0007 0.0110 998 LEU 62 CD2 -0.0001 -0.0016 0.0080 999 LEU 62 H 0.0002 -0.0024 0.0064 1000 LEU 62 HA -0.0012 0.0013 0.0080 1001 LEU 62 HB2 -0.0004 -0.0011 0.0115 1002 LEU 62 HB3 0.0003 -0.0029 0.0096 1003 LEU 62 HG 0.0001 -0.0024 0.0112 1004 LEU 62 HD11 -0.0012 0.0010 0.0125 1005 LEU 62 HD12 -0.0015 0.0019 0.0100 1006 LEU 62 HD13 -0.0010 0.0006 0.0113 1007 LEU 62 HD21 -0.0006 -0.0004 0.0069 1008 LEU 62 HD22 0.0004 -0.0030 0.0074 1009 LEU 62 HD23 -0.0001 -0.0017 0.0082 1010 SER 63 N -0.0051 0.0042 0.0128 1011 SER 63 CA -0.0058 0.0058 0.0151 1012 SER 63 C -0.0073 0.0092 0.0174 1013 SER 63 O -0.0085 0.0114 0.0156 1014 SER 63 CB -0.0063 0.0068 0.0123 1015 SER 63 OG -0.0069 0.0082 0.0145 1016 SER 63 H -0.0059 0.0059 0.0123 1017 SER 63 HA -0.0048 0.0039 0.0173 1018 SER 63 HB2 -0.0074 0.0089 0.0102 1019 SER 63 HB3 -0.0052 0.0044 0.0106 1020 SER 63 HG -0.0059 0.0062 0.0163 1021 SER 64 N -0.0079 0.0099 0.0208 1022 SER 64 CA -0.0100 0.0133 0.0232 1023 SER 64 C -0.0120 0.0162 0.0207 1024 SER 64 O -0.0140 0.0194 0.0208 1025 SER 64 CB -0.0093 0.0129 0.0275 1026 SER 64 OG -0.0086 0.0118 0.0271 1027 SER 64 H -0.0066 0.0080 0.0219 1028 SER 64 HA -0.0105 0.0142 0.0236 1029 SER 64 HB2 -0.0079 0.0110 0.0292 1030 SER 64 HB3 -0.0108 0.0155 0.0292 1031 SER 64 HG -0.0071 0.0093 0.0259 1032 GLN 65 N -0.0120 0.0178 0.0224 1033 GLN 65 CA -0.0132 0.0209 0.0201 1034 GLN 65 C -0.0134 0.0219 0.0144 1035 GLN 65 O -0.0124 0.0198 0.0119 1036 GLN 65 CB -0.0124 0.0188 0.0216 1037 GLN 65 CG -0.0131 0.0200 0.0271 1038 GLN 65 CD -0.0127 0.0190 0.0282 1039 GLN 65 NE2 -0.0109 0.0147 0.0281 1040 GLN 65 OE1 -0.0141 0.0222 0.0289 1041 GLN 65 H -0.0105 0.0144 0.0223 1042 GLN 65 HA -0.0148 0.0243 0.0220 1043 GLN 65 HB2 -0.0128 0.0201 0.0190 1044 GLN 65 HB3 -0.0107 0.0150 0.0212 1045 GLN 65 HG2 -0.0123 0.0179 0.0297 1046 GLN 65 HG3 -0.0147 0.0237 0.0278 1047 GLN 65 HE21 -0.0107 0.0142 0.0292 1048 GLN 65 HE22 -0.0097 0.0120 0.0280 1049 PRO 66 N -0.0159 0.0241 0.0131 1050 PRO 66 CA -0.0171 0.0250 0.0073 1051 PRO 66 C -0.0156 0.0203 0.0037 1052 PRO 66 O -0.0142 0.0173 0.0052 1053 PRO 66 CB -0.0189 0.0293 0.0069 1054 PRO 66 CG -0.0179 0.0282 0.0115 1055 PRO 66 CD -0.0168 0.0271 0.0159 1056 PRO 66 HA -0.0178 0.0263 0.0060 1057 PRO 66 HB2 -0.0203 0.0329 0.0076 1058 PRO 66 HB3 -0.0194 0.0292 0.0030 1059 PRO 66 HG2 -0.0191 0.0315 0.0127 1060 PRO 66 HG3 -0.0166 0.0249 0.0106 1061 PRO 66 HD2 -0.0156 0.0254 0.0191 1062 PRO 66 HD3 -0.0181 0.0307 0.0174 1063 GLY 67 N -0.0179 0.0174 0.0008 1064 GLY 67 CA -0.0167 0.0134 -0.0029 1065 GLY 67 C -0.0173 0.0129 -0.0060 1066 GLY 67 O -0.0196 0.0161 -0.0070 1067 GLY 67 H -0.0196 0.0199 0.0005 1068 GLY 67 HA2 -0.0176 0.0137 -0.0053 1069 GLY 67 HA3 -0.0143 0.0106 -0.0011 1070 THR 68 N -0.0164 0.0089 -0.0074 1071 THR 68 CA -0.0168 0.0074 -0.0111 1072 THR 68 C -0.0165 0.0043 -0.0159 1073 THR 68 O -0.0148 0.0012 -0.0179 1074 THR 68 CB -0.0141 0.0054 -0.0087 1075 THR 68 OG1 -0.0103 0.0020 -0.0067 1076 THR 68 CG2 -0.0150 0.0087 -0.0048 1077 THR 68 H -0.0141 0.0068 -0.0064 1078 THR 68 HA -0.0196 0.0103 -0.0120 1079 THR 68 HB -0.0143 0.0040 -0.0116 1080 THR 68 HG21 -0.0177 0.0111 -0.0065 1081 THR 68 HG22 -0.0148 0.0102 -0.0017 1082 THR 68 HG23 -0.0130 0.0071 -0.0034 1083 THR 68 HG1 -0.0103 0.0033 -0.0042 1084 ASP 69 N -0.0170 0.0041 -0.0159 1085 ASP 69 CA -0.0173 0.0016 -0.0202 1086 ASP 69 C -0.0201 0.0042 -0.0210 1087 ASP 69 O -0.0194 0.0054 -0.0180 1088 ASP 69 CB -0.0137 -0.0021 -0.0197 1089 ASP 69 CG -0.0138 -0.0048 -0.0241 1090 ASP 69 OD1 -0.0158 -0.0038 -0.0260 1091 ASP 69 OD2 -0.0117 -0.0081 -0.0257 1092 ASP 69 H -0.0182 0.0066 -0.0141 1093 ASP 69 HA -0.0180 0.0006 -0.0230 1094 ASP 69 HB2 -0.0129 -0.0013 -0.0173 1095 ASP 69 HB3 -0.0117 -0.0035 -0.0186 1096 ASP 70 N -0.0249 0.0043 -0.0269 1097 ASP 70 CA -0.0283 0.0070 -0.0265 1098 ASP 70 C -0.0250 0.0043 -0.0274 1099 ASP 70 O -0.0267 0.0058 -0.0264 1100 ASP 70 CB -0.0337 0.0095 -0.0317 1101 ASP 70 CG -0.0375 0.0128 -0.0295 1102 ASP 70 OD1 -0.0388 0.0153 -0.0237 1103 ASP 70 OD2 -0.0393 0.0131 -0.0335 1104 ASP 70 H -0.0252 0.0035 -0.0311 1105 ASP 70 HA -0.0295 0.0091 -0.0216 1106 ASP 70 HB2 -0.0361 0.0111 -0.0322 1107 ASP 70 HB3 -0.0325 0.0074 -0.0366 1108 ARG 71 N -0.0236 0.0010 -0.0268 1109 ARG 71 CA -0.0219 -0.0014 -0.0285 1110 ARG 71 C -0.0205 -0.0012 -0.0245 1111 ARG 71 O -0.0207 -0.0013 -0.0253 1112 ARG 71 CB -0.0193 -0.0053 -0.0313 1113 ARG 71 CG -0.0212 -0.0054 -0.0360 1114 ARG 71 CD -0.0187 -0.0087 -0.0381 1115 ARG 71 NE -0.0162 -0.0098 -0.0347 1116 ARG 71 CZ -0.0136 -0.0129 -0.0358 1117 ARG 71 NH1 -0.0131 -0.0152 -0.0402 1118 ARG 71 NH2 -0.0113 -0.0139 -0.0327 1119 ARG 71 H -0.0224 -0.0001 -0.0266 1120 ARG 71 HA -0.0239 -0.0005 -0.0312 1121 ARG 71 HB2 -0.0178 -0.0071 -0.0320 1122 ARG 71 HB3 -0.0173 -0.0063 -0.0291 1123 ARG 71 HG2 -0.0233 -0.0030 -0.0355 1124 ARG 71 HG3 -0.0224 -0.0052 -0.0386 1125 ARG 71 HD2 -0.0204 -0.0082 -0.0409 1126 ARG 71 HD3 -0.0171 -0.0109 -0.0396 1127 ARG 71 HE -0.0164 -0.0081 -0.0313 1128 ARG 71 HH11 -0.0147 -0.0147 -0.0427 1129 ARG 71 HH12 -0.0111 -0.0175 -0.0409 1130 ARG 71 HH21 -0.0094 -0.0162 -0.0338 1131 ARG 71 HH22 -0.0115 -0.0122 -0.0294 1132 VAL 72 N -0.0145 0.0002 -0.0173 1133 VAL 72 CA -0.0133 0.0006 -0.0137 1134 VAL 72 C -0.0154 0.0036 -0.0109 1135 VAL 72 O -0.0170 0.0050 -0.0108 1136 VAL 72 CB -0.0097 -0.0015 -0.0117 1137 VAL 72 CG1 -0.0075 -0.0046 -0.0143 1138 VAL 72 CG2 -0.0095 -0.0012 -0.0103 1139 VAL 72 H -0.0147 0.0004 -0.0171 1140 VAL 72 HA -0.0133 0.0002 -0.0146 1141 VAL 72 HB -0.0090 -0.0011 -0.0091 1142 VAL 72 HG11 -0.0076 -0.0048 -0.0150 1143 VAL 72 HG12 -0.0082 -0.0051 -0.0169 1144 VAL 72 HG13 -0.0050 -0.0060 -0.0127 1145 VAL 72 HG21 -0.0102 -0.0016 -0.0128 1146 VAL 72 HG22 -0.0110 0.0010 -0.0083 1147 VAL 72 HG23 -0.0070 -0.0026 -0.0087 1148 THR 73 N -0.0110 0.0019 -0.0077 1149 THR 73 CA -0.0121 0.0029 -0.0053 1150 THR 73 C -0.0117 0.0028 -0.0029 1151 THR 73 O -0.0097 0.0016 -0.0017 1152 THR 73 CB -0.0114 0.0024 -0.0045 1153 THR 73 OG1 -0.0119 0.0026 -0.0070 1154 THR 73 CG2 -0.0123 0.0033 -0.0019 1155 THR 73 H -0.0096 0.0009 -0.0080 1156 THR 73 HA -0.0139 0.0041 -0.0058 1157 THR 73 HB -0.0096 0.0013 -0.0038 1158 THR 73 HG21 -0.0118 0.0031 -0.0002 1159 THR 73 HG22 -0.0141 0.0046 -0.0022 1160 THR 73 HG23 -0.0116 0.0029 -0.0016 1161 THR 73 HG1 -0.0125 0.0029 -0.0084 1162 TRP 74 N -0.0125 0.0080 -0.0039 1163 TRP 74 CA -0.0120 0.0081 -0.0004 1164 TRP 74 C -0.0125 0.0093 0.0025 1165 TRP 74 O -0.0140 0.0109 0.0019 1166 TRP 74 CB -0.0130 0.0092 -0.0006 1167 TRP 74 CG -0.0121 0.0076 -0.0031 1168 TRP 74 CD1 -0.0128 0.0078 -0.0067 1169 TRP 74 CD2 -0.0103 0.0056 -0.0023 1170 TRP 74 NE1 -0.0116 0.0060 -0.0081 1171 TRP 74 CE2 -0.0100 0.0046 -0.0055 1172 TRP 74 CE3 -0.0089 0.0046 0.0008 1173 TRP 74 CZ2 -0.0085 0.0028 -0.0057 1174 TRP 74 CZ3 -0.0074 0.0027 0.0007 1175 TRP 74 CH2 -0.0071 0.0018 -0.0026 1176 TRP 74 H -0.0141 0.0096 -0.0053 1177 TRP 74 HA -0.0102 0.0060 0.0003 1178 TRP 74 HB2 -0.0125 0.0092 0.0020 1179 TRP 74 HB3 -0.0148 0.0113 -0.0013 1180 TRP 74 HD1 -0.0143 0.0092 -0.0081 1181 TRP 74 HE1 -0.0118 0.0057 -0.0107 1182 TRP 74 HE3 -0.0091 0.0053 0.0033 1183 TRP 74 HZ2 -0.0084 0.0021 -0.0081 1184 TRP 74 HZ3 -0.0063 0.0019 0.0031 1185 TRP 74 HH2 -0.0059 0.0003 -0.0027 1186 VAL 75 N -0.0075 0.0068 0.0036 1187 VAL 75 CA -0.0080 0.0072 0.0056 1188 VAL 75 C -0.0081 0.0068 0.0086 1189 VAL 75 O -0.0072 0.0054 0.0091 1190 VAL 75 CB -0.0070 0.0058 0.0051 1191 VAL 75 CG1 -0.0069 0.0061 0.0022 1192 VAL 75 CG2 -0.0054 0.0032 0.0058 1193 VAL 75 H -0.0069 0.0057 0.0041 1194 VAL 75 HA -0.0092 0.0090 0.0054 1195 VAL 75 HB -0.0076 0.0064 0.0065 1196 VAL 75 HG11 -0.0080 0.0079 0.0015 1197 VAL 75 HG12 -0.0061 0.0051 0.0008 1198 VAL 75 HG13 -0.0065 0.0056 0.0020 1199 VAL 75 HG21 -0.0049 0.0026 0.0048 1200 VAL 75 HG22 -0.0054 0.0029 0.0080 1201 VAL 75 HG23 -0.0047 0.0023 0.0050 1202 LYS 76 N -0.0084 0.0109 0.0104 1203 LYS 76 CA -0.0098 0.0112 0.0158 1204 LYS 76 C -0.0093 0.0081 0.0192 1205 LYS 76 O -0.0101 0.0077 0.0238 1206 LYS 76 CB -0.0122 0.0164 0.0170 1207 LYS 76 CG -0.0128 0.0196 0.0138 1208 LYS 76 CD -0.0153 0.0244 0.0160 1209 LYS 76 CE -0.0158 0.0270 0.0136 1210 LYS 76 NZ -0.0182 0.0315 0.0159 1211 LYS 76 H -0.0090 0.0131 0.0087 1212 LYS 76 HA -0.0095 0.0101 0.0168 1213 LYS 76 HB2 -0.0132 0.0166 0.0210 1214 LYS 76 HB3 -0.0125 0.0175 0.0164 1215 LYS 76 HG2 -0.0121 0.0201 0.0099 1216 LYS 76 HG3 -0.0122 0.0181 0.0138 1217 LYS 76 HD2 -0.0160 0.0239 0.0200 1218 LYS 76 HD3 -0.0159 0.0265 0.0151 1219 LYS 76 HE2 -0.0151 0.0275 0.0096 1220 LYS 76 HE3 -0.0150 0.0246 0.0144 1221 LYS 76 HZ1 -0.0189 0.0336 0.0152 1222 LYS 76 HZ2 -0.0187 0.0308 0.0197 1223 LYS 76 HZ3 -0.0185 0.0331 0.0145 1224 SER 77 N -0.0069 0.0052 0.0108 1225 SER 77 CA -0.0066 0.0034 0.0122 1226 SER 77 C -0.0052 0.0015 0.0110 1227 SER 77 O -0.0044 0.0017 0.0090 1228 SER 77 CB -0.0073 0.0042 0.0129 1229 SER 77 OG -0.0067 0.0046 0.0111 1230 SER 77 H -0.0063 0.0055 0.0092 1231 SER 77 HA -0.0070 0.0029 0.0137 1232 SER 77 HB2 -0.0083 0.0057 0.0136 1233 SER 77 HB3 -0.0073 0.0029 0.0141 1234 SER 77 HG -0.0070 0.0060 0.0103 1235 VAL 78 N -0.0017 -0.0001 0.0080 1236 VAL 78 CA -0.0008 -0.0008 0.0079 1237 VAL 78 C -0.0014 -0.0004 0.0075 1238 VAL 78 O -0.0012 -0.0007 0.0064 1239 VAL 78 CB -0.0000 -0.0012 0.0093 1240 VAL 78 CG1 0.0008 -0.0018 0.0093 1241 VAL 78 CG2 0.0007 -0.0017 0.0095 1242 VAL 78 H -0.0017 0.0000 0.0089 1243 VAL 78 HA -0.0003 -0.0013 0.0070 1244 VAL 78 HB -0.0005 -0.0007 0.0102 1245 VAL 78 HG11 0.0003 -0.0015 0.0092 1246 VAL 78 HG12 0.0013 -0.0023 0.0084 1247 VAL 78 HG13 0.0014 -0.0021 0.0103 1248 VAL 78 HG21 0.0012 -0.0022 0.0086 1249 VAL 78 HG22 0.0002 -0.0013 0.0096 1250 VAL 78 HG23 0.0013 -0.0020 0.0105 1251 ASP 79 N -0.0035 -0.0009 0.0080 1252 ASP 79 CA -0.0034 -0.0007 0.0074 1253 ASP 79 C -0.0033 -0.0001 0.0065 1254 ASP 79 O -0.0029 -0.0002 0.0059 1255 ASP 79 CB -0.0039 -0.0004 0.0081 1256 ASP 79 CG -0.0038 -0.0012 0.0088 1257 ASP 79 OD1 -0.0033 -0.0019 0.0086 1258 ASP 79 OD2 -0.0042 -0.0010 0.0096 1259 ASP 79 H -0.0039 -0.0008 0.0086 1260 ASP 79 HA -0.0030 -0.0013 0.0073 1261 ASP 79 HB2 -0.0038 -0.0001 0.0077 1262 ASP 79 HB3 -0.0043 0.0001 0.0084 1263 GLU 80 N -0.0054 0.0015 0.0076 1264 GLU 80 CA -0.0051 0.0031 0.0058 1265 GLU 80 C -0.0038 0.0016 0.0041 1266 GLU 80 O -0.0029 0.0014 0.0022 1267 GLU 80 CB -0.0060 0.0048 0.0066 1268 GLU 80 CG -0.0070 0.0072 0.0071 1269 GLU 80 CD -0.0073 0.0092 0.0065 1270 GLU 80 OE1 -0.0067 0.0101 0.0045 1271 GLU 80 OE2 -0.0082 0.0097 0.0081 1272 GLU 80 H -0.0062 0.0016 0.0092 1273 GLU 80 HA -0.0051 0.0043 0.0051 1274 GLU 80 HB2 -0.0055 0.0050 0.0053 1275 GLU 80 HB3 -0.0064 0.0040 0.0081 1276 GLU 80 HG2 -0.0078 0.0072 0.0089 1277 GLU 80 HG3 -0.0067 0.0077 0.0061 1278 ALA 81 N -0.0037 0.0003 0.0059 1279 ALA 81 CA -0.0028 -0.0008 0.0051 1280 ALA 81 C -0.0024 -0.0011 0.0048 1281 ALA 81 O -0.0023 -0.0014 0.0036 1282 ALA 81 CB -0.0019 -0.0015 0.0059 1283 ALA 81 H -0.0038 0.0004 0.0067 1284 ALA 81 HA -0.0029 -0.0008 0.0041 1285 ALA 81 HB1 -0.0020 -0.0014 0.0053 1286 ALA 81 HB2 -0.0020 -0.0013 0.0070 1287 ALA 81 HB3 -0.0011 -0.0023 0.0057 1288 ILE 82 N -0.0006 -0.0035 0.0045 1289 ILE 82 CA -0.0002 -0.0035 0.0050 1290 ILE 82 C -0.0008 -0.0034 0.0049 1291 ILE 82 O -0.0006 -0.0034 0.0050 1292 ILE 82 CB -0.0002 -0.0035 0.0060 1293 ILE 82 CG1 0.0002 -0.0036 0.0062 1294 ILE 82 CG2 0.0003 -0.0036 0.0065 1295 ILE 82 CD1 0.0010 -0.0038 0.0068 1296 ILE 82 H -0.0007 -0.0034 0.0049 1297 ILE 82 HA 0.0004 -0.0037 0.0047 1298 ILE 82 HB -0.0008 -0.0034 0.0063 1299 ILE 82 HG12 -0.0003 -0.0035 0.0064 1300 ILE 82 HG13 0.0005 -0.0037 0.0055 1301 ILE 82 HG21 -0.0001 -0.0035 0.0064 1302 ILE 82 HG22 0.0009 -0.0038 0.0062 1303 ILE 82 HG23 0.0003 -0.0036 0.0072 1304 ILE 82 HD11 0.0007 -0.0037 0.0075 1305 ILE 82 HD12 0.0015 -0.0039 0.0066 1306 ILE 82 HD13 0.0012 -0.0038 0.0069 1307 ALA 83 N -0.0034 -0.0011 0.0055 1308 ALA 83 CA -0.0044 -0.0007 0.0053 1309 ALA 83 C -0.0048 -0.0014 0.0045 1310 ALA 83 O -0.0055 -0.0014 0.0042 1311 ALA 83 CB -0.0046 -0.0003 0.0056 1312 ALA 83 H -0.0029 -0.0012 0.0057 1313 ALA 83 HA -0.0047 -0.0003 0.0055 1314 ALA 83 HB1 -0.0042 0.0002 0.0061 1315 ALA 83 HB2 -0.0043 -0.0007 0.0054 1316 ALA 83 HB3 -0.0053 -0.0000 0.0054 1317 ALA 84 N -0.0062 0.0002 0.0037 1318 ALA 84 CA -0.0061 0.0002 0.0026 1319 ALA 84 C -0.0054 -0.0002 0.0021 1320 ALA 84 O -0.0054 -0.0002 0.0011 1321 ALA 84 CB -0.0061 0.0002 0.0021 1322 ALA 84 H -0.0062 0.0002 0.0040 1323 ALA 84 HA -0.0068 0.0005 0.0023 1324 ALA 84 HB1 -0.0067 0.0005 0.0024 1325 ALA 84 HB2 -0.0055 -0.0001 0.0024 1326 ALA 84 HB3 -0.0061 0.0002 0.0013 1327 CYS 85 N -0.0042 -0.0032 0.0041 1328 CYS 85 CA -0.0029 -0.0034 0.0037 1329 CYS 85 C -0.0032 -0.0034 0.0041 1330 CYS 85 O -0.0030 -0.0033 0.0031 1331 CYS 85 CB -0.0015 -0.0039 0.0044 1332 CYS 85 SG -0.0009 -0.0040 0.0045 1333 CYS 85 H -0.0043 -0.0033 0.0052 1334 CYS 85 HA -0.0027 -0.0033 0.0026 1335 CYS 85 HB2 -0.0007 -0.0040 0.0038 1336 CYS 85 HB3 -0.0016 -0.0040 0.0056 1337 CYS 85 HG -0.0019 -0.0039 0.0052 1338 GLY 86 N -0.0039 -0.0034 0.0063 1339 GLY 86 CA -0.0036 -0.0040 0.0071 1340 GLY 86 C -0.0015 -0.0054 0.0083 1341 GLY 86 O -0.0012 -0.0062 0.0093 1342 GLY 86 H -0.0049 -0.0038 0.0073 1343 GLY 86 HA2 -0.0031 -0.0032 0.0058 1344 GLY 86 HA3 -0.0052 -0.0042 0.0080 1345 ASP 87 N 0.0056 -0.0110 0.0092 1346 ASP 87 CA 0.0084 -0.0148 0.0095 1347 ASP 87 C 0.0112 -0.0121 0.0093 1348 ASP 87 O 0.0163 -0.0110 0.0093 1349 ASP 87 CB 0.0121 -0.0189 0.0099 1350 ASP 87 CG 0.0095 -0.0247 0.0103 1351 ASP 87 OD1 0.0045 -0.0255 0.0103 1352 ASP 87 OD2 0.0128 -0.0277 0.0106 1353 ASP 87 H 0.0079 -0.0092 0.0090 1354 ASP 87 HA 0.0053 -0.0172 0.0097 1355 ASP 87 HB2 0.0165 -0.0187 0.0099 1356 ASP 87 HB3 0.0118 -0.0179 0.0098 1357 VAL 88 N 0.0048 -0.0098 0.0091 1358 VAL 88 CA 0.0061 -0.0087 0.0088 1359 VAL 88 C 0.0064 -0.0093 0.0093 1360 VAL 88 O 0.0053 -0.0101 0.0095 1361 VAL 88 CB 0.0058 -0.0072 0.0075 1362 VAL 88 CG1 0.0058 -0.0065 0.0070 1363 VAL 88 CG2 0.0042 -0.0071 0.0069 1364 VAL 88 H 0.0037 -0.0101 0.0089 1365 VAL 88 HA 0.0073 -0.0086 0.0091 1366 VAL 88 HB 0.0069 -0.0065 0.0074 1367 VAL 88 HG11 0.0070 -0.0065 0.0075 1368 VAL 88 HG12 0.0048 -0.0071 0.0071 1369 VAL 88 HG13 0.0057 -0.0054 0.0062 1370 VAL 88 HG21 0.0031 -0.0078 0.0070 1371 VAL 88 HG22 0.0043 -0.0076 0.0072 1372 VAL 88 HG23 0.0040 -0.0060 0.0060 1373 PRO 89 N 0.0079 -0.0092 0.0100 1374 PRO 89 CA 0.0082 -0.0090 0.0102 1375 PRO 89 C 0.0076 -0.0085 0.0092 1376 PRO 89 O 0.0072 -0.0090 0.0092 1377 PRO 89 CB 0.0094 -0.0082 0.0107 1378 PRO 89 CG 0.0098 -0.0084 0.0111 1379 PRO 89 CD 0.0088 -0.0085 0.0103 1380 PRO 89 HA 0.0081 -0.0099 0.0106 1381 PRO 89 HB2 0.0099 -0.0084 0.0113 1382 PRO 89 HB3 0.0095 -0.0073 0.0101 1383 PRO 89 HG2 0.0099 -0.0092 0.0118 1384 PRO 89 HG3 0.0105 -0.0077 0.0113 1385 PRO 89 HD2 0.0087 -0.0076 0.0097 1386 PRO 89 HD3 0.0088 -0.0089 0.0106 1387 GLU 90 N 0.0062 -0.0068 0.0090 1388 GLU 90 CA 0.0058 -0.0063 0.0083 1389 GLU 90 C 0.0056 -0.0063 0.0078 1390 GLU 90 O 0.0058 -0.0059 0.0080 1391 GLU 90 CB 0.0060 -0.0054 0.0083 1392 GLU 90 CG 0.0057 -0.0048 0.0076 1393 GLU 90 CD 0.0059 -0.0039 0.0077 1394 GLU 90 OE1 0.0063 -0.0035 0.0083 1395 GLU 90 OE2 0.0056 -0.0036 0.0071 1396 GLU 90 H 0.0064 -0.0067 0.0093 1397 GLU 90 HA 0.0056 -0.0067 0.0080 1398 GLU 90 HB2 0.0063 -0.0051 0.0087 1399 GLU 90 HB3 0.0062 -0.0055 0.0086 1400 GLU 90 HG2 0.0054 -0.0051 0.0072 1401 GLU 90 HG3 0.0055 -0.0048 0.0073 1402 ILE 91 N 0.0053 -0.0060 0.0058 1403 ILE 91 CA 0.0047 -0.0058 0.0052 1404 ILE 91 C 0.0049 -0.0055 0.0048 1405 ILE 91 O 0.0050 -0.0057 0.0052 1406 ILE 91 CB 0.0039 -0.0062 0.0054 1407 ILE 91 CG1 0.0037 -0.0065 0.0057 1408 ILE 91 CG2 0.0033 -0.0060 0.0048 1409 ILE 91 CD1 0.0037 -0.0070 0.0065 1410 ILE 91 H 0.0052 -0.0063 0.0062 1411 ILE 91 HA 0.0048 -0.0056 0.0049 1412 ILE 91 HB 0.0039 -0.0064 0.0057 1413 ILE 91 HG12 0.0042 -0.0063 0.0057 1414 ILE 91 HG13 0.0032 -0.0065 0.0055 1415 ILE 91 HG21 0.0035 -0.0059 0.0046 1416 ILE 91 HG22 0.0033 -0.0058 0.0044 1417 ILE 91 HG23 0.0028 -0.0063 0.0049 1418 ILE 91 HD11 0.0043 -0.0069 0.0068 1419 ILE 91 HD12 0.0033 -0.0071 0.0066 1420 ILE 91 HD13 0.0036 -0.0072 0.0068 1421 MET 92 N 0.0047 -0.0051 0.0050 1422 MET 92 CA 0.0049 -0.0048 0.0046 1423 MET 92 C 0.0050 -0.0051 0.0040 1424 MET 92 O 0.0049 -0.0056 0.0039 1425 MET 92 CB 0.0049 -0.0045 0.0048 1426 MET 92 CG 0.0048 -0.0043 0.0054 1427 MET 92 SD 0.0049 -0.0036 0.0054 1428 MET 92 CE 0.0050 -0.0031 0.0050 1429 MET 92 H 0.0047 -0.0054 0.0052 1430 MET 92 HA 0.0049 -0.0044 0.0046 1431 MET 92 HB2 0.0050 -0.0042 0.0045 1432 MET 92 HB3 0.0048 -0.0049 0.0048 1433 MET 92 HG2 0.0048 -0.0042 0.0055 1434 MET 92 HG3 0.0047 -0.0046 0.0057 1435 MET 92 HE1 0.0050 -0.0031 0.0052 1436 MET 92 HE2 0.0051 -0.0033 0.0045 1437 MET 92 HE3 0.0051 -0.0027 0.0050 1438 VAL 93 N 0.0060 -0.0049 0.0044 1439 VAL 93 CA 0.0062 -0.0050 0.0044 1440 VAL 93 C 0.0063 -0.0051 0.0044 1441 VAL 93 O 0.0062 -0.0050 0.0043 1442 VAL 93 CB 0.0064 -0.0048 0.0042 1443 VAL 93 CG1 0.0066 -0.0049 0.0042 1444 VAL 93 CG2 0.0063 -0.0047 0.0042 1445 VAL 93 H 0.0059 -0.0048 0.0044 1446 VAL 93 HA 0.0063 -0.0051 0.0044 1447 VAL 93 HB 0.0063 -0.0047 0.0042 1448 VAL 93 HG11 0.0066 -0.0049 0.0042 1449 VAL 93 HG12 0.0066 -0.0050 0.0042 1450 VAL 93 HG13 0.0067 -0.0047 0.0041 1451 VAL 93 HG21 0.0063 -0.0048 0.0043 1452 VAL 93 HG22 0.0061 -0.0047 0.0043 1453 VAL 93 HG23 0.0064 -0.0046 0.0042 1454 ILE 94 N 0.0068 -0.0050 0.0043 1455 ILE 94 CA 0.0074 -0.0060 0.0037 1456 ILE 94 C 0.0083 -0.0063 0.0038 1457 ILE 94 O 0.0087 -0.0072 0.0032 1458 ILE 94 CB 0.0066 -0.0066 0.0027 1459 ILE 94 CG1 0.0060 -0.0068 0.0023 1460 ILE 94 CG2 0.0058 -0.0063 0.0027 1461 ILE 94 CD1 0.0055 -0.0077 0.0013 1462 ILE 94 H 0.0061 -0.0049 0.0041 1463 ILE 94 HA 0.0080 -0.0061 0.0039 1464 ILE 94 HB 0.0072 -0.0073 0.0024 1465 ILE 94 HG12 0.0065 -0.0069 0.0024 1466 ILE 94 HG13 0.0052 -0.0062 0.0025 1467 ILE 94 HG21 0.0063 -0.0061 0.0031 1468 ILE 94 HG22 0.0051 -0.0057 0.0030 1469 ILE 94 HG23 0.0054 -0.0068 0.0020 1470 ILE 94 HD11 0.0063 -0.0083 0.0010 1471 ILE 94 HD12 0.0049 -0.0076 0.0011 1472 ILE 94 HD13 0.0051 -0.0078 0.0010 1473 GLY 95 N 0.0076 -0.0059 0.0064 1474 GLY 95 CA 0.0085 -0.0060 0.0067 1475 GLY 95 C 0.0091 -0.0062 0.0069 1476 GLY 95 O 0.0089 -0.0061 0.0068 1477 GLY 95 H 0.0074 -0.0052 0.0062 1478 GLY 95 HA2 0.0085 -0.0066 0.0069 1479 GLY 95 HA3 0.0088 -0.0054 0.0066 1480 GLY 96 N 0.0100 -0.0067 0.0096 1481 GLY 96 CA 0.0100 -0.0069 0.0097 1482 GLY 96 C 0.0103 -0.0060 0.0089 1483 GLY 96 O 0.0100 -0.0053 0.0082 1484 GLY 96 H 0.0108 -0.0069 0.0098 1485 GLY 96 HA2 0.0106 -0.0074 0.0102 1486 GLY 96 HA3 0.0091 -0.0071 0.0099 1487 GLY 97 N 0.0096 -0.0054 0.0092 1488 GLY 97 CA 0.0096 -0.0049 0.0078 1489 GLY 97 C 0.0108 -0.0050 0.0068 1490 GLY 97 O 0.0105 -0.0046 0.0058 1491 GLY 97 H 0.0099 -0.0057 0.0100 1492 GLY 97 HA2 0.0098 -0.0050 0.0078 1493 GLY 97 HA3 0.0086 -0.0045 0.0074 1494 ARG 98 N 0.0126 -0.0082 0.0105 1495 ARG 98 CA 0.0121 -0.0056 0.0112 1496 ARG 98 C 0.0116 -0.0046 0.0087 1497 ARG 98 O 0.0114 -0.0035 0.0092 1498 ARG 98 CB 0.0117 -0.0033 0.0121 1499 ARG 98 CG 0.0112 -0.0004 0.0128 1500 ARG 98 CD 0.0108 0.0019 0.0139 1501 ARG 98 NE 0.0103 0.0046 0.0143 1502 ARG 98 CZ 0.0098 0.0072 0.0144 1503 ARG 98 NH1 0.0093 0.0094 0.0145 1504 ARG 98 NH2 0.0096 0.0077 0.0142 1505 ARG 98 H 0.0126 -0.0083 0.0106 1506 ARG 98 HA 0.0123 -0.0059 0.0130 1507 ARG 98 HB2 0.0120 -0.0040 0.0140 1508 ARG 98 HB3 0.0115 -0.0031 0.0104 1509 ARG 98 HG2 0.0108 0.0004 0.0108 1510 ARG 98 HG3 0.0114 -0.0007 0.0143 1511 ARG 98 HD2 0.0111 0.0012 0.0159 1512 ARG 98 HD3 0.0106 0.0021 0.0124 1513 ARG 98 HE 0.0103 0.0045 0.0144 1514 ARG 98 HH11 0.0089 0.0114 0.0144 1515 ARG 98 HH12 0.0094 0.0091 0.0144 1516 ARG 98 HH21 0.0099 0.0061 0.0141 1517 ARG 98 HH22 0.0092 0.0097 0.0142 1518 VAL 99 N 0.0093 -0.0043 0.0079 1519 VAL 99 CA 0.0087 -0.0039 0.0073 1520 VAL 99 C 0.0082 -0.0039 0.0069 1521 VAL 99 O 0.0081 -0.0032 0.0064 1522 VAL 99 CB 0.0082 -0.0044 0.0072 1523 VAL 99 CG1 0.0075 -0.0042 0.0065 1524 VAL 99 CG2 0.0087 -0.0042 0.0074 1525 VAL 99 H 0.0092 -0.0049 0.0082 1526 VAL 99 HA 0.0089 -0.0033 0.0071 1527 VAL 99 HB 0.0080 -0.0051 0.0074 1528 VAL 99 HG11 0.0071 -0.0043 0.0062 1529 VAL 99 HG12 0.0076 -0.0035 0.0062 1530 VAL 99 HG13 0.0072 -0.0045 0.0064 1531 VAL 99 HG21 0.0089 -0.0035 0.0073 1532 VAL 99 HG22 0.0091 -0.0045 0.0080 1533 VAL 99 HG23 0.0083 -0.0045 0.0073 1534 TYR 100 N 0.0094 -0.0039 0.0044 1535 TYR 100 CA 0.0086 -0.0041 0.0037 1536 TYR 100 C 0.0087 -0.0042 0.0028 1537 TYR 100 O 0.0088 -0.0043 0.0020 1538 TYR 100 CB 0.0076 -0.0040 0.0041 1539 TYR 100 CG 0.0074 -0.0039 0.0049 1540 TYR 100 CD1 0.0075 -0.0039 0.0048 1541 TYR 100 CD2 0.0069 -0.0038 0.0057 1542 TYR 100 CE1 0.0072 -0.0038 0.0055 1543 TYR 100 CE2 0.0066 -0.0037 0.0064 1544 TYR 100 CZ 0.0067 -0.0037 0.0063 1545 TYR 100 OH 0.0064 -0.0036 0.0070 1546 TYR 100 H 0.0092 -0.0038 0.0050 1547 TYR 100 HA 0.0088 -0.0041 0.0034 1548 TYR 100 HB2 0.0071 -0.0041 0.0036 1549 TYR 100 HB3 0.0075 -0.0040 0.0043 1550 TYR 100 HD1 0.0079 -0.0040 0.0042 1551 TYR 100 HD2 0.0068 -0.0038 0.0058 1552 TYR 100 HE1 0.0073 -0.0038 0.0055 1553 TYR 100 HE2 0.0062 -0.0036 0.0070 1554 TYR 100 HH 0.0064 -0.0037 0.0068 1555 GLU 101 N 0.0087 -0.0031 0.0026 1556 GLU 101 CA 0.0091 -0.0029 0.0017 1557 GLU 101 C 0.0101 -0.0025 0.0005 1558 GLU 101 O 0.0099 -0.0023 -0.0008 1559 GLU 101 CB 0.0098 -0.0028 0.0027 1560 GLU 101 CG 0.0099 -0.0028 0.0023 1561 GLU 101 CD 0.0102 -0.0029 0.0037 1562 GLU 101 OE1 0.0114 -0.0027 0.0043 1563 GLU 101 OE2 0.0093 -0.0032 0.0041 1564 GLU 101 H 0.0088 -0.0032 0.0037 1565 GLU 101 HA 0.0081 -0.0030 0.0012 1566 GLU 101 HB2 0.0109 -0.0026 0.0030 1567 GLU 101 HB3 0.0092 -0.0031 0.0037 1568 GLU 101 HG2 0.0088 -0.0029 0.0019 1569 GLU 101 HG3 0.0107 -0.0025 0.0015 1570 GLN 102 N 0.0092 -0.0037 0.0041 1571 GLN 102 CA 0.0096 -0.0027 0.0031 1572 GLN 102 C 0.0091 -0.0028 0.0016 1573 GLN 102 O 0.0093 -0.0022 0.0008 1574 GLN 102 CB 0.0103 -0.0018 0.0034 1575 GLN 102 CG 0.0110 -0.0013 0.0047 1576 GLN 102 CD 0.0116 -0.0006 0.0051 1577 GLN 102 OE1 0.0118 0.0001 0.0044 1578 GLN 102 NE2 0.0117 -0.0010 0.0063 1579 GLN 102 H 0.0093 -0.0039 0.0046 1580 GLN 102 HA 0.0099 -0.0023 0.0032 1581 GLN 102 HB2 0.0106 -0.0010 0.0026 1582 GLN 102 HB3 0.0101 -0.0022 0.0035 1583 GLN 102 HG2 0.0108 -0.0020 0.0055 1584 GLN 102 HG3 0.0113 -0.0007 0.0046 1585 GLN 102 HE21 0.0113 -0.0017 0.0068 1586 GLN 102 HE22 0.0119 -0.0007 0.0065 1587 PHE 103 N 0.0076 -0.0039 0.0032 1588 PHE 103 CA 0.0071 -0.0037 0.0033 1589 PHE 103 C 0.0071 -0.0033 0.0033 1590 PHE 103 O 0.0067 -0.0030 0.0034 1591 PHE 103 CB 0.0068 -0.0041 0.0034 1592 PHE 103 CG 0.0067 -0.0043 0.0034 1593 PHE 103 CD1 0.0063 -0.0042 0.0035 1594 PHE 103 CD2 0.0069 -0.0047 0.0034 1595 PHE 103 CE1 0.0061 -0.0044 0.0035 1596 PHE 103 CE2 0.0068 -0.0050 0.0034 1597 PHE 103 CZ 0.0064 -0.0048 0.0035 1598 PHE 103 H 0.0077 -0.0042 0.0032 1599 PHE 103 HA 0.0071 -0.0035 0.0033 1600 PHE 103 HB2 0.0065 -0.0039 0.0035 1601 PHE 103 HB3 0.0069 -0.0043 0.0034 1602 PHE 103 HD1 0.0061 -0.0039 0.0035 1603 PHE 103 HD2 0.0072 -0.0048 0.0033 1604 PHE 103 HE1 0.0058 -0.0044 0.0036 1605 PHE 103 HE2 0.0070 -0.0053 0.0034 1606 PHE 103 HZ 0.0063 -0.0050 0.0035 1607 LEU 104 N 0.0093 -0.0050 -0.0042 1608 LEU 104 CA 0.0081 -0.0042 -0.0049 1609 LEU 104 C 0.0084 -0.0043 -0.0060 1610 LEU 104 O 0.0078 -0.0039 -0.0058 1611 LEU 104 CB 0.0076 -0.0038 -0.0055 1612 LEU 104 CG 0.0063 -0.0029 -0.0063 1613 LEU 104 CD1 0.0053 -0.0023 -0.0055 1614 LEU 104 CD2 0.0059 -0.0026 -0.0062 1615 LEU 104 H 0.0094 -0.0052 -0.0041 1616 LEU 104 HA 0.0074 -0.0038 -0.0041 1617 LEU 104 HB2 0.0083 -0.0042 -0.0063 1618 LEU 104 HB3 0.0074 -0.0037 -0.0045 1619 LEU 104 HG 0.0065 -0.0029 -0.0074 1620 LEU 104 HD11 0.0057 -0.0025 -0.0054 1621 LEU 104 HD12 0.0052 -0.0023 -0.0044 1622 LEU 104 HD13 0.0045 -0.0017 -0.0061 1623 LEU 104 HD21 0.0058 -0.0026 -0.0051 1624 LEU 104 HD22 0.0066 -0.0030 -0.0068 1625 LEU 104 HD23 0.0050 -0.0019 -0.0068 1626 PRO 105 N 0.0074 -0.0034 -0.0054 1627 PRO 105 CA 0.0077 -0.0034 -0.0068 1628 PRO 105 C 0.0082 -0.0033 -0.0073 1629 PRO 105 O 0.0078 -0.0034 -0.0085 1630 PRO 105 CB 0.0087 -0.0032 -0.0070 1631 PRO 105 CG 0.0084 -0.0033 -0.0059 1632 PRO 105 CD 0.0080 -0.0033 -0.0047 1633 PRO 105 HA 0.0069 -0.0035 -0.0075 1634 PRO 105 HB2 0.0085 -0.0033 -0.0080 1635 PRO 105 HB3 0.0097 -0.0031 -0.0070 1636 PRO 105 HG2 0.0076 -0.0034 -0.0061 1637 PRO 105 HG3 0.0093 -0.0031 -0.0056 1638 PRO 105 HD2 0.0088 -0.0032 -0.0041 1639 PRO 105 HD3 0.0072 -0.0034 -0.0040 1640 LYS 106 N 0.0067 -0.0073 0.0021 1641 LYS 106 CA 0.0070 -0.0072 0.0014 1642 LYS 106 C 0.0081 -0.0077 0.0005 1643 LYS 106 O 0.0085 -0.0077 -0.0000 1644 LYS 106 CB 0.0063 -0.0060 0.0007 1645 LYS 106 CG 0.0052 -0.0055 0.0015 1646 LYS 106 CD 0.0046 -0.0044 0.0008 1647 LYS 106 CE 0.0035 -0.0038 0.0016 1648 LYS 106 NZ 0.0028 -0.0027 0.0010 1649 LYS 106 H 0.0068 -0.0071 0.0016 1650 LYS 106 HA 0.0069 -0.0075 0.0020 1651 LYS 106 HB2 0.0066 -0.0059 0.0001 1652 LYS 106 HB3 0.0064 -0.0057 0.0002 1653 LYS 106 HG2 0.0049 -0.0055 0.0020 1654 LYS 106 HG3 0.0052 -0.0058 0.0021 1655 LYS 106 HD2 0.0048 -0.0043 0.0003 1656 LYS 106 HD3 0.0047 -0.0040 0.0002 1657 LYS 106 HE2 0.0032 -0.0039 0.0021 1658 LYS 106 HE3 0.0034 -0.0041 0.0023 1659 LYS 106 HZ1 0.0029 -0.0024 0.0004 1660 LYS 106 HZ2 0.0031 -0.0027 0.0005 1661 LYS 106 HZ3 0.0021 -0.0024 0.0015 1662 ALA 107 N 0.0093 -0.0067 -0.0037 1663 ALA 107 CA 0.0086 -0.0059 -0.0026 1664 ALA 107 C 0.0078 -0.0060 -0.0037 1665 ALA 107 O 0.0072 -0.0063 -0.0052 1666 ALA 107 CB 0.0073 -0.0050 -0.0018 1667 ALA 107 H 0.0088 -0.0066 -0.0039 1668 ALA 107 HA 0.0095 -0.0060 -0.0017 1669 ALA 107 HB1 0.0079 -0.0050 -0.0011 1670 ALA 107 HB2 0.0063 -0.0049 -0.0028 1671 ALA 107 HB3 0.0068 -0.0044 -0.0010 1672 GLN 108 N 0.0065 -0.0074 -0.0030 1673 GLN 108 CA 0.0060 -0.0065 -0.0026 1674 GLN 108 C 0.0050 -0.0042 -0.0014 1675 GLN 108 O 0.0043 -0.0030 -0.0012 1676 GLN 108 CB 0.0072 -0.0076 -0.0010 1677 GLN 108 CG 0.0079 -0.0095 -0.0024 1678 GLN 108 CD 0.0086 -0.0100 -0.0011 1679 GLN 108 OE1 0.0080 -0.0085 -0.0002 1680 GLN 108 NE2 0.0099 -0.0120 -0.0009 1681 GLN 108 H 0.0069 -0.0074 -0.0015 1682 GLN 108 HA 0.0055 -0.0065 -0.0043 1683 GLN 108 HB2 0.0067 -0.0066 -0.0003 1684 GLN 108 HB3 0.0078 -0.0080 0.0004 1685 GLN 108 HG2 0.0087 -0.0108 -0.0026 1686 GLN 108 HG3 0.0073 -0.0093 -0.0042 1687 GLN 108 HE21 0.0105 -0.0124 0.0001 1688 GLN 108 HE22 0.0103 -0.0130 -0.0017 1689 LYS 109 N 0.0049 -0.0022 0.0006 1690 LYS 109 CA 0.0038 -0.0006 0.0017 1691 LYS 109 C 0.0037 -0.0005 0.0017 1692 LYS 109 O 0.0047 -0.0018 0.0014 1693 LYS 109 CB 0.0036 -0.0003 0.0037 1694 LYS 109 CG 0.0030 0.0005 0.0057 1695 LYS 109 CD 0.0029 0.0007 0.0073 1696 LYS 109 CE 0.0027 0.0009 0.0096 1697 LYS 109 NZ 0.0024 0.0014 0.0111 1698 LYS 109 H 0.0057 -0.0033 0.0005 1699 LYS 109 HA 0.0029 0.0006 0.0009 1700 LYS 109 HB2 0.0045 -0.0016 0.0041 1701 LYS 109 HB3 0.0030 0.0005 0.0032 1702 LYS 109 HG2 0.0022 0.0017 0.0054 1703 LYS 109 HG3 0.0037 -0.0004 0.0064 1704 LYS 109 HD2 0.0037 -0.0005 0.0073 1705 LYS 109 HD3 0.0021 0.0019 0.0069 1706 LYS 109 HE2 0.0020 0.0020 0.0096 1707 LYS 109 HE3 0.0036 -0.0003 0.0102 1708 LYS 109 HZ1 0.0016 0.0026 0.0106 1709 LYS 109 HZ2 0.0030 0.0005 0.0111 1710 LYS 109 HZ3 0.0022 0.0016 0.0126 1711 LEU 110 N 0.0020 0.0016 0.0016 1712 LEU 110 CA 0.0015 0.0021 0.0023 1713 LEU 110 C 0.0006 0.0032 0.0043 1714 LEU 110 O -0.0002 0.0039 0.0045 1715 LEU 110 CB 0.0007 0.0025 0.0007 1716 LEU 110 CG 0.0010 0.0019 -0.0017 1717 LEU 110 CD1 -0.0005 0.0029 -0.0029 1718 LEU 110 CD2 0.0026 0.0006 -0.0018 1719 LEU 110 H 0.0011 0.0023 0.0012 1720 LEU 110 HA 0.0027 0.0012 0.0027 1721 LEU 110 HB2 0.0009 0.0025 0.0013 1722 LEU 110 HB3 -0.0006 0.0036 0.0006 1723 LEU 110 HG 0.0012 0.0017 -0.0023 1724 LEU 110 HD11 -0.0016 0.0039 -0.0028 1725 LEU 110 HD12 -0.0006 0.0031 -0.0023 1726 LEU 110 HD13 -0.0003 0.0024 -0.0046 1727 LEU 110 HD21 0.0024 0.0008 -0.0012 1728 LEU 110 HD22 0.0037 -0.0002 -0.0009 1729 LEU 110 HD23 0.0028 0.0001 -0.0035 1730 TYR 111 N 0.0015 0.0010 0.0036 1731 TYR 111 CA 0.0012 0.0018 0.0046 1732 TYR 111 C 0.0007 0.0023 0.0042 1733 TYR 111 O 0.0010 0.0018 0.0041 1734 TYR 111 CB 0.0018 0.0014 0.0057 1735 TYR 111 CG 0.0023 0.0010 0.0063 1736 TYR 111 CD1 0.0029 -0.0000 0.0058 1737 TYR 111 CD2 0.0023 0.0014 0.0073 1738 TYR 111 CE1 0.0034 -0.0005 0.0064 1739 TYR 111 CE2 0.0028 0.0010 0.0079 1740 TYR 111 CZ 0.0033 -0.0000 0.0074 1741 TYR 111 OH 0.0038 -0.0004 0.0080 1742 TYR 111 H 0.0017 0.0005 0.0034 1743 TYR 111 HA 0.0008 0.0024 0.0047 1744 TYR 111 HB2 0.0016 0.0020 0.0063 1745 TYR 111 HB3 0.0021 0.0009 0.0054 1746 TYR 111 HD1 0.0029 -0.0004 0.0050 1747 TYR 111 HD2 0.0018 0.0022 0.0077 1748 TYR 111 HE1 0.0038 -0.0012 0.0060 1749 TYR 111 HE2 0.0028 0.0013 0.0087 1750 TYR 111 HH 0.0043 -0.0011 0.0079 1751 LEU 112 N -0.0018 0.0037 0.0044 1752 LEU 112 CA -0.0019 0.0038 0.0041 1753 LEU 112 C -0.0026 0.0042 0.0048 1754 LEU 112 O -0.0033 0.0048 0.0048 1755 LEU 112 CB -0.0020 0.0042 0.0030 1756 LEU 112 CG -0.0012 0.0037 0.0023 1757 LEU 112 CD1 -0.0015 0.0042 0.0014 1758 LEU 112 CD2 -0.0006 0.0033 0.0020 1759 LEU 112 H -0.0023 0.0041 0.0043 1760 LEU 112 HA -0.0013 0.0033 0.0042 1761 LEU 112 HB2 -0.0020 0.0043 0.0028 1762 LEU 112 HB3 -0.0025 0.0046 0.0029 1763 LEU 112 HG -0.0010 0.0035 0.0026 1764 LEU 112 HD11 -0.0020 0.0046 0.0016 1765 LEU 112 HD12 -0.0018 0.0045 0.0010 1766 LEU 112 HD13 -0.0011 0.0040 0.0008 1767 LEU 112 HD21 -0.0008 0.0036 0.0016 1768 LEU 112 HD22 -0.0003 0.0029 0.0026 1769 LEU 112 HD23 -0.0001 0.0030 0.0014 1770 THR 113 N 0.0000 0.0015 0.0054 1771 THR 113 CA 0.0003 0.0012 0.0052 1772 THR 113 C 0.0001 0.0009 0.0058 1773 THR 113 O -0.0002 0.0013 0.0061 1774 THR 113 CB 0.0003 0.0017 0.0047 1775 THR 113 OG1 0.0003 0.0020 0.0042 1776 THR 113 CG2 0.0006 0.0013 0.0043 1777 THR 113 H -0.0003 0.0019 0.0055 1778 THR 113 HA 0.0006 0.0008 0.0050 1779 THR 113 HB -0.0001 0.0020 0.0049 1780 THR 113 HG21 0.0006 0.0010 0.0047 1781 THR 113 HG22 0.0009 0.0011 0.0040 1782 THR 113 HG23 0.0006 0.0017 0.0041 1783 THR 113 HG1 0.0003 0.0023 0.0038 1784 HIS 114 N -0.0011 0.0008 0.0062 1785 HIS 114 CA -0.0007 0.0004 0.0068 1786 HIS 114 C -0.0010 -0.0008 0.0077 1787 HIS 114 O -0.0020 -0.0015 0.0075 1788 HIS 114 CB -0.0010 0.0009 0.0062 1789 HIS 114 CG -0.0008 0.0021 0.0052 1790 HIS 114 ND1 0.0002 0.0030 0.0052 1791 HIS 114 CD2 -0.0017 0.0025 0.0042 1792 HIS 114 CE1 -0.0000 0.0039 0.0042 1793 HIS 114 NE2 -0.0011 0.0036 0.0036 1794 HIS 114 H -0.0019 0.0008 0.0056 1795 HIS 114 HA 0.0003 0.0008 0.0072 1796 HIS 114 HB2 -0.0004 0.0009 0.0066 1797 HIS 114 HB3 -0.0019 0.0004 0.0059 1798 HIS 114 HD1 0.0011 0.0029 0.0059 1799 HIS 114 HD2 -0.0026 0.0021 0.0040 1800 HIS 114 HE2 -0.0015 0.0042 0.0028 1801 HIS 114 HE1 0.0006 0.0047 0.0039 1802 ILE 115 N -0.0005 -0.0017 0.0085 1803 ILE 115 CA -0.0004 -0.0014 0.0082 1804 ILE 115 C -0.0007 -0.0025 0.0093 1805 ILE 115 O -0.0014 -0.0028 0.0105 1806 ILE 115 CB -0.0013 0.0003 0.0083 1807 ILE 115 CG1 -0.0013 0.0016 0.0075 1808 ILE 115 CG2 -0.0013 0.0007 0.0081 1809 ILE 115 CD1 -0.0003 0.0014 0.0061 1810 ILE 115 H -0.0012 -0.0011 0.0092 1811 ILE 115 HA 0.0003 -0.0014 0.0071 1812 ILE 115 HB -0.0020 0.0003 0.0094 1813 ILE 115 HG12 -0.0017 0.0027 0.0073 1814 ILE 115 HG13 -0.0018 0.0017 0.0081 1815 ILE 115 HG21 -0.0015 -0.0001 0.0088 1816 ILE 115 HG22 -0.0006 0.0007 0.0070 1817 ILE 115 HG23 -0.0020 0.0018 0.0083 1818 ILE 115 HD11 0.0003 0.0011 0.0055 1819 ILE 115 HD12 0.0000 0.0004 0.0063 1820 ILE 115 HD13 -0.0003 0.0024 0.0055 1821 ASP 116 N 0.0010 -0.0038 0.0095 1822 ASP 116 CA 0.0011 -0.0052 0.0109 1823 ASP 116 C -0.0005 -0.0035 0.0106 1824 ASP 116 O 0.0005 -0.0028 0.0089 1825 ASP 116 CB 0.0038 -0.0067 0.0099 1826 ASP 116 CG 0.0053 -0.0089 0.0108 1827 ASP 116 OD1 0.0059 -0.0088 0.0102 1828 ASP 116 OD2 0.0059 -0.0109 0.0123 1829 ASP 116 H 0.0019 -0.0029 0.0078 1830 ASP 116 HA 0.0004 -0.0064 0.0128 1831 ASP 116 HB2 0.0037 -0.0073 0.0106 1832 ASP 116 HB3 0.0047 -0.0056 0.0080 1833 ALA 117 N -0.0052 -0.0034 0.0118 1834 ALA 117 CA -0.0066 -0.0018 0.0125 1835 ALA 117 C -0.0082 -0.0019 0.0137 1836 ALA 117 O -0.0082 -0.0020 0.0137 1837 ALA 117 CB -0.0059 0.0004 0.0118 1838 ALA 117 H -0.0054 -0.0040 0.0119 1839 ALA 117 HA -0.0068 -0.0022 0.0127 1840 ALA 117 HB1 -0.0048 0.0004 0.0110 1841 ALA 117 HB2 -0.0057 0.0008 0.0116 1842 ALA 117 HB3 -0.0069 0.0015 0.0124 1843 GLU 118 N -0.0112 -0.0019 0.0146 1844 GLU 118 CA -0.0132 -0.0018 0.0162 1845 GLU 118 C -0.0138 0.0013 0.0175 1846 GLU 118 O -0.0154 0.0020 0.0190 1847 GLU 118 CB -0.0155 -0.0036 0.0175 1848 GLU 118 CG -0.0164 -0.0068 0.0173 1849 GLU 118 CD -0.0191 -0.0076 0.0192 1850 GLU 118 OE1 -0.0204 -0.0074 0.0203 1851 GLU 118 OE2 -0.0199 -0.0082 0.0197 1852 GLU 118 H -0.0116 -0.0017 0.0149 1853 GLU 118 HA -0.0127 -0.0026 0.0155 1854 GLU 118 HB2 -0.0169 -0.0025 0.0189 1855 GLU 118 HB3 -0.0154 -0.0035 0.0174 1856 GLU 118 HG2 -0.0158 -0.0081 0.0164 1857 GLU 118 HG3 -0.0156 -0.0073 0.0165 1858 VAL 119 N -0.0110 0.0008 0.0156 1859 VAL 119 CA -0.0109 0.0025 0.0165 1860 VAL 119 C -0.0111 0.0025 0.0167 1861 VAL 119 O -0.0106 0.0015 0.0157 1862 VAL 119 CB -0.0094 0.0036 0.0161 1863 VAL 119 CG1 -0.0091 0.0033 0.0156 1864 VAL 119 CG2 -0.0082 0.0036 0.0151 1865 VAL 119 H -0.0102 0.0004 0.0147 1866 VAL 119 HA -0.0118 0.0028 0.0175 1867 VAL 119 HB -0.0095 0.0049 0.0169 1868 VAL 119 HG11 -0.0100 0.0034 0.0164 1869 VAL 119 HG12 -0.0090 0.0021 0.0148 1870 VAL 119 HG13 -0.0081 0.0041 0.0154 1871 VAL 119 HG21 -0.0081 0.0023 0.0143 1872 VAL 119 HG22 -0.0084 0.0039 0.0155 1873 VAL 119 HG23 -0.0071 0.0044 0.0148 1874 GLU 120 N -0.0099 0.0019 0.0168 1875 GLU 120 CA -0.0093 0.0020 0.0165 1876 GLU 120 C -0.0075 0.0027 0.0164 1877 GLU 120 O -0.0069 0.0034 0.0172 1878 GLU 120 CB -0.0100 0.0024 0.0177 1879 GLU 120 CG -0.0095 0.0024 0.0174 1880 GLU 120 CD -0.0098 0.0015 0.0160 1881 GLU 120 OE1 -0.0087 0.0014 0.0150 1882 GLU 120 OE2 -0.0113 0.0008 0.0158 1883 GLU 120 H -0.0095 0.0025 0.0176 1884 GLU 120 HA -0.0095 0.0013 0.0154 1885 GLU 120 HB2 -0.0097 0.0030 0.0187 1886 GLU 120 HB3 -0.0112 0.0019 0.0178 1887 GLU 120 HG2 -0.0083 0.0029 0.0175 1888 GLU 120 HG3 -0.0102 0.0026 0.0183 1889 GLY 121 N -0.0061 0.0025 0.0148 1890 GLY 121 CA -0.0045 0.0028 0.0146 1891 GLY 121 C -0.0039 0.0027 0.0140 1892 GLY 121 O -0.0046 0.0023 0.0135 1893 GLY 121 H -0.0066 0.0020 0.0141 1894 GLY 121 HA2 -0.0042 0.0026 0.0140 1895 GLY 121 HA3 -0.0041 0.0034 0.0156 1896 ASP 122 N -0.0012 0.0018 0.0137 1897 ASP 122 CA -0.0003 0.0019 0.0132 1898 ASP 122 C 0.0000 0.0019 0.0123 1899 ASP 122 O 0.0004 0.0019 0.0116 1900 ASP 122 CB 0.0005 0.0019 0.0140 1901 ASP 122 CG 0.0007 0.0019 0.0146 1902 ASP 122 OD1 0.0009 0.0019 0.0155 1903 ASP 122 OD2 0.0006 0.0019 0.0142 1904 ASP 122 H -0.0010 0.0018 0.0141 1905 ASP 122 HA -0.0005 0.0019 0.0130 1906 ASP 122 HB2 0.0003 0.0019 0.0145 1907 ASP 122 HB3 0.0012 0.0020 0.0136 1908 THR 123 N -0.0004 0.0015 0.0105 1909 THR 123 CA 0.0009 0.0005 0.0098 1910 THR 123 C -0.0001 0.0005 0.0090 1911 THR 123 O -0.0010 0.0013 0.0099 1912 THR 123 CB 0.0027 0.0006 0.0112 1913 THR 123 OG1 0.0033 0.0010 0.0122 1914 THR 123 CG2 0.0043 -0.0006 0.0103 1915 THR 123 H -0.0006 0.0023 0.0118 1916 THR 123 HA 0.0014 -0.0003 0.0087 1917 THR 123 HB 0.0024 0.0013 0.0121 1918 THR 123 HG21 0.0039 -0.0009 0.0094 1919 THR 123 HG22 0.0047 -0.0012 0.0096 1920 THR 123 HG23 0.0055 -0.0004 0.0113 1921 THR 123 HG1 0.0024 0.0017 0.0127 1922 HIS 124 N 0.0015 0.0009 0.0089 1923 HIS 124 CA 0.0002 0.0002 0.0075 1924 HIS 124 C 0.0015 -0.0002 0.0060 1925 HIS 124 O 0.0032 -0.0000 0.0057 1926 HIS 124 CB -0.0013 -0.0003 0.0067 1927 HIS 124 CG -0.0024 0.0001 0.0084 1928 HIS 124 ND1 -0.0043 0.0000 0.0089 1929 HIS 124 CD2 -0.0017 0.0007 0.0098 1930 HIS 124 CE1 -0.0049 0.0005 0.0104 1931 HIS 124 NE2 -0.0033 0.0010 0.0110 1932 HIS 124 H 0.0026 0.0009 0.0085 1933 HIS 124 HA -0.0007 0.0003 0.0082 1934 HIS 124 HB2 -0.0023 -0.0008 0.0058 1935 HIS 124 HB3 -0.0005 -0.0005 0.0059 1936 HIS 124 HD1 -0.0053 -0.0004 0.0081 1937 HIS 124 HD2 -0.0003 0.0010 0.0099 1938 HIS 124 HE2 -0.0033 0.0014 0.0122 1939 HIS 124 HE1 -0.0063 0.0006 0.0111 1940 PHE 125 N 0.0015 -0.0006 0.0047 1941 PHE 125 CA 0.0022 -0.0007 0.0035 1942 PHE 125 C 0.0025 -0.0007 0.0012 1943 PHE 125 O 0.0015 -0.0006 0.0002 1944 PHE 125 CB 0.0005 -0.0005 0.0039 1945 PHE 125 CG 0.0011 -0.0005 0.0031 1946 PHE 125 CD1 0.0023 -0.0007 0.0043 1947 PHE 125 CD2 0.0003 -0.0005 0.0011 1948 PHE 125 CE1 0.0029 -0.0008 0.0034 1949 PHE 125 CE2 0.0009 -0.0005 0.0002 1950 PHE 125 CZ 0.0022 -0.0007 0.0014 1951 PHE 125 H -0.0000 -0.0004 0.0049 1952 PHE 125 HA 0.0036 -0.0008 0.0042 1953 PHE 125 HB2 -0.0009 -0.0003 0.0031 1954 PHE 125 HB3 0.0002 -0.0004 0.0056 1955 PHE 125 HD1 0.0029 -0.0007 0.0058 1956 PHE 125 HD2 -0.0007 -0.0003 0.0003 1957 PHE 125 HE1 0.0039 -0.0009 0.0043 1958 PHE 125 HE2 0.0003 -0.0005 -0.0013 1959 PHE 125 HZ 0.0026 -0.0007 0.0008 1960 PRO 126 N 0.0049 -0.0020 0.0000 1961 PRO 126 CA 0.0056 -0.0017 -0.0025 1962 PRO 126 C 0.0034 -0.0005 -0.0038 1963 PRO 126 O 0.0017 0.0001 -0.0029 1964 PRO 126 CB 0.0065 -0.0021 -0.0025 1965 PRO 126 CG 0.0059 -0.0024 -0.0001 1966 PRO 126 CD 0.0060 -0.0028 0.0015 1967 PRO 126 HA 0.0067 -0.0021 -0.0033 1968 PRO 126 HB2 0.0083 -0.0028 -0.0029 1969 PRO 126 HB3 0.0058 -0.0015 -0.0038 1970 PRO 126 HG2 0.0072 -0.0031 0.0004 1971 PRO 126 HG3 0.0043 -0.0018 0.0001 1972 PRO 126 HD2 0.0051 -0.0028 0.0032 1973 PRO 126 HD3 0.0077 -0.0036 0.0017 1974 ASP 127 N 0.0087 0.0025 -0.0098 1975 ASP 127 CA 0.0035 0.0040 -0.0139 1976 ASP 127 C 0.0018 0.0053 -0.0182 1977 ASP 127 O 0.0035 0.0066 -0.0239 1978 ASP 127 CB 0.0045 0.0049 -0.0177 1979 ASP 127 CG -0.0024 0.0060 -0.0193 1980 ASP 127 OD1 -0.0054 0.0073 -0.0230 1981 ASP 127 OD2 -0.0045 0.0054 -0.0162 1982 ASP 127 H 0.0131 0.0023 -0.0106 1983 ASP 127 HA -0.0005 0.0036 -0.0106 1984 ASP 127 HB2 0.0073 0.0057 -0.0220 1985 ASP 127 HB3 0.0070 0.0040 -0.0149 1986 TYR 128 N 0.0011 0.0018 -0.0158 1987 TYR 128 CA -0.0000 0.0028 -0.0178 1988 TYR 128 C -0.0028 0.0053 -0.0224 1989 TYR 128 O -0.0040 0.0062 -0.0238 1990 TYR 128 CB -0.0022 0.0033 -0.0137 1991 TYR 128 CG -0.0064 0.0051 -0.0104 1992 TYR 128 CD1 -0.0063 0.0044 -0.0068 1993 TYR 128 CD2 -0.0105 0.0075 -0.0104 1994 TYR 128 CE1 -0.0101 0.0060 -0.0036 1995 TYR 128 CE2 -0.0144 0.0091 -0.0071 1996 TYR 128 CZ -0.0142 0.0084 -0.0038 1997 TYR 128 OH -0.0180 0.0100 -0.0005 1998 TYR 128 H 0.0003 0.0016 -0.0121 1999 TYR 128 HA 0.0031 0.0012 -0.0189 2000 TYR 128 HB2 0.0003 0.0014 -0.0111 2001 TYR 128 HB3 -0.0031 0.0042 -0.0157 2002 TYR 128 HD1 -0.0032 0.0025 -0.0066 2003 TYR 128 HD2 -0.0107 0.0081 -0.0129 2004 TYR 128 HE1 -0.0099 0.0054 -0.0010 2005 TYR 128 HE2 -0.0175 0.0109 -0.0072 2006 TYR 128 HH -0.0207 0.0116 -0.0008 2007 GLU 129 N -0.0086 0.0056 -0.0420 2008 GLU 129 CA -0.0195 0.0100 -0.0587 2009 GLU 129 C -0.0268 0.0161 -0.0551 2010 GLU 129 O -0.0194 0.0106 -0.0554 2011 GLU 129 CB -0.0110 -0.0003 -0.0764 2012 GLU 129 CG -0.0212 0.0032 -0.0948 2013 GLU 129 CD -0.0343 0.0120 -0.0990 2014 GLU 129 OE1 -0.0478 0.0218 -0.0999 2015 GLU 129 OE2 -0.0297 0.0080 -0.1018 2016 GLU 129 H -0.0004 -0.0002 -0.0405 2017 GLU 129 HA -0.0283 0.0159 -0.0612 2018 GLU 129 HB2 -0.0027 -0.0059 -0.0743 2019 GLU 129 HB3 -0.0050 -0.0050 -0.0777 2020 GLU 129 HG2 -0.0260 0.0068 -0.0944 2021 GLU 129 HG3 -0.0141 -0.0045 -0.1060 2022 PRO 130 N -0.0309 0.0176 -0.0564 2023 PRO 130 CA -0.0388 0.0252 -0.0521 2024 PRO 130 C -0.0359 0.0211 -0.0580 2025 PRO 130 O -0.0342 0.0228 -0.0481 2026 PRO 130 CB -0.0538 0.0346 -0.0595 2027 PRO 130 CG -0.0529 0.0319 -0.0660 2028 PRO 130 CD -0.0394 0.0243 -0.0565 2029 PRO 130 HA -0.0364 0.0274 -0.0386 2030 PRO 130 HB2 -0.0601 0.0425 -0.0499 2031 PRO 130 HB3 -0.0580 0.0348 -0.0697 2032 PRO 130 HG2 -0.0615 0.0394 -0.0635 2033 PRO 130 HG3 -0.0529 0.0278 -0.0794 2034 PRO 130 HD2 -0.0355 0.0192 -0.0631 2035 PRO 130 HD3 -0.0402 0.0287 -0.0440 2036 ASP 131 N -0.0443 0.0254 -0.0732 2037 ASP 131 CA -0.0420 0.0212 -0.0788 2038 ASP 131 C -0.0270 0.0083 -0.0675 2039 ASP 131 O -0.0248 0.0063 -0.0661 2040 ASP 131 CB -0.0431 0.0151 -0.1029 2041 ASP 131 CG -0.0582 0.0277 -0.1154 2042 ASP 131 OD1 -0.0602 0.0268 -0.1252 2043 ASP 131 OD2 -0.0695 0.0402 -0.1146 2044 ASP 131 H -0.0541 0.0333 -0.0823 2045 ASP 131 HA -0.0507 0.0320 -0.0742 2046 ASP 131 HB2 -0.0415 0.0122 -0.1066 2047 ASP 131 HB3 -0.0345 0.0043 -0.1073 2048 ASP 132 N -0.0202 0.0088 -0.0545 2049 ASP 132 CA -0.0118 0.0014 -0.0491 2050 ASP 132 C -0.0099 0.0046 -0.0372 2051 ASP 132 O -0.0047 0.0005 -0.0330 2052 ASP 132 CB -0.0066 -0.0055 -0.0513 2053 ASP 132 CG -0.0069 -0.0104 -0.0633 2054 ASP 132 OD1 -0.0088 -0.0110 -0.0694 2055 ASP 132 OD2 -0.0055 -0.0135 -0.0667 2056 ASP 132 H -0.0220 0.0105 -0.0552 2057 ASP 132 HA -0.0103 -0.0018 -0.0528 2058 ASP 132 HB2 -0.0005 -0.0103 -0.0464 2059 ASP 132 HB3 -0.0086 -0.0022 -0.0490 2060 TRP 133 N -0.0085 0.0099 -0.0249 2061 TRP 133 CA -0.0091 0.0113 -0.0190 2062 TRP 133 C -0.0129 0.0155 -0.0177 2063 TRP 133 O -0.0159 0.0183 -0.0207 2064 TRP 133 CB -0.0090 0.0114 -0.0168 2065 TRP 133 CG -0.0050 0.0072 -0.0168 2066 TRP 133 CD1 -0.0039 0.0056 -0.0205 2067 TRP 133 CD2 -0.0017 0.0043 -0.0130 2068 TRP 133 NE1 -0.0001 0.0018 -0.0191 2069 TRP 133 CE2 0.0013 0.0008 -0.0146 2070 TRP 133 CE3 -0.0011 0.0042 -0.0085 2071 TRP 133 CZ2 0.0050 -0.0027 -0.0117 2072 TRP 133 CZ3 0.0026 0.0007 -0.0056 2073 TRP 133 CH2 0.0055 -0.0026 -0.0072 2074 TRP 133 H -0.0101 0.0113 -0.0271 2075 TRP 133 HA -0.0069 0.0092 -0.0171 2076 TRP 133 HB2 -0.0098 0.0129 -0.0125 2077 TRP 133 HB3 -0.0111 0.0133 -0.0194 2078 TRP 133 HD1 -0.0058 0.0071 -0.0239 2079 TRP 133 HE1 0.0013 -0.0001 -0.0211 2080 TRP 133 HE3 -0.0033 0.0067 -0.0074 2081 TRP 133 HZ2 0.0073 -0.0053 -0.0129 2082 TRP 133 HZ3 0.0032 0.0005 -0.0021 2083 TRP 133 HH2 0.0082 -0.0052 -0.0047 2084 GLU 134 N -0.0066 0.0184 -0.0149 2085 GLU 134 CA -0.0088 0.0228 -0.0119 2086 GLU 134 C -0.0093 0.0239 -0.0071 2087 GLU 134 O -0.0080 0.0213 -0.0029 2088 GLU 134 CB -0.0087 0.0227 -0.0090 2089 GLU 134 CG -0.0112 0.0278 -0.0066 2090 GLU 134 CD -0.0116 0.0286 -0.0035 2091 GLU 134 OE1 -0.0101 0.0255 -0.0029 2092 GLU 134 OE2 -0.0137 0.0328 -0.0012 2093 GLU 134 H -0.0050 0.0152 -0.0127 2094 GLU 134 HA -0.0102 0.0257 -0.0152 2095 GLU 134 HB2 -0.0074 0.0200 -0.0056 2096 GLU 134 HB3 -0.0081 0.0215 -0.0120 2097 GLU 134 HG2 -0.0125 0.0304 -0.0102 2098 GLU 134 HG3 -0.0118 0.0289 -0.0038 2099 SER 135 N -0.0071 0.0222 -0.0068 2100 SER 135 CA -0.0085 0.0207 -0.0042 2101 SER 135 C -0.0117 0.0219 -0.0020 2102 SER 135 O -0.0131 0.0249 -0.0030 2103 SER 135 CB -0.0087 0.0221 -0.0051 2104 SER 135 OG -0.0104 0.0211 -0.0026 2105 SER 135 H -0.0065 0.0238 -0.0087 2106 SER 135 HA -0.0073 0.0181 -0.0033 2107 SER 135 HB2 -0.0098 0.0247 -0.0062 2108 SER 135 HB3 -0.0065 0.0212 -0.0066 2109 SER 135 HG -0.0092 0.0199 -0.0029 2110 VAL 136 N -0.0077 0.0210 0.0023 2111 VAL 136 CA -0.0095 0.0221 0.0052 2112 VAL 136 C -0.0106 0.0217 0.0076 2113 VAL 136 O -0.0118 0.0214 0.0104 2114 VAL 136 CB -0.0095 0.0203 0.0065 2115 VAL 136 CG1 -0.0081 0.0196 0.0040 2116 VAL 136 CG2 -0.0094 0.0170 0.0086 2117 VAL 136 H -0.0069 0.0187 0.0023 2118 VAL 136 HA -0.0102 0.0247 0.0046 2119 VAL 136 HB -0.0108 0.0219 0.0079 2120 VAL 136 HG11 -0.0082 0.0218 0.0026 2121 VAL 136 HG12 -0.0068 0.0179 0.0026 2122 VAL 136 HG13 -0.0082 0.0185 0.0052 2123 VAL 136 HG21 -0.0081 0.0154 0.0071 2124 VAL 136 HG22 -0.0105 0.0175 0.0104 2125 VAL 136 HG23 -0.0095 0.0159 0.0096 2126 PHE 137 N -0.0053 0.0173 0.0055 2127 PHE 137 CA -0.0059 0.0159 0.0056 2128 PHE 137 C -0.0044 0.0149 0.0045 2129 PHE 137 O -0.0032 0.0142 0.0037 2130 PHE 137 CB -0.0075 0.0144 0.0063 2131 PHE 137 CG -0.0079 0.0126 0.0061 2132 PHE 137 CD1 -0.0092 0.0126 0.0070 2133 PHE 137 CD2 -0.0069 0.0109 0.0052 2134 PHE 137 CE1 -0.0096 0.0109 0.0069 2135 PHE 137 CE2 -0.0072 0.0092 0.0051 2136 PHE 137 CZ -0.0086 0.0093 0.0059 2137 PHE 137 H -0.0039 0.0174 0.0047 2138 PHE 137 HA -0.0065 0.0169 0.0061 2139 PHE 137 HB2 -0.0072 0.0138 0.0060 2140 PHE 137 HB3 -0.0087 0.0152 0.0071 2141 PHE 137 HD1 -0.0100 0.0139 0.0077 2142 PHE 137 HD2 -0.0058 0.0109 0.0046 2143 PHE 137 HE1 -0.0106 0.0109 0.0075 2144 PHE 137 HE2 -0.0064 0.0079 0.0044 2145 PHE 137 HZ -0.0089 0.0080 0.0059 2146 SER 138 N -0.0041 0.0131 0.0049 2147 SER 138 CA -0.0029 0.0123 0.0042 2148 SER 138 C -0.0037 0.0114 0.0044 2149 SER 138 O -0.0049 0.0120 0.0050 2150 SER 138 CB -0.0017 0.0139 0.0039 2151 SER 138 OG -0.0003 0.0140 0.0033 2152 SER 138 H -0.0052 0.0134 0.0054 2153 SER 138 HA -0.0022 0.0113 0.0037 2154 SER 138 HB2 -0.0015 0.0138 0.0038 2155 SER 138 HB3 -0.0023 0.0151 0.0044 2156 SER 138 HG 0.0004 0.0150 0.0032 2157 GLU 139 N 0.0011 0.0058 0.0041 2158 GLU 139 CA 0.0007 0.0039 0.0031 2159 GLU 139 C 0.0023 0.0024 0.0031 2160 GLU 139 O 0.0026 0.0025 0.0033 2161 GLU 139 CB -0.0011 0.0035 0.0021 2162 GLU 139 CG -0.0024 0.0024 0.0010 2163 GLU 139 CD -0.0039 0.0017 0.0001 2164 GLU 139 OE1 -0.0036 0.0003 -0.0004 2165 GLU 139 OE2 -0.0055 0.0026 -0.0003 2166 GLU 139 H 0.0019 0.0059 0.0045 2167 GLU 139 HA 0.0005 0.0038 0.0030 2168 GLU 139 HB2 -0.0007 0.0028 0.0020 2169 GLU 139 HB3 -0.0020 0.0049 0.0024 2170 GLU 139 HG2 -0.0031 0.0032 0.0011 2171 GLU 139 HG3 -0.0015 0.0011 0.0009 2172 PHE 140 N 0.0072 -0.0025 0.0024 2173 PHE 140 CA 0.0094 -0.0045 0.0026 2174 PHE 140 C 0.0092 -0.0064 -0.0012 2175 PHE 140 O 0.0085 -0.0074 -0.0042 2176 PHE 140 CB 0.0129 -0.0064 0.0051 2177 PHE 140 CG 0.0153 -0.0088 0.0048 2178 PHE 140 CD1 0.0161 -0.0081 0.0075 2179 PHE 140 CD2 0.0166 -0.0117 0.0019 2180 PHE 140 CE1 0.0181 -0.0101 0.0072 2181 PHE 140 CE2 0.0187 -0.0138 0.0017 2182 PHE 140 CZ 0.0195 -0.0130 0.0044 2183 PHE 140 H 0.0078 -0.0035 0.0017 2184 PHE 140 HA 0.0087 -0.0030 0.0040 2185 PHE 140 HB2 0.0135 -0.0075 0.0040 2186 PHE 140 HB3 0.0130 -0.0049 0.0080 2187 PHE 140 HD1 0.0151 -0.0059 0.0098 2188 PHE 140 HD2 0.0161 -0.0123 -0.0001 2189 PHE 140 HE1 0.0185 -0.0094 0.0092 2190 PHE 140 HE2 0.0197 -0.0160 -0.0006 2191 PHE 140 HZ 0.0213 -0.0147 0.0044 2192 HIS 141 N 0.0123 -0.0054 0.0014 2193 HIS 141 CA 0.0122 -0.0067 -0.0019 2194 HIS 141 C 0.0138 -0.0076 -0.0021 2195 HIS 141 O 0.0133 -0.0068 -0.0008 2196 HIS 141 CB 0.0090 -0.0058 -0.0037 2197 HIS 141 CG 0.0069 -0.0048 -0.0038 2198 HIS 141 ND1 0.0067 -0.0056 -0.0060 2199 HIS 141 CD2 0.0049 -0.0031 -0.0019 2200 HIS 141 CE1 0.0047 -0.0044 -0.0055 2201 HIS 141 NE2 0.0037 -0.0030 -0.0031 2202 HIS 141 H 0.0128 -0.0050 0.0030 2203 HIS 141 HA 0.0132 -0.0076 -0.0029 2204 HIS 141 HB2 0.0091 -0.0069 -0.0061 2205 HIS 141 HB3 0.0079 -0.0049 -0.0027 2206 HIS 141 HD1 0.0080 -0.0070 -0.0079 2207 HIS 141 HD2 0.0044 -0.0021 0.0001 2208 HIS 141 HE2 0.0021 -0.0018 -0.0021 2209 HIS 141 HE1 0.0041 -0.0047 -0.0068 2210 ASP 142 N 0.0183 -0.0114 -0.0057 2211 ASP 142 CA 0.0192 -0.0127 -0.0050 2212 ASP 142 C 0.0176 -0.0102 -0.0071 2213 ASP 142 O 0.0167 -0.0085 -0.0104 2214 ASP 142 CB 0.0221 -0.0163 -0.0068 2215 ASP 142 CG 0.0236 -0.0187 -0.0035 2216 ASP 142 OD1 0.0238 -0.0195 -0.0001 2217 ASP 142 OD2 0.0244 -0.0197 -0.0041 2218 ASP 142 H 0.0193 -0.0122 -0.0083 2219 ASP 142 HA 0.0190 -0.0129 -0.0016 2220 ASP 142 HB2 0.0223 -0.0161 -0.0097 2221 ASP 142 HB3 0.0230 -0.0173 -0.0075 2222 ALA 143 N 0.0168 -0.0094 -0.0045 2223 ALA 143 CA 0.0152 -0.0057 -0.0059 2224 ALA 143 C 0.0176 -0.0048 -0.0099 2225 ALA 143 O 0.0204 -0.0075 -0.0111 2226 ALA 143 CB 0.0134 -0.0058 -0.0035 2227 ALA 143 H 0.0164 -0.0113 -0.0021 2228 ALA 143 HA 0.0134 -0.0034 -0.0058 2229 ALA 143 HB1 0.0116 -0.0063 -0.0006 2230 ALA 143 HB2 0.0150 -0.0080 -0.0034 2231 ALA 143 HB3 0.0122 -0.0031 -0.0046 2232 ASP 144 N 0.0193 0.0001 -0.0110 2233 ASP 144 CA 0.0228 0.0015 -0.0150 2234 ASP 144 C 0.0207 0.0059 -0.0170 2235 ASP 144 O 0.0171 0.0069 -0.0150 2236 ASP 144 CB 0.0260 0.0002 -0.0166 2237 ASP 144 CG 0.0246 0.0025 -0.0173 2238 ASP 144 OD1 0.0213 0.0059 -0.0175 2239 ASP 144 OD2 0.0269 0.0012 -0.0181 2240 ASP 144 H 0.0163 0.0021 -0.0103 2241 ASP 144 HA 0.0250 -0.0002 -0.0154 2242 ASP 144 HB2 0.0270 -0.0031 -0.0146 2243 ASP 144 HB3 0.0287 0.0008 -0.0192 2244 ALA 145 N 0.0298 0.0138 -0.0231 2245 ALA 145 CA 0.0267 0.0202 -0.0272 2246 ALA 145 C 0.0201 0.0214 -0.0261 2247 ALA 145 O 0.0143 0.0237 -0.0261 2248 ALA 145 CB 0.0328 0.0232 -0.0314 2249 ALA 145 H 0.0348 0.0124 -0.0236 2250 ALA 145 HA 0.0250 0.0219 -0.0279 2251 ALA 145 HB1 0.0372 0.0223 -0.0320 2252 ALA 145 HB2 0.0345 0.0216 -0.0307 2253 ALA 145 HB3 0.0310 0.0279 -0.0345 2254 GLN 146 N 0.0196 0.0157 -0.0211 2255 GLN 146 CA 0.0154 0.0168 -0.0199 2256 GLN 146 C 0.0102 0.0137 -0.0153 2257 GLN 146 O 0.0051 0.0160 -0.0147 2258 GLN 146 CB 0.0193 0.0146 -0.0201 2259 GLN 146 CG 0.0261 0.0145 -0.0232 2260 GLN 146 CD 0.0262 0.0206 -0.0277 2261 GLN 146 OE1 0.0235 0.0238 -0.0288 2262 GLN 146 NE2 0.0286 0.0218 -0.0297 2263 GLN 146 H 0.0238 0.0135 -0.0214 2264 GLN 146 HA 0.0132 0.0212 -0.0221 2265 GLN 146 HB2 0.0175 0.0174 -0.0213 2266 GLN 146 HB3 0.0188 0.0105 -0.0169 2267 GLN 146 HG2 0.0291 0.0120 -0.0228 2268 GLN 146 HG3 0.0276 0.0129 -0.0227 2269 GLN 146 HE21 0.0283 0.0258 -0.0324 2270 GLN 146 HE22 0.0307 0.0188 -0.0284 2271 ASN 147 N 0.0110 0.0080 -0.0119 2272 ASN 147 CA 0.0087 0.0059 -0.0085 2273 ASN 147 C 0.0083 0.0045 -0.0069 2274 ASN 147 O 0.0107 0.0018 -0.0055 2275 ASN 147 CB 0.0106 0.0032 -0.0068 2276 ASN 147 CG 0.0109 0.0048 -0.0086 2277 ASN 147 OD1 0.0085 0.0047 -0.0073 2278 ASN 147 ND2 0.0137 0.0062 -0.0115 2279 ASN 147 H 0.0140 0.0070 -0.0124 2280 ASN 147 HA 0.0056 0.0073 -0.0083 2281 ASN 147 HB2 0.0087 0.0017 -0.0043 2282 ASN 147 HB3 0.0136 0.0017 -0.0069 2283 ASN 147 HD21 0.0156 0.0061 -0.0124 2284 ASN 147 HD22 0.0140 0.0074 -0.0128 2285 SER 148 N 0.0067 0.0071 -0.0055 2286 SER 148 CA 0.0056 0.0060 -0.0036 2287 SER 148 C 0.0056 0.0027 -0.0008 2288 SER 148 O 0.0054 0.0013 0.0006 2289 SER 148 CB 0.0028 0.0088 -0.0032 2290 SER 148 OG 0.0001 0.0085 -0.0004 2291 SER 148 H 0.0054 0.0095 -0.0063 2292 SER 148 HA 0.0074 0.0054 -0.0047 2293 SER 148 HB2 0.0023 0.0109 -0.0045 2294 SER 148 HB3 0.0034 0.0093 -0.0042 2295 SER 148 HG -0.0005 0.0081 0.0005 2296 HIS 149 N 0.0055 0.0012 0.0006 2297 HIS 149 CA 0.0053 -0.0014 0.0025 2298 HIS 149 C 0.0072 -0.0029 0.0015 2299 HIS 149 O 0.0081 -0.0015 -0.0004 2300 HIS 149 CB 0.0031 -0.0011 0.0048 2301 HIS 149 CG 0.0009 0.0008 0.0060 2302 HIS 149 ND1 -0.0004 0.0035 0.0056 2303 HIS 149 CD2 -0.0003 0.0002 0.0077 2304 HIS 149 CE1 -0.0022 0.0046 0.0069 2305 HIS 149 NE2 -0.0023 0.0027 0.0082 2306 HIS 149 H 0.0059 0.0024 -0.0006 2307 HIS 149 HA 0.0055 -0.0025 0.0031 2308 HIS 149 HB2 0.0031 -0.0033 0.0062 2309 HIS 149 HB3 0.0031 -0.0004 0.0043 2310 HIS 149 HD2 0.0002 -0.0018 0.0085 2311 HIS 149 HE2 -0.0035 0.0030 0.0094 2312 HIS 149 HE1 -0.0035 0.0068 0.0068 2313 SER 150 N 0.0090 -0.0047 0.0020 2314 SER 150 CA 0.0102 -0.0058 0.0023 2315 SER 150 C 0.0078 -0.0048 0.0046 2316 SER 150 O 0.0060 -0.0041 0.0064 2317 SER 150 CB 0.0123 -0.0085 0.0039 2318 SER 150 OG 0.0116 -0.0090 0.0064 2319 SER 150 H 0.0092 -0.0055 0.0035 2320 SER 150 HA 0.0110 -0.0054 -0.0000 2321 SER 150 HB2 0.0142 -0.0093 0.0022 2322 SER 150 HB3 0.0126 -0.0092 0.0048 2323 SER 150 HG 0.0100 -0.0083 0.0078 2324 TYR 151 N 0.0074 -0.0035 0.0040 2325 TYR 151 CA 0.0061 -0.0030 0.0051 2326 TYR 151 C 0.0071 -0.0039 0.0054 2327 TYR 151 O 0.0085 -0.0044 0.0042 2328 TYR 151 CB 0.0047 -0.0015 0.0038 2329 TYR 151 CG 0.0057 -0.0012 0.0016 2330 TYR 151 CD1 0.0061 -0.0008 0.0000 2331 TYR 151 CD2 0.0060 -0.0012 0.0011 2332 TYR 151 CE1 0.0068 -0.0004 -0.0020 2333 TYR 151 CE2 0.0068 -0.0008 -0.0010 2334 TYR 151 CZ 0.0073 -0.0005 -0.0025 2335 TYR 151 OH 0.0081 -0.0002 -0.0045 2336 TYR 151 H 0.0087 -0.0041 0.0033 2337 TYR 151 HA 0.0053 -0.0032 0.0066 2338 TYR 151 HB2 0.0038 -0.0008 0.0037 2339 TYR 151 HB3 0.0039 -0.0012 0.0045 2340 TYR 151 HD1 0.0057 -0.0007 0.0004 2341 TYR 151 HD2 0.0057 -0.0014 0.0022 2342 TYR 151 HE1 0.0071 -0.0001 -0.0032 2343 TYR 151 HE2 0.0071 -0.0008 -0.0014 2344 TYR 151 HH 0.0084 0.0000 -0.0054 2345 CYS 152 N 0.0045 -0.0012 0.0050 2346 CYS 152 CA 0.0039 -0.0004 0.0055 2347 CYS 152 C 0.0023 0.0010 0.0057 2348 CYS 152 O 0.0022 0.0019 0.0067 2349 CYS 152 CB 0.0052 -0.0001 0.0070 2350 CYS 152 SG 0.0053 -0.0000 0.0072 2351 CYS 152 H 0.0046 -0.0007 0.0057 2352 CYS 152 HA 0.0038 -0.0009 0.0046 2353 CYS 152 HB2 0.0049 0.0009 0.0080 2354 CYS 152 HB3 0.0064 -0.0009 0.0071 2355 CYS 152 HG 0.0065 0.0003 0.0086 2356 PHE 153 N 0.0019 0.0025 0.0037 2357 PHE 153 CA 0.0012 0.0032 0.0038 2358 PHE 153 C 0.0012 0.0037 0.0044 2359 PHE 153 O 0.0016 0.0034 0.0044 2360 PHE 153 CB 0.0005 0.0031 0.0030 2361 PHE 153 CG 0.0004 0.0026 0.0024 2362 PHE 153 CD1 0.0004 0.0027 0.0024 2363 PHE 153 CD2 0.0002 0.0022 0.0017 2364 PHE 153 CE1 0.0002 0.0022 0.0017 2365 PHE 153 CE2 0.0001 0.0017 0.0010 2366 PHE 153 CZ 0.0001 0.0017 0.0011 2367 PHE 153 H 0.0019 0.0021 0.0033 2368 PHE 153 HA 0.0010 0.0034 0.0039 2369 PHE 153 HB2 0.0000 0.0036 0.0031 2370 PHE 153 HB3 0.0007 0.0029 0.0030 2371 PHE 153 HD1 0.0004 0.0030 0.0029 2372 PHE 153 HD2 0.0002 0.0022 0.0017 2373 PHE 153 HE1 0.0002 0.0022 0.0017 2374 PHE 153 HE2 -0.0000 0.0014 0.0005 2375 PHE 153 HZ -0.0000 0.0014 0.0006 2376 GLU 154 N -0.0034 0.0072 0.0050 2377 GLU 154 CA -0.0035 0.0085 0.0041 2378 GLU 154 C -0.0031 0.0079 0.0042 2379 GLU 154 O -0.0022 0.0065 0.0044 2380 GLU 154 CB -0.0025 0.0092 0.0026 2381 GLU 154 CG -0.0027 0.0106 0.0017 2382 GLU 154 CD -0.0018 0.0114 0.0002 2383 GLU 154 OE1 -0.0021 0.0128 -0.0005 2384 GLU 154 OE2 -0.0008 0.0106 -0.0002 2385 GLU 154 H -0.0025 0.0062 0.0049 2386 GLU 154 HA -0.0046 0.0094 0.0045 2387 GLU 154 HB2 -0.0015 0.0083 0.0022 2388 GLU 154 HB3 -0.0027 0.0096 0.0025 2389 GLU 154 HG2 -0.0038 0.0115 0.0021 2390 GLU 154 HG3 -0.0024 0.0102 0.0017 2391 ILE 155 N -0.0038 0.0103 0.0039 2392 ILE 155 CA -0.0034 0.0093 0.0041 2393 ILE 155 C -0.0033 0.0100 0.0031 2394 ILE 155 O -0.0039 0.0113 0.0031 2395 ILE 155 CB -0.0039 0.0089 0.0058 2396 ILE 155 CG1 -0.0038 0.0080 0.0068 2397 ILE 155 CG2 -0.0035 0.0080 0.0060 2398 ILE 155 CD1 -0.0046 0.0083 0.0086 2399 ILE 155 H -0.0042 0.0114 0.0038 2400 ILE 155 HA -0.0029 0.0082 0.0038 2401 ILE 155 HB -0.0045 0.0100 0.0063 2402 ILE 155 HG12 -0.0039 0.0084 0.0064 2403 ILE 155 HG13 -0.0033 0.0068 0.0067 2404 ILE 155 HG21 -0.0036 0.0087 0.0053 2405 ILE 155 HG22 -0.0029 0.0069 0.0055 2406 ILE 155 HG23 -0.0039 0.0078 0.0072 2407 ILE 155 HD11 -0.0051 0.0095 0.0087 2408 ILE 155 HD12 -0.0045 0.0079 0.0090 2409 ILE 155 HD13 -0.0046 0.0077 0.0093 2410 LEU 156 N -0.0044 0.0104 0.0017 2411 LEU 156 CA -0.0041 0.0102 -0.0009 2412 LEU 156 C -0.0024 0.0084 -0.0010 2413 LEU 156 O -0.0010 0.0067 -0.0002 2414 LEU 156 CB -0.0040 0.0102 -0.0030 2415 LEU 156 CG -0.0055 0.0118 -0.0026 2416 LEU 156 CD1 -0.0055 0.0117 0.0003 2417 LEU 156 CD2 -0.0049 0.0113 -0.0043 2418 LEU 156 H -0.0033 0.0092 0.0024 2419 LEU 156 HA -0.0052 0.0115 -0.0013 2420 LEU 156 HB2 -0.0042 0.0105 -0.0050 2421 LEU 156 HB3 -0.0027 0.0087 -0.0029 2422 LEU 156 HG -0.0067 0.0133 -0.0030 2423 LEU 156 HD11 -0.0058 0.0120 0.0017 2424 LEU 156 HD12 -0.0042 0.0102 0.0007 2425 LEU 156 HD13 -0.0065 0.0129 0.0005 2426 LEU 156 HD21 -0.0036 0.0098 -0.0037 2427 LEU 156 HD22 -0.0048 0.0113 -0.0064 2428 LEU 156 HD23 -0.0059 0.0124 -0.0041 2429 GLU 157 N -0.0026 0.0092 -0.0021 2430 GLU 157 CA -0.0009 0.0066 -0.0023 2431 GLU 157 C -0.0005 0.0057 -0.0065 2432 GLU 157 O -0.0021 0.0080 -0.0087 2433 GLU 157 CB -0.0013 0.0073 0.0003 2434 GLU 157 CG -0.0011 0.0073 0.0048 2435 GLU 157 CD -0.0011 0.0074 0.0074 2436 GLU 157 OE1 -0.0008 0.0069 0.0060 2437 GLU 157 OE2 -0.0014 0.0081 0.0109 2438 GLU 157 H -0.0041 0.0115 -0.0030 2439 GLU 157 HA 0.0006 0.0043 -0.0012 2440 GLU 157 HB2 -0.0001 0.0054 -0.0003 2441 GLU 157 HB3 -0.0029 0.0097 -0.0004 2442 GLU 157 HG2 -0.0025 0.0095 0.0055 2443 GLU 157 HG3 0.0004 0.0050 0.0054 2444 ARG 158 N 0.0012 0.0001 -0.0081 2445 ARG 158 CA 0.0007 -0.0029 -0.0132 2446 ARG 158 C 0.0004 -0.0045 -0.0160 2447 ARG 158 O 0.0039 -0.0061 -0.0145 2448 ARG 158 CB 0.0048 -0.0061 -0.0135 2449 ARG 158 CG 0.0055 -0.0098 -0.0183 2450 ARG 158 CD 0.0037 -0.0098 -0.0204 2451 ARG 158 NE 0.0067 -0.0103 -0.0177 2452 ARG 158 CZ 0.0055 -0.0102 -0.0191 2453 ARG 158 NH1 0.0017 -0.0099 -0.0228 2454 ARG 158 NH2 0.0081 -0.0104 -0.0163 2455 ARG 158 H 0.0039 -0.0001 -0.0053 2456 ARG 158 HA -0.0024 -0.0016 -0.0149 2457 ARG 158 HB2 0.0080 -0.0070 -0.0112 2458 ARG 158 HB3 0.0045 -0.0048 -0.0118 2459 ARG 158 HG2 0.0037 -0.0102 -0.0210 2460 ARG 158 HG3 0.0093 -0.0123 -0.0178 2461 ARG 158 HD2 0.0002 -0.0071 -0.0202 2462 ARG 158 HD3 0.0036 -0.0123 -0.0242 2463 ARG 158 HE 0.0097 -0.0106 -0.0148 2464 ARG 158 HH11 -0.0004 -0.0098 -0.0250 2465 ARG 158 HH12 0.0010 -0.0098 -0.0235 2466 ARG 158 HH21 0.0072 -0.0103 -0.0171 2467 ARG 158 HH22 0.0110 -0.0106 -0.0133 2468 ARG 159 N -0.0013 -0.0034 -0.0231 2469 ARG 159 CA -0.0019 -0.0023 -0.0234 2470 ARG 159 C 0.0002 -0.0102 -0.0263 2471 ARG 159 O -0.0017 -0.0130 -0.0340 2472 ARG 159 CB -0.0068 0.0045 -0.0288 2473 ARG 159 CG -0.0073 0.0086 -0.0258 2474 ARG 159 CD -0.0119 0.0139 -0.0318 2475 ARG 159 NE -0.0153 0.0193 -0.0348 2476 ARG 159 CZ -0.0177 0.0276 -0.0323 2477 ARG 159 NH1 -0.0164 0.0311 -0.0254 2478 ARG 159 NH2 -0.0217 0.0324 -0.0373 2479 ARG 159 OXT 0.0036 -0.0132 -0.0209 2480 ARG 159 H -0.0040 -0.0012 -0.0275 2481 ARG 159 HA -0.0002 -0.0003 -0.0169 2482 ARG 159 HB2 -0.0083 0.0017 -0.0353 2483 ARG 159 HB3 -0.0086 0.0093 -0.0283 2484 ARG 159 HG2 -0.0065 0.0125 -0.0198 2485 ARG 159 HG3 -0.0050 0.0036 -0.0251 2486 ARG 159 HD2 -0.0122 0.0177 -0.0287 2487 ARG 159 HD3 -0.0124 0.0098 -0.0372 2488 ARG 159 HE -0.0159 0.0168 -0.0388 2489 ARG 159 HH11 -0.0185 0.0374 -0.0240 2490 ARG 159 HH12 -0.0135 0.0275 -0.0217 2491 ARG 159 HH21 -0.0227 0.0297 -0.0425 2492 ARG 159 HH22 -0.0237 0.0387 -0.0358