NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596336 | 2n1o | 25569 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 7 HT1 LEU 7 6.637 11.257 -1.244 2 H2 LEU 7 HT2 LEU 7 7.719 10.387 -2.217 3 H3 LEU 7 HT3 LEU 7 8.304 11.375 -0.968 4 HA LEU 7 HA LEU 7 7.223 9.970 0.672 5 HB2 LEU 7 HB2 LEU 7 6.551 8.335 -1.775 6 HB3 LEU 7 HB1 LEU 7 6.534 7.673 -0.155 7 HG LEU 7 HG LEU 7 4.302 8.143 -0.574 8 HD11 LEU 7 HD11 LEU 7 5.369 10.586 0.827 9 HD12 LEU 7 HD12 LEU 7 4.978 9.036 1.573 10 HD13 LEU 7 HD13 LEU 7 3.698 10.023 0.866 11 HD21 LEU 7 HD21 LEU 7 3.473 10.212 -1.572 12 HD22 LEU 7 HD22 LEU 7 4.589 9.369 -2.646 13 HD23 LEU 7 HD23 LEU 7 5.130 10.788 -1.751 14 HA PRO 8 HA PRO 8 11.373 8.450 1.070 15 HB2 PRO 8 HB2 PRO 8 9.952 6.416 2.744 16 HB3 PRO 8 HB1 PRO 8 11.394 7.369 3.116 17 HG2 PRO 8 HG2 PRO 8 9.052 8.033 4.164 18 HG3 PRO 8 HG1 PRO 8 10.167 9.286 3.585 19 HD2 PRO 8 HD2 PRO 8 7.660 8.258 2.345 20 HD3 PRO 8 HD1 PRO 8 8.343 9.896 2.325 21 HA PRO 9 HA PRO 9 11.957 5.268 -1.946 22 HB2 PRO 9 HB2 PRO 9 13.921 4.206 0.036 23 HB3 PRO 9 HB1 PRO 9 14.121 4.522 -1.692 24 HG2 PRO 9 HG2 PRO 9 15.112 6.201 0.119 25 HG3 PRO 9 HG1 PRO 9 14.386 6.800 -1.384 26 HD2 PRO 9 HD2 PRO 9 13.309 6.840 1.389 27 HD3 PRO 9 HD1 PRO 9 13.053 7.986 0.059 28 H GLY 10 HN GLY 10 11.460 4.384 1.418 29 HA2 GLY 10 HA2 GLY 10 11.111 1.602 1.033 30 HA3 GLY 10 HA1 GLY 10 10.565 2.527 2.422 31 H TRP 11 HN TRP 11 9.065 4.206 0.208 32 HA TRP 11 HA TRP 11 6.625 2.622 0.394 33 HB2 TRP 11 HB2 TRP 11 7.207 5.481 -0.340 34 HB3 TRP 11 HB1 TRP 11 5.666 4.754 -0.770 35 HD1 TRP 11 HD1 TRP 11 7.497 6.312 2.125 36 HE1 TRP 11 HE1 TRP 11 5.960 6.379 4.194 37 HE3 TRP 11 HE3 TRP 11 3.725 3.329 0.413 38 HZ2 TRP 11 HZ2 TRP 11 3.484 5.306 4.981 39 HZ3 TRP 11 HZ3 TRP 11 1.805 2.901 1.890 40 HH2 TRP 11 HH2 TRP 11 1.688 3.868 4.122 41 H GLU 12 HN GLU 12 6.398 1.129 -1.109 42 HA GLU 12 HA GLU 12 7.151 1.723 -3.893 43 HB2 GLU 12 HB2 GLU 12 6.424 -0.929 -2.619 44 HB3 GLU 12 HB1 GLU 12 6.976 -0.688 -4.269 45 HG2 GLU 12 HG2 GLU 12 9.140 0.085 -3.440 46 HG3 GLU 12 HG1 GLU 12 8.593 -0.185 -1.784 47 H LYS 13 HN LYS 13 5.639 1.443 -5.553 48 HA LYS 13 HA LYS 13 2.881 1.235 -4.637 49 HB2 LYS 13 HB2 LYS 13 4.050 2.195 -7.234 50 HB3 LYS 13 HB1 LYS 13 2.323 1.933 -7.002 51 HG2 LYS 13 HG2 LYS 13 2.623 3.442 -4.933 52 HG3 LYS 13 HG1 LYS 13 4.126 3.927 -5.709 53 HD2 LYS 13 HD2 LYS 13 2.174 5.406 -6.162 54 HD3 LYS 13 HD1 LYS 13 2.975 4.781 -7.605 55 HE2 LYS 13 HE2 LYS 13 0.698 3.216 -6.525 56 HE3 LYS 13 HE1 LYS 13 0.316 4.767 -7.274 57 HZ1 LYS 13 HZ1 LYS 13 1.791 2.518 -8.552 58 HZ2 LYS 13 HZ2 LYS 13 1.529 4.034 -9.261 59 HZ3 LYS 13 HZ3 LYS 13 0.216 3.026 -8.913 60 H ARG 14 HN ARG 14 1.938 -0.575 -4.661 61 HA ARG 14 HA ARG 14 2.965 -2.754 -6.342 62 HB2 ARG 14 HB2 ARG 14 3.909 -2.890 -4.089 63 HB3 ARG 14 HB1 ARG 14 2.308 -2.812 -3.382 64 HG2 ARG 14 HG2 ARG 14 1.764 -4.979 -4.177 65 HG3 ARG 14 HG1 ARG 14 3.186 -5.022 -5.223 66 HD2 ARG 14 HD2 ARG 14 3.168 -5.010 -2.206 67 HD3 ARG 14 HD1 ARG 14 3.571 -6.373 -3.251 68 HE ARG 14 HE ARG 14 5.205 -4.034 -3.687 69 HH11 ARG 14 HH11 ARG 14 4.866 -7.044 -1.919 70 HH12 ARG 14 HH12 ARG 14 6.547 -7.121 -1.486 71 HH21 ARG 14 HH21 ARG 14 7.424 -4.138 -3.112 72 HH22 ARG 14 HH22 ARG 14 7.994 -5.472 -2.149 73 H MET 15 HN MET 15 1.370 -4.443 -6.792 74 HA MET 15 HA MET 15 -1.244 -3.185 -7.078 75 HB2 MET 15 HB2 MET 15 -0.106 -5.724 -8.262 76 HB3 MET 15 HB1 MET 15 -1.718 -5.108 -8.595 77 HG2 MET 15 HG2 MET 15 -0.731 -3.072 -9.540 78 HG3 MET 15 HG1 MET 15 0.877 -3.728 -9.239 79 HE1 MET 15 HE1 MET 15 0.547 -3.939 -13.141 80 HE2 MET 15 HE2 MET 15 1.518 -3.345 -11.794 81 HE3 MET 15 HE3 MET 15 -0.088 -2.678 -12.083 82 H SER 16 HN SER 16 -2.912 -3.640 -5.907 83 HA SER 16 HA SER 16 -2.728 -5.675 -3.847 84 HB2 SER 16 HB2 SER 16 -4.817 -4.541 -3.001 85 HB3 SER 16 HB1 SER 16 -3.390 -3.507 -3.084 86 HG SER 16 HG SER 16 -4.194 -2.528 -4.882 87 H ARG 17 HN ARG 17 -4.447 -7.065 -3.376 88 HA ARG 17 HA ARG 17 -4.876 -8.673 -5.648 89 HB2 ARG 17 HB2 ARG 17 -4.294 -9.473 -3.375 90 HB3 ARG 17 HB1 ARG 17 -5.886 -8.984 -2.824 91 HG2 ARG 17 HG2 ARG 17 -6.921 -10.567 -4.345 92 HG3 ARG 17 HG1 ARG 17 -5.329 -11.081 -4.906 93 HD2 ARG 17 HD2 ARG 17 -4.773 -11.820 -2.650 94 HD3 ARG 17 HD1 ARG 17 -6.351 -11.279 -2.078 95 HE ARG 17 HE ARG 17 -6.223 -13.301 -4.200 96 HH11 ARG 17 HH11 ARG 17 -7.034 -12.390 -0.908 97 HH12 ARG 17 HH12 ARG 17 -7.906 -13.867 -0.585 98 HH21 ARG 17 HH21 ARG 17 -7.330 -15.251 -3.753 99 HH22 ARG 17 HH22 ARG 17 -8.033 -15.507 -2.186 100 H SER 18 HN SER 18 -7.227 -7.184 -3.382 101 HA SER 18 HA SER 18 -9.399 -8.543 -4.590 102 HB2 SER 18 HB2 SER 18 -10.742 -6.958 -3.072 103 HB3 SER 18 HB1 SER 18 -9.627 -8.088 -2.303 104 HG SER 18 HG SER 18 -9.482 -5.888 -1.522 105 H SER 19 HN SER 19 -8.554 -5.070 -4.575 106 HA SER 19 HA SER 19 -10.705 -4.574 -6.467 107 HB2 SER 19 HB2 SER 19 -10.400 -3.040 -4.570 108 HB3 SER 19 HB1 SER 19 -8.775 -2.658 -5.132 109 HG SER 19 HG SER 19 -11.269 -1.963 -6.265 110 H GLY 20 HN GLY 20 -7.482 -5.456 -6.700 111 HA2 GLY 20 HA2 GLY 20 -5.881 -5.289 -8.355 112 HA3 GLY 20 HA1 GLY 20 -7.203 -4.889 -9.451 113 H ARG 21 HN ARG 21 -5.471 -3.421 -6.734 114 HA ARG 21 HA ARG 21 -5.783 -0.790 -8.079 115 HB2 ARG 21 HB2 ARG 21 -7.325 -1.242 -6.118 116 HB3 ARG 21 HB1 ARG 21 -5.896 -1.307 -5.100 117 HG2 ARG 21 HG2 ARG 21 -6.861 0.851 -4.871 118 HG3 ARG 21 HG1 ARG 21 -5.378 1.029 -5.812 119 HD2 ARG 21 HD2 ARG 21 -7.332 2.326 -6.682 120 HD3 ARG 21 HD1 ARG 21 -6.598 1.224 -7.846 121 HE ARG 21 HE ARG 21 -8.667 -0.150 -6.585 122 HH11 ARG 21 HH11 ARG 21 -8.292 2.644 -8.652 123 HH12 ARG 21 HH12 ARG 21 -9.826 2.430 -9.434 124 HH21 ARG 21 HH21 ARG 21 -10.659 -0.464 -7.614 125 HH22 ARG 21 HH22 ARG 21 -11.174 0.629 -8.863 126 H VAL 22 HN VAL 22 -4.065 0.730 -7.753 127 HA VAL 22 HA VAL 22 -1.567 -0.554 -6.989 128 HB VAL 22 HB VAL 22 -0.548 1.684 -7.688 129 HG11 VAL 22 HG11 VAL 22 -2.075 0.057 -9.723 130 HG12 VAL 22 HG12 VAL 22 -0.473 -0.310 -9.083 131 HG13 VAL 22 HG13 VAL 22 -0.718 1.128 -10.073 132 HG21 VAL 22 HG21 VAL 22 -3.327 2.083 -8.801 133 HG22 VAL 22 HG22 VAL 22 -1.917 3.073 -9.178 134 HG23 VAL 22 HG23 VAL 22 -2.565 3.048 -7.538 135 H TYR 23 HN TYR 23 -1.489 -0.739 -4.852 136 HA TYR 23 HA TYR 23 -2.119 1.589 -3.193 137 HB2 TYR 23 HB2 TYR 23 -2.478 0.131 -1.375 138 HB3 TYR 23 HB1 TYR 23 -3.198 -0.689 -2.751 139 HD1 TYR 23 HD2 TYR 23 -1.811 -2.537 -3.872 140 HD2 TYR 23 HD1 TYR 23 -0.900 -0.950 -0.039 141 HE1 TYR 23 HE2 TYR 23 -0.489 -4.547 -3.361 142 HE2 TYR 23 HE1 TYR 23 0.419 -2.963 0.486 143 HH TYR 23 HH TYR 23 0.550 -5.326 -0.249 144 H TYR 24 HN TYR 24 -0.704 2.250 -1.559 145 HA TYR 24 HA TYR 24 2.078 1.968 -2.328 146 HB2 TYR 24 HB2 TYR 24 0.716 3.779 -0.334 147 HB3 TYR 24 HB1 TYR 24 2.434 3.817 -0.706 148 HD1 TYR 24 HD1 TYR 24 -0.919 4.222 -2.292 149 HD2 TYR 24 HD2 TYR 24 3.225 5.173 -2.431 150 HE1 TYR 24 HE1 TYR 24 -1.360 5.857 -4.073 151 HE2 TYR 24 HE2 TYR 24 2.796 6.810 -4.212 152 HH TYR 24 HH TYR 24 1.163 7.328 -5.896 153 H PHE 25 HN PHE 25 3.230 0.383 -1.396 154 HA PHE 25 HA PHE 25 2.602 -0.366 1.383 155 HB2 PHE 25 HB2 PHE 25 2.322 -2.313 0.047 156 HB3 PHE 25 HB1 PHE 25 3.777 -1.975 -0.887 157 HD1 PHE 25 HD2 PHE 25 2.516 -3.173 2.383 158 HD2 PHE 25 HD1 PHE 25 5.912 -2.601 -0.124 159 HE1 PHE 25 HE2 PHE 25 3.893 -4.492 3.937 160 HE2 PHE 25 HE1 PHE 25 7.277 -3.921 1.420 161 HZ PHE 25 HZ PHE 25 6.288 -4.844 3.454 162 H ASN 26 HN ASN 26 4.079 0.057 2.898 163 HA ASN 26 HA ASN 26 6.831 0.652 2.016 164 HB2 ASN 26 HB2 ASN 26 5.770 2.715 2.653 165 HB3 ASN 26 HB1 ASN 26 5.175 2.003 4.147 166 HD21 ASN 26 HD21 ASN 26 6.173 3.752 5.219 167 HD22 ASN 26 HD22 ASN 26 7.870 3.736 5.543 168 H HIS 27 HN HIS 27 8.351 -0.608 2.906 169 HA HIS 27 HA HIS 27 7.504 -2.324 5.118 170 HB2 HIS 27 HB2 HIS 27 9.822 -3.473 4.484 171 HB3 HIS 27 HB1 HIS 27 8.320 -3.845 3.654 172 HD1 HIS 27 HD1 HIS 27 11.611 -2.086 3.160 173 HD2 HIS 27 HD2 HIS 27 8.200 -3.133 1.024 174 HE1 HIS 27 HE1 HIS 27 12.156 -1.613 0.746 175 HE2 HIS 27 HE2 HIS 27 10.113 -2.342 -0.551 176 H ILE 28 HN ILE 28 9.247 0.517 4.804 177 HA ILE 28 HA ILE 28 11.125 -0.126 6.907 178 HB ILE 28 HB ILE 28 11.836 2.149 6.924 179 HG12 ILE 28 HG12 ILE 28 9.534 2.873 5.085 180 HG13 ILE 28 HG11 ILE 28 9.557 3.194 6.819 181 HG21 ILE 28 HG21 ILE 28 11.232 1.299 4.098 182 HG22 ILE 28 HG22 ILE 28 12.632 0.832 5.063 183 HG23 ILE 28 HG23 ILE 28 12.422 2.512 4.569 184 HD11 ILE 28 HD11 ILE 28 10.148 5.168 5.541 185 HD12 ILE 28 HD12 ILE 28 11.486 4.297 4.790 186 HD13 ILE 28 HD13 ILE 28 11.509 4.626 6.523 187 H THR 29 HN THR 29 8.071 1.630 6.626 188 HA THR 29 HA THR 29 7.759 1.703 9.512 189 HB THR 29 HB THR 29 5.722 2.469 7.414 190 HG1 THR 29 HG1 THR 29 7.471 4.311 8.681 191 HG21 THR 29 HG21 THR 29 4.868 3.953 9.170 192 HG22 THR 29 HG22 THR 29 6.114 3.371 10.274 193 HG23 THR 29 HG23 THR 29 4.858 2.272 9.704 194 H ASN 30 HN ASN 30 7.096 -0.391 6.918 195 HA ASN 30 HA ASN 30 5.989 -2.370 6.667 196 HB2 ASN 30 HB2 ASN 30 6.943 -2.749 9.022 197 HB3 ASN 30 HB1 ASN 30 5.359 -2.287 9.632 198 HD21 ASN 30 HD21 ASN 30 3.675 -3.725 9.492 199 HD22 ASN 30 HD22 ASN 30 3.862 -5.353 8.941 200 H ALA 31 HN ALA 31 4.712 0.370 6.784 201 HA ALA 31 HA ALA 31 1.949 -0.255 7.470 202 HB1 ALA 31 HB1 ALA 31 2.882 1.874 8.245 203 HB2 ALA 31 HB2 ALA 31 1.530 2.123 7.139 204 HB3 ALA 31 HB3 ALA 31 3.186 2.347 6.572 205 H SER 32 HN SER 32 0.246 -0.023 5.970 206 HA SER 32 HA SER 32 1.042 0.025 3.148 207 HB2 SER 32 HB2 SER 32 0.710 -2.329 3.972 208 HB3 SER 32 HB1 SER 32 -0.970 -1.911 4.317 209 HG SER 32 HG SER 32 0.195 -1.551 1.768 210 H GLN 33 HN GLN 33 -0.150 1.387 1.974 211 HA GLN 33 HA GLN 33 -2.750 2.267 3.030 212 HB2 GLN 33 HB2 GLN 33 -0.449 3.981 2.098 213 HB3 GLN 33 HB1 GLN 33 -2.098 4.590 2.252 214 HG2 GLN 33 HG2 GLN 33 -2.040 3.889 4.660 215 HG3 GLN 33 HG1 GLN 33 -0.324 3.553 4.447 216 HE21 GLN 33 HE21 GLN 33 -2.766 6.033 4.554 217 HE22 GLN 33 HE22 GLN 33 -1.684 7.367 4.763 218 H TRP 34 HN TRP 34 -4.162 1.590 1.511 219 HA TRP 34 HA TRP 34 -3.699 1.659 -1.300 220 HB2 TRP 34 HB2 TRP 34 -6.243 1.691 0.324 221 HB3 TRP 34 HB1 TRP 34 -6.230 1.604 -1.425 222 HD1 TRP 34 HD1 TRP 34 -4.203 -0.400 1.196 223 HE1 TRP 34 HE1 TRP 34 -4.620 -2.891 0.760 224 HE3 TRP 34 HE3 TRP 34 -7.478 -0.036 -2.709 225 HZ2 TRP 34 HZ2 TRP 34 -6.118 -4.485 -0.953 226 HZ3 TRP 34 HZ3 TRP 34 -8.363 -2.112 -3.690 227 HH2 TRP 34 HH2 TRP 34 -7.690 -4.301 -2.831 228 H GLU 35 HN GLU 35 -5.048 3.793 1.072 229 HA GLU 35 HA GLU 35 -5.694 5.875 -0.794 230 HB2 GLU 35 HB2 GLU 35 -6.632 6.968 1.052 231 HB3 GLU 35 HB1 GLU 35 -6.831 5.250 1.483 232 HG2 GLU 35 HG2 GLU 35 -5.320 5.378 3.171 233 HG3 GLU 35 HG1 GLU 35 -4.354 6.629 2.391 234 H ARG 36 HN ARG 36 -4.580 8.072 -0.563 235 HA ARG 36 HA ARG 36 -1.851 7.489 -1.123 236 HB2 ARG 36 HB2 ARG 36 -3.251 9.173 -2.336 237 HB3 ARG 36 HB1 ARG 36 -3.127 10.219 -0.928 238 HG2 ARG 36 HG2 ARG 36 -0.790 10.469 -1.211 239 HG3 ARG 36 HG1 ARG 36 -0.731 9.177 -2.410 240 HD2 ARG 36 HD2 ARG 36 -0.585 11.252 -3.575 241 HD3 ARG 36 HD1 ARG 36 -2.183 10.577 -3.879 242 HE ARG 36 HE ARG 36 -2.363 12.307 -1.672 243 HH11 ARG 36 HH11 ARG 36 -1.836 12.414 -5.135 244 HH12 ARG 36 HH12 ARG 36 -2.422 14.040 -5.310 245 HH21 ARG 36 HH21 ARG 36 -3.121 14.441 -1.884 246 HH22 ARG 36 HH22 ARG 36 -3.136 15.208 -3.445 247 HA PRO 37 HA PRO 37 -0.146 7.726 2.928 248 HB2 PRO 37 HB2 PRO 37 2.437 8.371 2.072 249 HB3 PRO 37 HB1 PRO 37 1.801 6.740 2.288 250 HG2 PRO 37 HG2 PRO 37 2.115 8.346 -0.190 251 HG3 PRO 37 HG1 PRO 37 2.226 6.593 0.040 252 HD2 PRO 37 HD2 PRO 37 0.095 7.768 -1.119 253 HD3 PRO 37 HD1 PRO 37 -0.059 6.304 -0.131 254 H SER 38 HN SER 38 0.318 10.328 0.623 255 HA SER 38 HA SER 38 1.307 12.121 2.684 256 HB2 SER 38 HB2 SER 38 1.365 13.714 0.632 257 HB3 SER 38 HB1 SER 38 2.510 12.374 0.700 258 HG SER 38 HG SER 38 0.996 12.848 -1.275 259 H GLY 39 HN GLY 39 -1.667 11.119 1.750 260 HA2 GLY 39 HA2 GLY 39 -3.722 11.966 2.455 261 HA3 GLY 39 HA1 GLY 39 -2.937 13.493 2.840 262 H1 ARG 208 HT1 ARG 208 -3.228 -13.647 -1.149 263 H2 ARG 208 HT2 ARG 208 -1.985 -12.543 -0.828 264 H3 ARG 208 HT3 ARG 208 -3.596 -12.116 -0.502 265 HA ARG 208 HA ARG 208 -3.720 -13.887 1.156 266 HB2 ARG 208 HB2 ARG 208 -1.930 -15.316 0.261 267 HB3 ARG 208 HB1 ARG 208 -0.739 -14.083 0.654 268 HG2 ARG 208 HG2 ARG 208 -1.490 -14.324 3.059 269 HG3 ARG 208 HG1 ARG 208 -2.364 -15.764 2.536 270 HD2 ARG 208 HD2 ARG 208 0.593 -15.319 2.164 271 HD3 ARG 208 HD1 ARG 208 -0.121 -16.237 3.487 272 HE ARG 208 HE ARG 208 -0.583 -17.039 0.689 273 HH11 ARG 208 HH11 ARG 208 0.591 -17.716 3.923 274 HH12 ARG 208 HH12 ARG 208 0.935 -19.391 3.588 275 HH21 ARG 208 HH21 ARG 208 -0.144 -19.255 0.250 276 HH22 ARG 208 HH22 ARG 208 0.521 -20.255 1.505 277 H ILE 209 HN ILE 209 -1.148 -11.510 0.570 278 HA ILE 209 HA ILE 209 -1.893 -10.296 3.145 279 HB ILE 209 HB ILE 209 0.155 -8.804 2.721 280 HG12 ILE 209 HG12 ILE 209 0.913 -11.091 0.886 281 HG13 ILE 209 HG11 ILE 209 0.438 -9.488 0.334 282 HG21 ILE 209 HG21 ILE 209 1.680 -10.451 3.700 283 HG22 ILE 209 HG22 ILE 209 0.543 -11.738 3.296 284 HG23 ILE 209 HG23 ILE 209 0.087 -10.490 4.457 285 HD11 ILE 209 HD11 ILE 209 2.849 -9.744 0.322 286 HD12 ILE 209 HD12 ILE 209 2.830 -10.132 2.042 287 HD13 ILE 209 HD13 ILE 209 2.355 -8.525 1.496 288 H SEP 210 HN SEP 210 -3.826 -9.377 2.340 289 HA SEP 210 HA SEP 210 -3.182 -6.967 0.835 290 HB2 SEP 210 HB2 SEP 210 -5.317 -6.874 -0.128 291 HB3 SEP 210 HB1 SEP 210 -4.395 -8.261 -0.706 292 HA PRO 211 HA PRO 211 -4.426 -4.609 4.184 293 HB2 PRO 211 HB2 PRO 211 -4.323 -2.539 2.133 294 HB3 PRO 211 HB1 PRO 211 -3.234 -2.789 3.498 295 HG2 PRO 211 HG2 PRO 211 -2.449 -3.149 0.961 296 HG3 PRO 211 HG1 PRO 211 -1.859 -4.198 2.266 297 HD2 PRO 211 HD2 PRO 211 -4.042 -4.746 0.292 298 HD3 PRO 211 HD1 PRO 211 -2.763 -5.770 0.808 299 HA PRO 212 HA PRO 212 -8.593 -3.095 3.800 300 HB2 PRO 212 HB2 PRO 212 -8.399 -2.101 6.325 301 HB3 PRO 212 HB1 PRO 212 -8.769 -3.801 6.006 302 HG2 PRO 212 HG2 PRO 212 -6.110 -2.549 6.650 303 HG3 PRO 212 HG1 PRO 212 -6.853 -3.995 7.364 304 HD2 PRO 212 HD2 PRO 212 -4.977 -4.088 5.476 305 HD3 PRO 212 HD1 PRO 212 -6.293 -5.265 5.507 306 H LEU 213 HN LEU 213 -9.144 -0.965 3.252 307 HA LEU 213 HA LEU 213 -6.944 0.929 3.040 308 HB2 LEU 213 HB2 LEU 213 -9.823 1.425 2.258 309 HB3 LEU 213 HB1 LEU 213 -8.399 2.400 1.812 310 HG LEU 213 HG LEU 213 -7.531 0.347 0.638 311 HD11 LEU 213 HD11 LEU 213 -9.174 -1.321 -0.108 312 HD12 LEU 213 HD12 LEU 213 -10.385 -0.591 0.946 313 HD13 LEU 213 HD13 LEU 213 -8.955 -1.352 1.642 314 HD21 LEU 213 HD21 LEU 213 -10.088 1.568 -0.390 315 HD22 LEU 213 HD22 LEU 213 -8.880 0.724 -1.362 316 HD23 LEU 213 HD23 LEU 213 -8.466 2.241 -0.560 317 HA PRO 214 HA PRO 214 -7.315 2.888 6.818 318 HB2 PRO 214 HB2 PRO 214 -6.504 5.327 5.357 319 HB3 PRO 214 HB1 PRO 214 -5.691 4.480 6.676 320 HG2 PRO 214 HG2 PRO 214 -4.772 4.361 4.155 321 HG3 PRO 214 HG1 PRO 214 -4.662 2.976 5.253 322 HD2 PRO 214 HD2 PRO 214 -6.565 3.449 3.005 323 HD3 PRO 214 HD1 PRO 214 -5.807 1.942 3.523 324 H PHE 215 HN PHE 215 -9.245 3.814 4.171 325 HA PHE 215 HA PHE 215 -10.847 5.544 5.917 326 HB2 PHE 215 HB2 PHE 215 -11.803 6.534 3.839 327 HB3 PHE 215 HB1 PHE 215 -10.082 6.832 4.034 328 HD1 PHE 215 HD1 PHE 215 -8.493 5.238 2.769 329 HD2 PHE 215 HD2 PHE 215 -12.618 5.709 1.845 330 HE1 PHE 215 HE1 PHE 215 -8.077 4.373 0.512 331 HE2 PHE 215 HE2 PHE 215 -12.213 4.840 -0.420 332 HZ PHE 215 HZ PHE 215 -9.940 4.172 -1.094 Start of MODEL 2 1 H1 LEU 7 HT1 LEU 7 6.981 10.674 -1.012 2 H2 LEU 7 HT2 LEU 7 5.852 11.013 0.199 3 H3 LEU 7 HT3 LEU 7 5.358 10.229 -1.216 4 HA LEU 7 HA LEU 7 7.144 9.176 0.884 5 HB2 LEU 7 HB2 LEU 7 4.376 8.372 0.018 6 HB3 LEU 7 HB1 LEU 7 5.383 7.396 1.067 7 HG LEU 7 HG LEU 7 3.941 8.505 2.524 8 HD11 LEU 7 HD11 LEU 7 6.243 8.653 3.271 9 HD12 LEU 7 HD12 LEU 7 5.324 10.070 3.786 10 HD13 LEU 7 HD13 LEU 7 6.435 10.186 2.421 11 HD21 LEU 7 HD21 LEU 7 4.454 11.053 1.004 12 HD22 LEU 7 HD22 LEU 7 3.437 10.890 2.436 13 HD23 LEU 7 HD23 LEU 7 2.987 10.076 0.938 14 HA PRO 8 HA PRO 8 6.575 5.966 -2.949 15 HB2 PRO 8 HB2 PRO 8 7.469 7.463 -5.179 16 HB3 PRO 8 HB1 PRO 8 5.869 6.770 -4.910 17 HG2 PRO 8 HG2 PRO 8 6.845 9.532 -4.415 18 HG3 PRO 8 HG1 PRO 8 5.235 8.976 -4.908 19 HD2 PRO 8 HD2 PRO 8 5.687 9.806 -2.420 20 HD3 PRO 8 HD1 PRO 8 4.632 8.411 -2.732 21 HA PRO 9 HA PRO 9 11.361 6.975 -3.725 22 HB2 PRO 9 HB2 PRO 9 12.221 8.481 -1.519 23 HB3 PRO 9 HB1 PRO 9 12.155 9.020 -3.199 24 HG2 PRO 9 HG2 PRO 9 10.219 9.471 -0.983 25 HG3 PRO 9 HG1 PRO 9 10.673 10.546 -2.316 26 HD2 PRO 9 HD2 PRO 9 8.337 9.241 -2.321 27 HD3 PRO 9 HD1 PRO 9 9.258 9.476 -3.822 28 H GLY 10 HN GLY 10 9.640 6.774 -0.655 29 HA2 GLY 10 HA2 GLY 10 11.513 4.654 0.192 30 HA3 GLY 10 HA1 GLY 10 10.524 5.606 1.290 31 H TRP 11 HN TRP 11 8.115 5.473 -0.185 32 HA TRP 11 HA TRP 11 7.274 2.786 0.560 33 HB2 TRP 11 HB2 TRP 11 5.755 5.288 -0.195 34 HB3 TRP 11 HB1 TRP 11 4.969 3.744 0.113 35 HD1 TRP 11 HD1 TRP 11 7.591 5.826 2.131 36 HE1 TRP 11 HE1 TRP 11 6.801 5.950 4.564 37 HE3 TRP 11 HE3 TRP 11 3.284 3.122 1.692 38 HZ2 TRP 11 HZ2 TRP 11 4.626 5.029 6.096 39 HZ3 TRP 11 HZ3 TRP 11 1.902 2.791 3.701 40 HH2 TRP 11 HH2 TRP 11 2.562 3.730 5.853 41 H GLU 12 HN GLU 12 6.781 1.230 -0.876 42 HA GLU 12 HA GLU 12 7.477 1.811 -3.637 43 HB2 GLU 12 HB2 GLU 12 6.934 -0.863 -2.336 44 HB3 GLU 12 HB1 GLU 12 7.671 -0.586 -3.911 45 HG2 GLU 12 HG2 GLU 12 9.382 0.812 -2.449 46 HG3 GLU 12 HG1 GLU 12 8.835 -0.308 -1.204 47 H LYS 13 HN LYS 13 6.249 1.194 -5.401 48 HA LYS 13 HA LYS 13 3.394 1.263 -4.901 49 HB2 LYS 13 HB2 LYS 13 5.059 1.624 -7.377 50 HB3 LYS 13 HB1 LYS 13 3.309 1.457 -7.445 51 HG2 LYS 13 HG2 LYS 13 4.359 3.457 -5.550 52 HG3 LYS 13 HG1 LYS 13 4.565 3.815 -7.263 53 HD2 LYS 13 HD2 LYS 13 2.455 4.708 -6.206 54 HD3 LYS 13 HD1 LYS 13 2.228 3.731 -7.657 55 HE2 LYS 13 HE2 LYS 13 0.587 3.187 -5.920 56 HE3 LYS 13 HE1 LYS 13 1.623 1.812 -6.297 57 HZ1 LYS 13 HZ1 LYS 13 1.741 3.567 -3.918 58 HZ2 LYS 13 HZ2 LYS 13 2.973 2.481 -4.315 59 HZ3 LYS 13 HZ3 LYS 13 1.419 1.905 -3.964 60 H ARG 14 HN ARG 14 2.551 -0.554 -4.428 61 HA ARG 14 HA ARG 14 3.183 -2.958 -5.986 62 HB2 ARG 14 HB2 ARG 14 4.225 -3.119 -3.807 63 HB3 ARG 14 HB1 ARG 14 2.749 -2.630 -3.003 64 HG2 ARG 14 HG2 ARG 14 3.228 -5.030 -2.783 65 HG3 ARG 14 HG1 ARG 14 1.696 -4.721 -3.593 66 HD2 ARG 14 HD2 ARG 14 3.054 -6.530 -4.625 67 HD3 ARG 14 HD1 ARG 14 2.632 -5.220 -5.723 68 HE ARG 14 HE ARG 14 5.149 -4.660 -4.626 69 HH11 ARG 14 HH11 ARG 14 3.643 -7.062 -6.683 70 HH12 ARG 14 HH12 ARG 14 5.071 -7.335 -7.636 71 HH21 ARG 14 HH21 ARG 14 7.022 -4.991 -5.874 72 HH22 ARG 14 HH22 ARG 14 6.997 -6.122 -7.197 73 H MET 15 HN MET 15 1.342 -4.420 -6.234 74 HA MET 15 HA MET 15 -1.059 -2.820 -6.577 75 HB2 MET 15 HB2 MET 15 -0.398 -5.607 -7.551 76 HB3 MET 15 HB1 MET 15 -1.847 -4.705 -7.969 77 HG2 MET 15 HG2 MET 15 -0.409 -4.488 -9.803 78 HG3 MET 15 HG1 MET 15 -0.319 -2.951 -8.948 79 HE1 MET 15 HE1 MET 15 1.812 -3.687 -11.125 80 HE2 MET 15 HE2 MET 15 3.317 -3.255 -10.310 81 HE3 MET 15 HE3 MET 15 1.897 -2.219 -10.148 82 H SER 16 HN SER 16 -2.878 -3.053 -5.512 83 HA SER 16 HA SER 16 -2.869 -4.756 -3.167 84 HB2 SER 16 HB2 SER 16 -4.673 -3.367 -2.380 85 HB3 SER 16 HB1 SER 16 -3.433 -2.311 -3.047 86 HG SER 16 HG SER 16 -5.174 -1.542 -4.005 87 H ARG 17 HN ARG 17 -4.325 -6.289 -2.735 88 HA ARG 17 HA ARG 17 -5.024 -7.755 -5.058 89 HB2 ARG 17 HB2 ARG 17 -3.936 -8.686 -3.037 90 HB3 ARG 17 HB1 ARG 17 -5.435 -8.444 -2.160 91 HG2 ARG 17 HG2 ARG 17 -6.543 -10.093 -3.339 92 HG3 ARG 17 HG1 ARG 17 -5.348 -10.118 -4.641 93 HD2 ARG 17 HD2 ARG 17 -3.690 -10.969 -2.998 94 HD3 ARG 17 HD1 ARG 17 -4.979 -11.054 -1.800 95 HE ARG 17 HE ARG 17 -4.967 -12.637 -4.291 96 HH11 ARG 17 HH11 ARG 17 -5.721 -12.226 -0.902 97 HH12 ARG 17 HH12 ARG 17 -6.143 -13.900 -0.653 98 HH21 ARG 17 HH21 ARG 17 -5.526 -14.843 -3.993 99 HH22 ARG 17 HH22 ARG 17 -6.041 -15.385 -2.425 100 H SER 18 HN SER 18 -6.905 -5.985 -2.681 101 HA SER 18 HA SER 18 -9.347 -7.347 -3.321 102 HB2 SER 18 HB2 SER 18 -8.984 -6.433 -1.073 103 HB3 SER 18 HB1 SER 18 -8.900 -4.803 -1.740 104 HG SER 18 HG SER 18 -11.173 -6.393 -2.241 105 H SER 19 HN SER 19 -8.408 -3.914 -3.698 106 HA SER 19 HA SER 19 -10.616 -3.550 -5.525 107 HB2 SER 19 HB2 SER 19 -8.583 -1.514 -4.602 108 HB3 SER 19 HB1 SER 19 -10.150 -1.191 -5.343 109 HG SER 19 HG SER 19 -10.163 -0.972 -3.046 110 H GLY 20 HN GLY 20 -7.400 -4.473 -5.910 111 HA2 GLY 20 HA2 GLY 20 -5.986 -4.531 -7.738 112 HA3 GLY 20 HA1 GLY 20 -7.380 -4.092 -8.726 113 H ARG 21 HN ARG 21 -5.401 -2.600 -6.202 114 HA ARG 21 HA ARG 21 -5.400 -0.077 -7.758 115 HB2 ARG 21 HB2 ARG 21 -6.203 -0.421 -4.868 116 HB3 ARG 21 HB1 ARG 21 -5.785 1.134 -5.568 117 HG2 ARG 21 HG2 ARG 21 -8.003 -0.620 -6.590 118 HG3 ARG 21 HG1 ARG 21 -8.227 0.668 -5.408 119 HD2 ARG 21 HD2 ARG 21 -8.807 1.567 -7.521 120 HD3 ARG 21 HD1 ARG 21 -7.241 2.249 -7.090 121 HE ARG 21 HE ARG 21 -7.001 -0.106 -8.701 122 HH11 ARG 21 HH11 ARG 21 -7.654 3.326 -8.812 123 HH12 ARG 21 HH12 ARG 21 -7.081 3.518 -10.443 124 HH21 ARG 21 HH21 ARG 21 -6.242 0.130 -10.848 125 HH22 ARG 21 HH22 ARG 21 -6.272 1.698 -11.603 126 H VAL 22 HN VAL 22 -3.626 1.382 -7.226 127 HA VAL 22 HA VAL 22 -1.361 -0.211 -6.334 128 HB VAL 22 HB VAL 22 -0.038 1.893 -7.011 129 HG11 VAL 22 HG11 VAL 22 -0.090 -0.169 -8.324 130 HG12 VAL 22 HG12 VAL 22 -0.100 1.246 -9.377 131 HG13 VAL 22 HG13 VAL 22 -1.590 0.348 -9.096 132 HG21 VAL 22 HG21 VAL 22 -1.905 3.460 -7.053 133 HG22 VAL 22 HG22 VAL 22 -2.690 2.519 -8.321 134 HG23 VAL 22 HG23 VAL 22 -1.165 3.341 -8.649 135 H TYR 23 HN TYR 23 -1.470 -0.367 -4.232 136 HA TYR 23 HA TYR 23 -1.919 1.940 -2.524 137 HB2 TYR 23 HB2 TYR 23 -2.255 0.433 -0.753 138 HB3 TYR 23 HB1 TYR 23 -2.990 -0.342 -2.145 139 HD1 TYR 23 HD2 TYR 23 -1.464 -2.093 -3.382 140 HD2 TYR 23 HD1 TYR 23 -0.848 -0.802 0.629 141 HE1 TYR 23 HE2 TYR 23 -0.205 -4.146 -2.916 142 HE2 TYR 23 HE1 TYR 23 0.429 -2.862 1.088 143 HH TYR 23 HH TYR 23 0.663 -5.109 0.237 144 H TYR 24 HN TYR 24 -0.370 2.546 -0.876 145 HA TYR 24 HA TYR 24 2.364 2.162 -1.813 146 HB2 TYR 24 HB2 TYR 24 1.201 3.994 0.291 147 HB3 TYR 24 HB1 TYR 24 2.916 3.890 -0.070 148 HD1 TYR 24 HD2 TYR 24 3.414 4.192 -2.736 149 HD2 TYR 24 HD1 TYR 24 0.058 5.748 -0.626 150 HE1 TYR 24 HE2 TYR 24 3.172 5.957 -4.426 151 HE2 TYR 24 HE1 TYR 24 -0.192 7.513 -2.316 152 HH TYR 24 HH TYR 24 1.086 7.430 -5.268 153 H PHE 25 HN PHE 25 3.347 0.418 -1.085 154 HA PHE 25 HA PHE 25 2.965 -0.379 1.721 155 HB2 PHE 25 HB2 PHE 25 2.410 -2.234 0.333 156 HB3 PHE 25 HB1 PHE 25 3.782 -1.944 -0.734 157 HD1 PHE 25 HD1 PHE 25 2.755 -3.249 2.557 158 HD2 PHE 25 HD2 PHE 25 5.959 -2.747 -0.207 159 HE1 PHE 25 HE1 PHE 25 4.144 -4.775 3.889 160 HE2 PHE 25 HE2 PHE 25 7.341 -4.285 1.117 161 HZ PHE 25 HZ PHE 25 6.448 -5.285 3.171 162 H ASN 26 HN ASN 26 4.650 -0.160 3.083 163 HA ASN 26 HA ASN 26 7.322 0.065 1.875 164 HB2 ASN 26 HB2 ASN 26 6.362 2.285 2.691 165 HB3 ASN 26 HB1 ASN 26 6.503 1.625 4.320 166 HD21 ASN 26 HD21 ASN 26 7.856 3.903 3.356 167 HD22 ASN 26 HD22 ASN 26 9.551 3.563 3.376 168 H HIS 27 HN HIS 27 8.751 -1.324 2.705 169 HA HIS 27 HA HIS 27 7.915 -2.904 5.000 170 HB2 HIS 27 HB2 HIS 27 10.146 -4.176 4.338 171 HB3 HIS 27 HB1 HIS 27 8.629 -4.454 3.495 172 HD1 HIS 27 HD1 HIS 27 12.024 -2.905 3.041 173 HD2 HIS 27 HD2 HIS 27 8.557 -3.655 0.866 174 HE1 HIS 27 HE1 HIS 27 12.611 -2.425 0.640 175 HE2 HIS 27 HE2 HIS 27 10.470 -2.771 -0.651 176 H ILE 28 HN ILE 28 9.669 -0.116 4.628 177 HA ILE 28 HA ILE 28 11.606 -0.677 6.680 178 HB ILE 28 HB ILE 28 12.130 1.648 6.766 179 HG12 ILE 28 HG12 ILE 28 9.800 2.351 4.951 180 HG13 ILE 28 HG11 ILE 28 9.685 2.428 6.713 181 HG21 ILE 28 HG21 ILE 28 12.972 0.477 4.832 182 HG22 ILE 28 HG22 ILE 28 12.622 2.156 4.422 183 HG23 ILE 28 HG23 ILE 28 11.515 0.877 3.922 184 HD11 ILE 28 HD11 ILE 28 11.509 4.051 6.751 185 HD12 ILE 28 HD12 ILE 28 10.159 4.600 5.757 186 HD13 ILE 28 HD13 ILE 28 11.615 3.965 4.992 187 H THR 29 HN THR 29 8.433 0.840 6.528 188 HA THR 29 HA THR 29 8.213 0.931 9.417 189 HB THR 29 HB THR 29 5.854 1.760 8.805 190 HG1 THR 29 HG1 THR 29 5.988 2.698 6.559 191 HG21 THR 29 HG21 THR 29 7.647 3.245 9.559 192 HG22 THR 29 HG22 THR 29 6.679 4.012 8.299 193 HG23 THR 29 HG23 THR 29 8.264 3.344 7.910 194 H ASN 30 HN ASN 30 7.476 -1.187 6.837 195 HA ASN 30 HA ASN 30 6.396 -3.188 6.650 196 HB2 ASN 30 HB2 ASN 30 7.319 -3.711 8.906 197 HB3 ASN 30 HB1 ASN 30 5.916 -2.955 9.645 198 HD21 ASN 30 HD21 ASN 30 7.070 -5.694 7.814 199 HD22 ASN 30 HD22 ASN 30 5.709 -6.720 8.118 200 H ALA 31 HN ALA 31 5.178 -0.383 6.829 201 HA ALA 31 HA ALA 31 2.421 -0.949 7.555 202 HB1 ALA 31 HB1 ALA 31 3.447 1.146 8.300 203 HB2 ALA 31 HB2 ALA 31 2.055 1.436 7.256 204 HB3 ALA 31 HB3 ALA 31 3.691 1.620 6.619 205 H SER 32 HN SER 32 0.736 -1.001 6.178 206 HA SER 32 HA SER 32 1.310 -0.787 3.294 207 HB2 SER 32 HB2 SER 32 -0.652 -2.632 4.686 208 HB3 SER 32 HB1 SER 32 -0.398 -2.532 2.946 209 HG SER 32 HG SER 32 1.914 -2.919 4.354 210 H GLN 33 HN GLN 33 0.395 1.048 2.569 211 HA GLN 33 HA GLN 33 -2.186 1.831 3.749 212 HB2 GLN 33 HB2 GLN 33 0.130 3.598 2.976 213 HB3 GLN 33 HB1 GLN 33 -1.473 4.200 3.402 214 HG2 GLN 33 HG2 GLN 33 -1.076 2.785 5.578 215 HG3 GLN 33 HG1 GLN 33 0.618 2.976 5.131 216 HE21 GLN 33 HE21 GLN 33 -1.876 5.334 4.472 217 HE22 GLN 33 HE22 GLN 33 -1.294 6.542 5.572 218 H TRP 34 HN TRP 34 -3.610 1.348 2.203 219 HA TRP 34 HA TRP 34 -3.231 1.951 -0.580 220 HB2 TRP 34 HB2 TRP 34 -5.815 1.540 0.951 221 HB3 TRP 34 HB1 TRP 34 -5.629 1.510 -0.801 222 HD1 TRP 34 HD1 TRP 34 -3.187 -0.386 1.473 223 HE1 TRP 34 HE1 TRP 34 -3.531 -2.896 1.084 224 HE3 TRP 34 HE3 TRP 34 -7.245 -0.162 -1.567 225 HZ2 TRP 34 HZ2 TRP 34 -5.327 -4.574 -0.277 226 HZ3 TRP 34 HZ3 TRP 34 -8.255 -2.270 -2.364 227 HH2 TRP 34 HH2 TRP 34 -7.302 -4.429 -1.735 228 H GLU 35 HN GLU 35 -4.305 3.483 2.264 229 HA GLU 35 HA GLU 35 -5.306 5.822 0.848 230 HB2 GLU 35 HB2 GLU 35 -6.429 6.360 2.819 231 HB3 GLU 35 HB1 GLU 35 -6.433 4.583 2.883 232 HG2 GLU 35 HG2 GLU 35 -4.246 6.140 4.225 233 HG3 GLU 35 HG1 GLU 35 -5.827 6.003 4.990 234 H ARG 36 HN ARG 36 -4.294 7.963 1.424 235 HA ARG 36 HA ARG 36 -1.542 7.470 0.877 236 HB2 ARG 36 HB2 ARG 36 -3.111 10.023 1.079 237 HB3 ARG 36 HB1 ARG 36 -1.383 10.000 0.748 238 HG2 ARG 36 HG2 ARG 36 -2.131 10.010 -1.387 239 HG3 ARG 36 HG1 ARG 36 -2.157 8.269 -1.113 240 HD2 ARG 36 HD2 ARG 36 -4.229 8.789 -2.102 241 HD3 ARG 36 HD1 ARG 36 -4.566 8.563 -0.384 242 HE ARG 36 HE ARG 36 -4.011 11.293 -1.088 243 HH11 ARG 36 HH11 ARG 36 -6.525 8.859 -0.894 244 HH12 ARG 36 HH12 ARG 36 -7.812 10.020 -0.832 245 HH21 ARG 36 HH21 ARG 36 -5.697 12.811 -0.993 246 HH22 ARG 36 HH22 ARG 36 -7.343 12.260 -0.883 247 HA PRO 37 HA PRO 37 0.247 7.345 4.893 248 HB2 PRO 37 HB2 PRO 37 2.573 8.430 3.371 249 HB3 PRO 37 HB1 PRO 37 2.508 7.038 4.447 250 HG2 PRO 37 HG2 PRO 37 2.580 6.709 1.818 251 HG3 PRO 37 HG1 PRO 37 1.557 5.674 2.831 252 HD2 PRO 37 HD2 PRO 37 0.796 7.930 1.039 253 HD3 PRO 37 HD1 PRO 37 -0.075 6.427 1.404 254 H SER 38 HN SER 38 1.640 10.067 3.065 255 HA SER 38 HA SER 38 0.604 11.946 5.054 256 HB2 SER 38 HB2 SER 38 2.938 11.169 5.707 257 HB3 SER 38 HB1 SER 38 3.520 11.925 4.227 258 HG SER 38 HG SER 38 1.966 13.655 5.600 259 H GLY 39 HN GLY 39 0.474 11.095 2.078 260 HA2 GLY 39 HA2 GLY 39 -0.275 13.420 0.870 261 HA3 GLY 39 HA1 GLY 39 1.464 13.340 0.608 262 H1 ARG 208 HT1 ARG 208 -4.847 -12.457 2.380 263 H2 ARG 208 HT2 ARG 208 -4.558 -13.581 3.620 264 H3 ARG 208 HT3 ARG 208 -4.984 -14.121 2.069 265 HA ARG 208 HA ARG 208 -2.611 -14.396 2.524 266 HB2 ARG 208 HB2 ARG 208 -3.496 -14.029 0.220 267 HB3 ARG 208 HB1 ARG 208 -3.230 -12.305 0.419 268 HG2 ARG 208 HG2 ARG 208 -0.786 -12.882 0.811 269 HG3 ARG 208 HG1 ARG 208 -1.187 -14.492 0.209 270 HD2 ARG 208 HD2 ARG 208 -0.314 -13.061 -1.573 271 HD3 ARG 208 HD1 ARG 208 -1.987 -13.530 -1.879 272 HE ARG 208 HE ARG 208 -2.374 -11.181 -0.703 273 HH11 ARG 208 HH11 ARG 208 -0.104 -12.095 -3.220 274 HH12 ARG 208 HH12 ARG 208 -0.001 -10.489 -3.870 275 HH21 ARG 208 HH21 ARG 208 -2.218 -9.083 -1.548 276 HH22 ARG 208 HH22 ARG 208 -1.208 -8.778 -2.934 277 H ILE 209 HN ILE 209 -1.996 -11.332 1.246 278 HA ILE 209 HA ILE 209 -1.663 -10.055 3.850 279 HB ILE 209 HB ILE 209 0.420 -8.900 2.799 280 HG12 ILE 209 HG12 ILE 209 0.463 -11.528 1.291 281 HG13 ILE 209 HG11 ILE 209 0.170 -9.948 0.571 282 HG21 ILE 209 HG21 ILE 209 0.560 -11.728 3.839 283 HG22 ILE 209 HG22 ILE 209 0.502 -10.251 4.804 284 HG23 ILE 209 HG23 ILE 209 1.902 -10.584 3.786 285 HD11 ILE 209 HD11 ILE 209 2.453 -10.674 0.205 286 HD12 ILE 209 HD12 ILE 209 2.702 -10.817 1.945 287 HD13 ILE 209 HD13 ILE 209 2.406 -9.235 1.222 288 H SEP 210 HN SEP 210 -3.546 -8.936 3.367 289 HA SEP 210 HA SEP 210 -3.001 -6.532 1.948 290 HB2 SEP 210 HB2 SEP 210 -4.859 -6.521 0.533 291 HB3 SEP 210 HB1 SEP 210 -3.687 -7.747 0.029 292 HA PRO 211 HA PRO 211 -5.706 -4.746 4.897 293 HB2 PRO 211 HB2 PRO 211 -5.020 -2.395 3.324 294 HB3 PRO 211 HB1 PRO 211 -4.446 -2.816 4.933 295 HG2 PRO 211 HG2 PRO 211 -2.815 -2.739 2.795 296 HG3 PRO 211 HG1 PRO 211 -2.587 -3.916 4.104 297 HD2 PRO 211 HD2 PRO 211 -3.943 -4.336 1.462 298 HD3 PRO 211 HD1 PRO 211 -2.772 -5.322 2.236 299 HA PRO 212 HA PRO 212 -9.419 -3.937 2.606 300 HB2 PRO 212 HB2 PRO 212 -10.794 -3.791 4.950 301 HB3 PRO 212 HB1 PRO 212 -10.413 -5.330 4.166 302 HG2 PRO 212 HG2 PRO 212 -8.927 -3.949 6.397 303 HG3 PRO 212 HG1 PRO 212 -9.426 -5.650 6.293 304 HD2 PRO 212 HD2 PRO 212 -6.962 -4.771 5.784 305 HD3 PRO 212 HD1 PRO 212 -7.656 -6.117 4.876 306 H LEU 213 HN LEU 213 -8.904 -1.820 1.914 307 HA LEU 213 HA LEU 213 -9.442 0.340 3.853 308 HB2 LEU 213 HB2 LEU 213 -7.117 0.085 1.971 309 HB3 LEU 213 HB1 LEU 213 -7.796 1.695 2.210 310 HG LEU 213 HG LEU 213 -7.071 1.840 4.380 311 HD11 LEU 213 HD11 LEU 213 -6.326 -0.007 5.781 312 HD12 LEU 213 HD12 LEU 213 -6.699 -1.143 4.483 313 HD13 LEU 213 HD13 LEU 213 -7.995 -0.231 5.257 314 HD21 LEU 213 HD21 LEU 213 -5.190 1.849 2.885 315 HD22 LEU 213 HD22 LEU 213 -5.062 0.092 2.990 316 HD23 LEU 213 HD23 LEU 213 -4.734 1.088 4.409 317 HA PRO 214 HA PRO 214 -12.549 1.551 1.125 318 HB2 PRO 214 HB2 PRO 214 -12.516 4.275 1.327 319 HB3 PRO 214 HB1 PRO 214 -13.140 3.194 2.577 320 HG2 PRO 214 HG2 PRO 214 -10.499 4.575 2.409 321 HG3 PRO 214 HG1 PRO 214 -11.537 4.306 3.820 322 HD2 PRO 214 HD2 PRO 214 -9.330 2.804 3.301 323 HD3 PRO 214 HD1 PRO 214 -10.749 2.167 4.145 324 H PHE 215 HN PHE 215 -9.367 2.397 0.298 325 HA PHE 215 HA PHE 215 -10.225 3.710 -2.186 326 HB2 PHE 215 HB2 PHE 215 -7.477 3.666 -0.914 327 HB3 PHE 215 HB1 PHE 215 -7.942 4.576 -2.348 328 HD1 PHE 215 HD1 PHE 215 -9.329 6.562 -2.163 329 HD2 PHE 215 HD2 PHE 215 -8.125 4.377 1.280 330 HE1 PHE 215 HE1 PHE 215 -9.985 8.458 -0.736 331 HE2 PHE 215 HE2 PHE 215 -8.779 6.256 2.717 332 HZ PHE 215 HZ PHE 215 -9.713 8.307 1.708 Start of MODEL 3 1 H1 LEU 7 HT1 LEU 7 5.705 12.141 -1.753 2 H2 LEU 7 HT2 LEU 7 7.126 11.645 -2.540 3 H3 LEU 7 HT3 LEU 7 7.207 12.304 -0.979 4 HA LEU 7 HA LEU 7 5.977 10.440 -0.095 5 HB2 LEU 7 HB2 LEU 7 4.750 9.983 -2.213 6 HB3 LEU 7 HB1 LEU 7 6.229 9.333 -2.894 7 HG LEU 7 HG LEU 7 6.222 7.606 -1.076 8 HD11 LEU 7 HD11 LEU 7 4.127 7.213 0.119 9 HD12 LEU 7 HD12 LEU 7 3.453 8.686 -0.578 10 HD13 LEU 7 HD13 LEU 7 4.822 8.782 0.530 11 HD21 LEU 7 HD21 LEU 7 5.439 7.115 -3.329 12 HD22 LEU 7 HD22 LEU 7 3.824 7.674 -2.898 13 HD23 LEU 7 HD23 LEU 7 4.497 6.240 -2.125 14 HA PRO 8 HA PRO 8 10.227 9.274 0.720 15 HB2 PRO 8 HB2 PRO 8 8.818 7.199 2.325 16 HB3 PRO 8 HB1 PRO 8 10.100 8.317 2.807 17 HG2 PRO 8 HG2 PRO 8 7.589 8.725 3.584 18 HG3 PRO 8 HG1 PRO 8 8.627 10.085 3.111 19 HD2 PRO 8 HD2 PRO 8 6.427 8.752 1.584 20 HD3 PRO 8 HD1 PRO 8 6.864 10.472 1.666 21 HA PRO 9 HA PRO 9 10.803 6.173 -2.415 22 HB2 PRO 9 HB2 PRO 9 13.243 5.646 -0.784 23 HB3 PRO 9 HB1 PRO 9 13.085 5.907 -2.525 24 HG2 PRO 9 HG2 PRO 9 13.997 7.845 -0.953 25 HG3 PRO 9 HG1 PRO 9 12.902 8.209 -2.299 26 HD2 PRO 9 HD2 PRO 9 12.343 8.111 0.629 27 HD3 PRO 9 HD1 PRO 9 11.658 9.174 -0.617 28 H GLY 10 HN GLY 10 11.059 5.442 1.007 29 HA2 GLY 10 HA2 GLY 10 11.280 2.648 0.868 30 HA3 GLY 10 HA1 GLY 10 10.644 3.552 2.230 31 H TRP 11 HN TRP 11 8.637 4.572 -0.031 32 HA TRP 11 HA TRP 11 6.674 2.490 0.511 33 HB2 TRP 11 HB2 TRP 11 6.441 5.239 -0.716 34 HB3 TRP 11 HB1 TRP 11 5.095 4.108 -0.640 35 HD1 TRP 11 HD1 TRP 11 7.404 6.106 1.723 36 HE1 TRP 11 HE1 TRP 11 6.169 6.492 3.942 37 HE3 TRP 11 HE3 TRP 11 3.257 3.284 0.807 38 HZ2 TRP 11 HZ2 TRP 11 3.754 5.690 5.144 39 HZ3 TRP 11 HZ3 TRP 11 1.533 3.136 2.553 40 HH2 TRP 11 HH2 TRP 11 1.777 4.313 4.677 41 H GLU 12 HN GLU 12 6.403 0.887 -0.818 42 HA GLU 12 HA GLU 12 7.434 1.009 -3.553 43 HB2 GLU 12 HB2 GLU 12 6.344 -1.405 -2.102 44 HB3 GLU 12 HB1 GLU 12 7.393 -1.377 -3.513 45 HG2 GLU 12 HG2 GLU 12 8.197 -0.436 -0.774 46 HG3 GLU 12 HG1 GLU 12 8.529 -2.038 -1.422 47 H LYS 13 HN LYS 13 6.154 0.401 -5.334 48 HA LYS 13 HA LYS 13 3.290 0.747 -4.894 49 HB2 LYS 13 HB2 LYS 13 4.939 0.731 -7.416 50 HB3 LYS 13 HB1 LYS 13 3.186 0.878 -7.394 51 HG2 LYS 13 HG2 LYS 13 4.363 2.766 -5.586 52 HG3 LYS 13 HG1 LYS 13 5.081 2.921 -7.190 53 HD2 LYS 13 HD2 LYS 13 3.056 4.329 -6.769 54 HD3 LYS 13 HD1 LYS 13 2.964 3.299 -8.195 55 HE2 LYS 13 HE2 LYS 13 1.636 1.687 -6.885 56 HE3 LYS 13 HE1 LYS 13 1.708 2.777 -5.501 57 HZ1 LYS 13 HZ1 LYS 13 0.568 4.460 -6.841 58 HZ2 LYS 13 HZ2 LYS 13 -0.362 3.055 -6.695 59 HZ3 LYS 13 HZ3 LYS 13 0.471 3.375 -8.138 60 H ARG 14 HN ARG 14 2.323 -1.035 -4.303 61 HA ARG 14 HA ARG 14 2.918 -3.521 -5.766 62 HB2 ARG 14 HB2 ARG 14 3.756 -3.633 -3.472 63 HB3 ARG 14 HB1 ARG 14 2.181 -3.170 -2.847 64 HG2 ARG 14 HG2 ARG 14 2.567 -5.555 -2.588 65 HG3 ARG 14 HG1 ARG 14 1.227 -5.253 -3.693 66 HD2 ARG 14 HD2 ARG 14 2.514 -6.971 -4.676 67 HD3 ARG 14 HD1 ARG 14 2.884 -5.505 -5.579 68 HE ARG 14 HE ARG 14 4.671 -6.449 -3.439 69 HH11 ARG 14 HH11 ARG 14 4.127 -5.521 -6.772 70 HH12 ARG 14 HH12 ARG 14 5.800 -5.669 -7.221 71 HH21 ARG 14 HH21 ARG 14 6.867 -6.681 -4.026 72 HH22 ARG 14 HH22 ARG 14 7.359 -6.331 -5.663 73 H MET 15 HN MET 15 1.118 -4.904 -6.174 74 HA MET 15 HA MET 15 -1.332 -3.382 -6.503 75 HB2 MET 15 HB2 MET 15 -2.051 -5.261 -7.929 76 HB3 MET 15 HB1 MET 15 -0.503 -4.602 -8.432 77 HG2 MET 15 HG2 MET 15 0.641 -6.456 -7.322 78 HG3 MET 15 HG1 MET 15 -0.918 -7.120 -6.837 79 HE1 MET 15 HE1 MET 15 1.431 -6.246 -9.869 80 HE2 MET 15 HE2 MET 15 -0.046 -5.362 -10.249 81 HE3 MET 15 HE3 MET 15 0.436 -6.740 -11.238 82 H SER 16 HN SER 16 -3.093 -3.624 -5.374 83 HA SER 16 HA SER 16 -3.172 -5.546 -3.200 84 HB2 SER 16 HB2 SER 16 -5.252 -4.249 -2.585 85 HB3 SER 16 HB1 SER 16 -3.766 -3.304 -2.600 86 HG SER 16 HG SER 16 -4.371 -2.356 -4.484 87 H ARG 17 HN ARG 17 -4.517 -7.222 -3.087 88 HA ARG 17 HA ARG 17 -5.295 -8.332 -5.566 89 HB2 ARG 17 HB2 ARG 17 -4.367 -9.521 -3.533 90 HB3 ARG 17 HB1 ARG 17 -5.970 -9.380 -2.830 91 HG2 ARG 17 HG2 ARG 17 -6.894 -10.595 -4.747 92 HG3 ARG 17 HG1 ARG 17 -5.260 -10.832 -5.363 93 HD2 ARG 17 HD2 ARG 17 -4.693 -12.016 -3.267 94 HD3 ARG 17 HD1 ARG 17 -6.370 -11.842 -2.746 95 HE ARG 17 HE ARG 17 -5.457 -13.437 -5.054 96 HH11 ARG 17 HH11 ARG 17 -7.812 -12.716 -2.568 97 HH12 ARG 17 HH12 ARG 17 -8.847 -14.055 -2.974 98 HH21 ARG 17 HH21 ARG 17 -6.786 -15.220 -5.580 99 HH22 ARG 17 HH22 ARG 17 -8.264 -15.475 -4.697 100 H SER 18 HN SER 18 -7.069 -6.592 -3.146 101 HA SER 18 HA SER 18 -9.575 -7.840 -3.588 102 HB2 SER 18 HB2 SER 18 -9.034 -5.103 -2.423 103 HB3 SER 18 HB1 SER 18 -10.480 -6.088 -2.185 104 HG SER 18 HG SER 18 -8.703 -7.694 -1.422 105 H SER 19 HN SER 19 -8.740 -4.436 -4.305 106 HA SER 19 HA SER 19 -10.790 -4.432 -6.356 107 HB2 SER 19 HB2 SER 19 -9.040 -2.142 -5.454 108 HB3 SER 19 HB1 SER 19 -10.553 -2.039 -6.354 109 HG SER 19 HG SER 19 -11.617 -2.916 -4.525 110 H GLY 20 HN GLY 20 -7.513 -5.107 -6.262 111 HA2 GLY 20 HA2 GLY 20 -5.928 -5.336 -7.927 112 HA3 GLY 20 HA1 GLY 20 -7.196 -4.974 -9.098 113 H ARG 21 HN ARG 21 -5.665 -3.209 -6.436 114 HA ARG 21 HA ARG 21 -5.352 -0.905 -8.263 115 HB2 ARG 21 HB2 ARG 21 -6.323 -0.916 -5.407 116 HB3 ARG 21 HB1 ARG 21 -5.789 0.540 -6.231 117 HG2 ARG 21 HG2 ARG 21 -8.073 -1.210 -7.125 118 HG3 ARG 21 HG1 ARG 21 -8.238 0.279 -6.197 119 HD2 ARG 21 HD2 ARG 21 -8.654 0.871 -8.445 120 HD3 ARG 21 HD1 ARG 21 -7.025 1.444 -8.089 121 HE ARG 21 HE ARG 21 -6.863 -1.136 -9.195 122 HH11 ARG 21 HH11 ARG 21 -7.716 2.127 -10.181 123 HH12 ARG 21 HH12 ARG 21 -7.239 1.876 -11.832 124 HH21 ARG 21 HH21 ARG 21 -6.261 -1.460 -11.353 125 HH22 ARG 21 HH22 ARG 21 -6.423 -0.165 -12.504 126 H VAL 22 HN VAL 22 -3.588 0.528 -7.805 127 HA VAL 22 HA VAL 22 -1.353 -0.969 -6.696 128 HB VAL 22 HB VAL 22 -0.100 1.198 -7.547 129 HG11 VAL 22 HG11 VAL 22 0.137 0.126 -9.750 130 HG12 VAL 22 HG12 VAL 22 -1.262 -0.891 -9.403 131 HG13 VAL 22 HG13 VAL 22 0.208 -1.056 -8.443 132 HG21 VAL 22 HG21 VAL 22 -2.119 2.479 -8.038 133 HG22 VAL 22 HG22 VAL 22 -2.658 1.232 -9.162 134 HG23 VAL 22 HG23 VAL 22 -1.208 2.172 -9.517 135 H TYR 23 HN TYR 23 -1.630 -0.866 -4.565 136 HA TYR 23 HA TYR 23 -1.905 1.683 -3.201 137 HB2 TYR 23 HB2 TYR 23 -2.401 0.467 -1.246 138 HB3 TYR 23 HB1 TYR 23 -3.174 -0.455 -2.525 139 HD1 TYR 23 HD2 TYR 23 -2.044 -2.573 -3.332 140 HD2 TYR 23 HD1 TYR 23 -0.742 -0.476 0.129 141 HE1 TYR 23 HE2 TYR 23 -0.839 -4.578 -2.576 142 HE2 TYR 23 HE1 TYR 23 0.471 -2.471 0.885 143 HH TYR 23 HH TYR 23 1.020 -5.168 -1.113 144 H TYR 24 HN TYR 24 -0.408 2.357 -1.606 145 HA TYR 24 HA TYR 24 2.316 1.711 -2.390 146 HB2 TYR 24 HB2 TYR 24 1.228 3.855 -0.555 147 HB3 TYR 24 HB1 TYR 24 2.913 3.687 -1.035 148 HD1 TYR 24 HD2 TYR 24 3.631 4.253 -3.283 149 HD2 TYR 24 HD1 TYR 24 -0.441 4.678 -2.134 150 HE1 TYR 24 HE2 TYR 24 3.222 5.651 -5.256 151 HE2 TYR 24 HE1 TYR 24 -0.864 6.063 -4.117 152 HH TYR 24 HH TYR 24 0.481 7.514 -5.678 153 H PHE 25 HN PHE 25 3.235 0.065 -1.365 154 HA PHE 25 HA PHE 25 2.538 -0.517 1.421 155 HB2 PHE 25 HB2 PHE 25 2.412 -2.520 0.191 156 HB3 PHE 25 HB1 PHE 25 3.831 -2.127 -0.776 157 HD1 PHE 25 HD2 PHE 25 2.669 -3.398 2.484 158 HD2 PHE 25 HD1 PHE 25 6.030 -2.580 0.004 159 HE1 PHE 25 HE2 PHE 25 4.118 -4.631 4.036 160 HE2 PHE 25 HE1 PHE 25 7.476 -3.821 1.540 161 HZ PHE 25 HZ PHE 25 6.542 -4.822 3.563 162 H ASN 26 HN ASN 26 3.822 0.243 2.972 163 HA ASN 26 HA ASN 26 6.606 0.899 2.259 164 HB2 ASN 26 HB2 ASN 26 5.369 2.832 3.006 165 HB3 ASN 26 HB1 ASN 26 4.805 1.965 4.440 166 HD21 ASN 26 HD21 ASN 26 7.416 3.638 2.941 167 HD22 ASN 26 HD22 ASN 26 8.421 3.735 4.343 168 H HIS 27 HN HIS 27 8.276 -0.076 3.341 169 HA HIS 27 HA HIS 27 7.478 -1.958 5.452 170 HB2 HIS 27 HB2 HIS 27 9.783 -3.057 4.821 171 HB3 HIS 27 HB1 HIS 27 8.324 -3.406 3.908 172 HD1 HIS 27 HD1 HIS 27 11.433 -1.221 3.676 173 HD2 HIS 27 HD2 HIS 27 8.498 -2.954 1.282 174 HE1 HIS 27 HE1 HIS 27 12.127 -0.737 1.305 175 HE2 HIS 27 HE2 HIS 27 10.248 -1.619 -0.120 176 H ILE 28 HN ILE 28 8.865 0.995 5.272 177 HA ILE 28 HA ILE 28 10.911 0.468 7.254 178 HB ILE 28 HB ILE 28 11.296 2.843 7.418 179 HG12 ILE 28 HG12 ILE 28 8.991 3.296 5.505 180 HG13 ILE 28 HG11 ILE 28 8.895 3.566 7.244 181 HG21 ILE 28 HG21 ILE 28 11.908 3.342 5.094 182 HG22 ILE 28 HG22 ILE 28 10.907 1.995 4.554 183 HG23 ILE 28 HG23 ILE 28 12.325 1.693 5.557 184 HD11 ILE 28 HD11 ILE 28 10.741 4.982 5.335 185 HD12 ILE 28 HD12 ILE 28 10.639 5.263 7.073 186 HD13 ILE 28 HD13 ILE 28 9.263 5.640 6.037 187 H THR 29 HN THR 29 7.674 1.882 7.140 188 HA THR 29 HA THR 29 7.381 1.648 10.025 189 HB THR 29 HB THR 29 5.166 2.243 8.062 190 HG1 THR 29 HG1 THR 29 7.284 3.918 8.941 191 HG21 THR 29 HG21 THR 29 4.528 1.869 10.396 192 HG22 THR 29 HG22 THR 29 4.267 3.552 9.933 193 HG23 THR 29 HG23 THR 29 5.666 3.114 10.913 194 H ASN 30 HN ASN 30 6.855 -0.139 7.152 195 HA ASN 30 HA ASN 30 6.138 -2.257 6.692 196 HB2 ASN 30 HB2 ASN 30 7.091 -2.697 9.073 197 HB3 ASN 30 HB1 ASN 30 5.408 -2.688 9.589 198 HD21 ASN 30 HD21 ASN 30 4.069 -4.386 8.991 199 HD22 ASN 30 HD22 ASN 30 4.672 -5.851 8.298 200 H ALA 31 HN ALA 31 4.462 0.151 6.825 201 HA ALA 31 HA ALA 31 1.815 -0.940 7.437 202 HB1 ALA 31 HB1 ALA 31 2.362 1.236 8.413 203 HB2 ALA 31 HB2 ALA 31 1.017 1.357 7.279 204 HB3 ALA 31 HB3 ALA 31 2.626 1.893 6.798 205 H SER 32 HN SER 32 0.319 -1.321 5.919 206 HA SER 32 HA SER 32 1.085 -0.914 3.106 207 HB2 SER 32 HB2 SER 32 -0.878 -2.837 4.378 208 HB3 SER 32 HB1 SER 32 -0.555 -2.733 2.652 209 HG SER 32 HG SER 32 1.583 -3.352 3.074 210 H GLN 33 HN GLN 33 0.081 0.749 2.079 211 HA GLN 33 HA GLN 33 -2.496 1.658 3.192 212 HB2 GLN 33 HB2 GLN 33 -0.160 3.305 2.221 213 HB3 GLN 33 HB1 GLN 33 -1.747 3.973 2.600 214 HG2 GLN 33 HG2 GLN 33 -0.039 2.469 4.567 215 HG3 GLN 33 HG1 GLN 33 -0.060 4.223 4.408 216 HE21 GLN 33 HE21 GLN 33 -0.773 4.492 6.509 217 HE22 GLN 33 HE22 GLN 33 -2.395 4.140 6.987 218 H TRP 34 HN TRP 34 -4.101 1.610 1.808 219 HA TRP 34 HA TRP 34 -3.766 1.622 -1.062 220 HB2 TRP 34 HB2 TRP 34 -6.191 1.859 0.719 221 HB3 TRP 34 HB1 TRP 34 -6.293 1.833 -1.025 222 HD1 TRP 34 HD1 TRP 34 -4.578 -0.436 1.602 223 HE1 TRP 34 HE1 TRP 34 -5.201 -2.858 1.057 224 HE3 TRP 34 HE3 TRP 34 -7.480 0.340 -2.543 225 HZ2 TRP 34 HZ2 TRP 34 -6.687 -4.261 -0.810 226 HZ3 TRP 34 HZ3 TRP 34 -8.474 -1.627 -3.654 227 HH2 TRP 34 HH2 TRP 34 -8.076 -3.891 -2.800 228 H GLU 35 HN GLU 35 -5.290 3.704 1.315 229 HA GLU 35 HA GLU 35 -5.712 5.855 -0.491 230 HB2 GLU 35 HB2 GLU 35 -7.039 6.657 1.164 231 HB3 GLU 35 HB1 GLU 35 -6.873 5.022 1.827 232 HG2 GLU 35 HG2 GLU 35 -6.299 6.116 3.695 233 HG3 GLU 35 HG1 GLU 35 -4.723 6.296 2.925 234 H ARG 36 HN ARG 36 -4.749 8.115 0.046 235 HA ARG 36 HA ARG 36 -2.018 7.649 -0.616 236 HB2 ARG 36 HB2 ARG 36 -3.480 9.415 -1.633 237 HB3 ARG 36 HB1 ARG 36 -3.332 10.323 -0.134 238 HG2 ARG 36 HG2 ARG 36 -0.896 10.426 -0.456 239 HG3 ARG 36 HG1 ARG 36 -1.078 9.560 -1.983 240 HD2 ARG 36 HD2 ARG 36 -2.594 11.392 -2.749 241 HD3 ARG 36 HD1 ARG 36 -2.184 12.274 -1.280 242 HE ARG 36 HE ARG 36 0.226 11.957 -2.231 243 HH11 ARG 36 HH11 ARG 36 -2.705 12.707 -3.995 244 HH12 ARG 36 HH12 ARG 36 -1.867 13.506 -5.295 245 HH21 ARG 36 HH21 ARG 36 1.340 13.066 -3.906 246 HH22 ARG 36 HH22 ARG 36 0.422 13.744 -5.227 247 HA PRO 37 HA PRO 37 -0.273 7.555 3.481 248 HB2 PRO 37 HB2 PRO 37 2.131 8.203 1.831 249 HB3 PRO 37 HB1 PRO 37 1.925 6.958 3.069 250 HG2 PRO 37 HG2 PRO 37 1.903 6.305 0.501 251 HG3 PRO 37 HG1 PRO 37 0.769 5.543 1.631 252 HD2 PRO 37 HD2 PRO 37 0.281 7.663 -0.406 253 HD3 PRO 37 HD1 PRO 37 -0.772 6.334 0.117 254 H SER 38 HN SER 38 1.026 9.992 1.230 255 HA SER 38 HA SER 38 0.539 12.103 3.148 256 HB2 SER 38 HB2 SER 38 2.740 11.252 3.846 257 HB3 SER 38 HB1 SER 38 3.342 11.427 2.200 258 HG SER 38 HG SER 38 2.362 13.585 3.779 259 H GLY 39 HN GLY 39 3.008 12.428 0.729 260 HA2 GLY 39 HA2 GLY 39 1.074 13.436 -1.228 261 HA3 GLY 39 HA1 GLY 39 2.374 14.495 -0.692 262 H1 ARG 208 HT1 ARG 208 -1.491 -11.000 -2.242 263 H2 ARG 208 HT2 ARG 208 -3.173 -11.083 -2.055 264 H3 ARG 208 HT3 ARG 208 -2.388 -12.106 -3.166 265 HA ARG 208 HA ARG 208 -2.993 -13.337 -1.210 266 HB2 ARG 208 HB2 ARG 208 -0.853 -13.881 -2.357 267 HB3 ARG 208 HB1 ARG 208 -0.013 -12.790 -1.266 268 HG2 ARG 208 HG2 ARG 208 0.282 -15.071 -0.547 269 HG3 ARG 208 HG1 ARG 208 -0.694 -14.193 0.634 270 HD2 ARG 208 HD2 ARG 208 -1.593 -16.428 0.208 271 HD3 ARG 208 HD1 ARG 208 -2.722 -15.171 -0.294 272 HE ARG 208 HE ARG 208 -0.960 -16.279 -2.339 273 HH11 ARG 208 HH11 ARG 208 -4.146 -16.226 -0.867 274 HH12 ARG 208 HH12 ARG 208 -4.922 -16.952 -2.245 275 HH21 ARG 208 HH21 ARG 208 -1.996 -17.212 -4.155 276 HH22 ARG 208 HH22 ARG 208 -3.718 -17.501 -4.100 277 H ILE 209 HN ILE 209 -0.697 -10.726 -0.418 278 HA ILE 209 HA ILE 209 -2.051 -10.509 2.189 279 HB ILE 209 HB ILE 209 0.477 -9.034 1.390 280 HG12 ILE 209 HG12 ILE 209 0.259 -11.649 2.920 281 HG13 ILE 209 HG11 ILE 209 0.866 -11.487 1.275 282 HG21 ILE 209 HG21 ILE 209 -0.782 -8.091 3.248 283 HG22 ILE 209 HG22 ILE 209 0.737 -8.783 3.816 284 HG23 ILE 209 HG23 ILE 209 -0.776 -9.652 4.068 285 HD11 ILE 209 HD11 ILE 209 2.706 -10.108 2.093 286 HD12 ILE 209 HD12 ILE 209 2.683 -11.692 2.867 287 HD13 ILE 209 HD13 ILE 209 2.096 -10.275 3.739 288 H SEP 210 HN SEP 210 -3.917 -9.461 1.369 289 HA SEP 210 HA SEP 210 -3.320 -6.758 0.414 290 HB2 SEP 210 HB2 SEP 210 -5.430 -6.606 -0.579 291 HB3 SEP 210 HB1 SEP 210 -4.467 -7.877 -1.326 292 HA PRO 211 HA PRO 211 -4.798 -4.960 4.044 293 HB2 PRO 211 HB2 PRO 211 -4.673 -2.615 2.318 294 HB3 PRO 211 HB1 PRO 211 -3.638 -3.029 3.684 295 HG2 PRO 211 HG2 PRO 211 -2.723 -2.984 1.166 296 HG3 PRO 211 HG1 PRO 211 -2.156 -4.201 2.329 297 HD2 PRO 211 HD2 PRO 211 -4.241 -4.506 0.199 298 HD3 PRO 211 HD1 PRO 211 -2.947 -5.561 0.600 299 HA PRO 212 HA PRO 212 -8.955 -3.406 3.637 300 HB2 PRO 212 HB2 PRO 212 -8.878 -2.675 6.258 301 HB3 PRO 212 HB1 PRO 212 -9.222 -4.334 5.751 302 HG2 PRO 212 HG2 PRO 212 -6.595 -3.154 6.630 303 HG3 PRO 212 HG1 PRO 212 -7.361 -4.661 7.169 304 HD2 PRO 212 HD2 PRO 212 -5.408 -4.561 5.363 305 HD3 PRO 212 HD1 PRO 212 -6.716 -5.739 5.221 306 H LEU 213 HN LEU 213 -9.324 -1.254 3.009 307 HA LEU 213 HA LEU 213 -7.200 0.674 3.188 308 HB2 LEU 213 HB2 LEU 213 -10.072 1.302 2.482 309 HB3 LEU 213 HB1 LEU 213 -8.633 2.297 2.160 310 HG LEU 213 HG LEU 213 -7.818 0.387 0.736 311 HD11 LEU 213 HD11 LEU 213 -9.539 -1.075 -0.245 312 HD12 LEU 213 HD12 LEU 213 -10.724 -0.437 0.894 313 HD13 LEU 213 HD13 LEU 213 -9.346 -1.364 1.485 314 HD21 LEU 213 HD21 LEU 213 -8.638 2.491 -0.163 315 HD22 LEU 213 HD22 LEU 213 -10.296 1.891 -0.104 316 HD23 LEU 213 HD23 LEU 213 -9.125 1.144 -1.192 317 HA PRO 214 HA PRO 214 -7.622 2.635 6.997 318 HB2 PRO 214 HB2 PRO 214 -7.461 5.156 5.438 319 HB3 PRO 214 HB1 PRO 214 -6.425 4.571 6.744 320 HG2 PRO 214 HG2 PRO 214 -5.601 4.535 4.200 321 HG3 PRO 214 HG1 PRO 214 -5.169 3.240 5.329 322 HD2 PRO 214 HD2 PRO 214 -7.192 3.228 3.137 323 HD3 PRO 214 HD1 PRO 214 -6.152 1.921 3.693 324 H PHE 215 HN PHE 215 -9.904 3.121 4.518 325 HA PHE 215 HA PHE 215 -11.594 4.917 6.045 326 HB2 PHE 215 HB2 PHE 215 -12.170 3.439 3.467 327 HB3 PHE 215 HB1 PHE 215 -13.144 4.728 4.165 328 HD1 PHE 215 HD2 PHE 215 -12.417 7.029 4.063 329 HD2 PHE 215 HD1 PHE 215 -10.091 3.906 2.347 330 HE1 PHE 215 HE2 PHE 215 -11.127 8.692 2.792 331 HE2 PHE 215 HE1 PHE 215 -8.802 5.564 1.071 332 HZ PHE 215 HZ PHE 215 -9.320 7.959 1.291 Start of MODEL 4 1 H1 LEU 7 HT1 LEU 7 8.966 11.475 1.106 2 H2 LEU 7 HT2 LEU 7 8.130 10.993 -0.281 3 H3 LEU 7 HT3 LEU 7 9.820 10.907 -0.246 4 HA LEU 7 HA LEU 7 9.760 9.241 1.423 5 HB2 LEU 7 HB2 LEU 7 7.807 8.388 2.396 6 HB3 LEU 7 HB1 LEU 7 7.691 10.131 2.480 7 HG LEU 7 HG LEU 7 6.222 8.375 0.503 8 HD11 LEU 7 HD11 LEU 7 4.247 8.965 1.819 9 HD12 LEU 7 HD12 LEU 7 5.274 9.824 2.967 10 HD13 LEU 7 HD13 LEU 7 5.432 8.078 2.778 11 HD21 LEU 7 HD21 LEU 7 4.959 10.380 -0.052 12 HD22 LEU 7 HD22 LEU 7 6.673 10.619 -0.389 13 HD23 LEU 7 HD23 LEU 7 5.950 11.332 1.053 14 HA PRO 8 HA PRO 8 7.550 7.012 -2.510 15 HB2 PRO 8 HB2 PRO 8 9.301 7.866 -4.557 16 HB3 PRO 8 HB1 PRO 8 7.567 8.168 -4.425 17 HG2 PRO 8 HG2 PRO 8 9.856 9.901 -3.679 18 HG3 PRO 8 HG1 PRO 8 8.242 10.349 -4.260 19 HD2 PRO 8 HD2 PRO 8 8.931 10.664 -1.697 20 HD3 PRO 8 HD1 PRO 8 7.292 10.154 -2.152 21 HA PRO 9 HA PRO 9 12.160 5.341 -3.143 22 HB2 PRO 9 HB2 PRO 9 13.706 6.078 -0.946 23 HB3 PRO 9 HB1 PRO 9 13.868 6.718 -2.585 24 HG2 PRO 9 HG2 PRO 9 12.411 7.859 -0.239 25 HG3 PRO 9 HG1 PRO 9 13.394 8.689 -1.463 26 HD2 PRO 9 HD2 PRO 9 10.740 8.785 -1.566 27 HD3 PRO 9 HD1 PRO 9 11.690 8.597 -3.056 28 H GLY 10 HN GLY 10 10.535 5.920 -0.065 29 HA2 GLY 10 HA2 GLY 10 11.394 3.286 0.902 30 HA3 GLY 10 HA1 GLY 10 10.639 4.541 1.871 31 H TRP 11 HN TRP 11 8.800 4.632 -0.736 32 HA TRP 11 HA TRP 11 6.951 2.603 0.322 33 HB2 TRP 11 HB2 TRP 11 6.399 5.336 -0.838 34 HB3 TRP 11 HB1 TRP 11 5.136 4.128 -0.609 35 HD1 TRP 11 HD1 TRP 11 7.821 5.874 1.597 36 HE1 TRP 11 HE1 TRP 11 6.824 6.301 3.915 37 HE3 TRP 11 HE3 TRP 11 3.270 3.685 0.897 38 HZ2 TRP 11 HZ2 TRP 11 4.421 5.769 5.276 39 HZ3 TRP 11 HZ3 TRP 11 1.679 3.679 2.769 40 HH2 TRP 11 HH2 TRP 11 2.243 4.698 4.914 41 H GLU 12 HN GLU 12 6.337 1.063 -0.982 42 HA GLU 12 HA GLU 12 7.407 0.990 -3.687 43 HB2 GLU 12 HB2 GLU 12 5.952 -1.129 -2.090 44 HB3 GLU 12 HB1 GLU 12 6.829 -1.383 -3.589 45 HG2 GLU 12 HG2 GLU 12 8.155 -0.385 -1.090 46 HG3 GLU 12 HG1 GLU 12 7.965 -2.099 -1.450 47 H LYS 13 HN LYS 13 6.175 0.903 -5.525 48 HA LYS 13 HA LYS 13 3.300 1.170 -5.218 49 HB2 LYS 13 HB2 LYS 13 5.180 1.541 -7.502 50 HB3 LYS 13 HB1 LYS 13 3.484 1.220 -7.835 51 HG2 LYS 13 HG2 LYS 13 4.156 3.352 -5.879 52 HG3 LYS 13 HG1 LYS 13 4.425 3.673 -7.591 53 HD2 LYS 13 HD2 LYS 13 2.194 4.415 -6.761 54 HD3 LYS 13 HD1 LYS 13 2.111 3.265 -8.094 55 HE2 LYS 13 HE2 LYS 13 0.460 2.789 -6.335 56 HE3 LYS 13 HE1 LYS 13 1.606 1.469 -6.553 57 HZ1 LYS 13 HZ1 LYS 13 1.572 3.486 -4.387 58 HZ2 LYS 13 HZ2 LYS 13 2.849 2.407 -4.638 59 HZ3 LYS 13 HZ3 LYS 13 1.313 1.818 -4.244 60 H ARG 14 HN ARG 14 2.521 -0.670 -4.582 61 HA ARG 14 HA ARG 14 3.053 -3.095 -6.150 62 HB2 ARG 14 HB2 ARG 14 3.909 -3.145 -3.806 63 HB3 ARG 14 HB1 ARG 14 2.267 -2.891 -3.233 64 HG2 ARG 14 HG2 ARG 14 1.567 -5.010 -4.018 65 HG3 ARG 14 HG1 ARG 14 3.055 -5.236 -4.939 66 HD2 ARG 14 HD2 ARG 14 2.853 -5.073 -1.934 67 HD3 ARG 14 HD1 ARG 14 3.051 -6.554 -2.870 68 HE ARG 14 HE ARG 14 5.135 -4.926 -3.631 69 HH11 ARG 14 HH11 ARG 14 3.997 -6.344 -0.640 70 HH12 ARG 14 HH12 ARG 14 5.570 -6.396 0.086 71 HH21 ARG 14 HH21 ARG 14 7.211 -4.971 -2.681 72 HH22 ARG 14 HH22 ARG 14 7.408 -5.624 -1.074 73 H MET 15 HN MET 15 1.237 -4.494 -6.488 74 HA MET 15 HA MET 15 -1.175 -2.919 -6.859 75 HB2 MET 15 HB2 MET 15 -0.335 -5.640 -7.869 76 HB3 MET 15 HB1 MET 15 -1.924 -4.953 -8.169 77 HG2 MET 15 HG2 MET 15 -0.636 -4.552 -10.099 78 HG3 MET 15 HG1 MET 15 -0.769 -3.011 -9.257 79 HE1 MET 15 HE1 MET 15 1.573 -6.088 -8.435 80 HE2 MET 15 HE2 MET 15 3.034 -5.629 -9.308 81 HE3 MET 15 HE3 MET 15 1.560 -6.015 -10.197 82 H SER 16 HN SER 16 -3.055 -3.286 -5.935 83 HA SER 16 HA SER 16 -3.088 -4.867 -3.501 84 HB2 SER 16 HB2 SER 16 -5.212 -3.041 -4.630 85 HB3 SER 16 HB1 SER 16 -5.106 -3.636 -2.978 86 HG SER 16 HG SER 16 -3.365 -1.832 -4.289 87 H ARG 17 HN ARG 17 -4.486 -6.511 -3.133 88 HA ARG 17 HA ARG 17 -4.593 -8.159 -5.414 89 HB2 ARG 17 HB2 ARG 17 -3.905 -8.870 -3.152 90 HB3 ARG 17 HB1 ARG 17 -5.557 -8.658 -2.599 91 HG2 ARG 17 HG2 ARG 17 -6.334 -10.428 -3.933 92 HG3 ARG 17 HG1 ARG 17 -4.804 -10.546 -4.806 93 HD2 ARG 17 HD2 ARG 17 -3.703 -11.189 -2.692 94 HD3 ARG 17 HD1 ARG 17 -5.273 -11.147 -1.888 95 HE ARG 17 HE ARG 17 -4.543 -13.024 -4.046 96 HH11 ARG 17 HH11 ARG 17 -6.335 -12.198 -1.145 97 HH12 ARG 17 HH12 ARG 17 -7.105 -13.761 -1.033 98 HH21 ARG 17 HH21 ARG 17 -5.532 -15.061 -3.893 99 HH22 ARG 17 HH22 ARG 17 -6.609 -15.410 -2.578 100 H SER 18 HN SER 18 -7.251 -7.588 -3.068 101 HA SER 18 HA SER 18 -9.090 -8.847 -4.823 102 HB2 SER 18 HB2 SER 18 -9.745 -7.180 -2.393 103 HB3 SER 18 HB1 SER 18 -10.728 -8.455 -3.119 104 HG SER 18 HG SER 18 -9.439 -9.056 -1.216 105 H SER 19 HN SER 19 -8.491 -5.442 -4.035 106 HA SER 19 HA SER 19 -10.850 -4.676 -5.540 107 HB2 SER 19 HB2 SER 19 -10.328 -3.641 -3.332 108 HB3 SER 19 HB1 SER 19 -8.915 -2.888 -4.067 109 HG SER 19 HG SER 19 -11.641 -2.336 -4.429 110 H GLY 20 HN GLY 20 -7.534 -5.067 -6.191 111 HA2 GLY 20 HA2 GLY 20 -6.260 -4.539 -8.038 112 HA3 GLY 20 HA1 GLY 20 -7.756 -4.075 -8.837 113 H ARG 21 HN ARG 21 -5.639 -2.880 -6.229 114 HA ARG 21 HA ARG 21 -6.050 -0.139 -7.310 115 HB2 ARG 21 HB2 ARG 21 -5.991 -0.945 -4.397 116 HB3 ARG 21 HB1 ARG 21 -5.958 0.717 -4.967 117 HG2 ARG 21 HG2 ARG 21 -8.163 0.266 -6.082 118 HG3 ARG 21 HG1 ARG 21 -8.194 -1.275 -5.220 119 HD2 ARG 21 HD2 ARG 21 -7.834 0.102 -3.099 120 HD3 ARG 21 HD1 ARG 21 -8.239 1.510 -4.082 121 HE ARG 21 HE ARG 21 -10.211 -0.503 -4.369 122 HH11 ARG 21 HH11 ARG 21 -9.096 1.935 -2.098 123 HH12 ARG 21 HH12 ARG 21 -10.631 2.068 -1.311 124 HH21 ARG 21 HH21 ARG 21 -12.217 -0.331 -3.314 125 HH22 ARG 21 HH22 ARG 21 -12.412 0.781 -1.987 126 H VAL 22 HN VAL 22 -4.254 1.330 -7.086 127 HA VAL 22 HA VAL 22 -1.725 -0.070 -6.701 128 HB VAL 22 HB VAL 22 -0.744 2.241 -7.309 129 HG11 VAL 22 HG11 VAL 22 -0.733 0.321 -8.812 130 HG12 VAL 22 HG12 VAL 22 -1.071 1.803 -9.707 131 HG13 VAL 22 HG13 VAL 22 -2.382 0.689 -9.318 132 HG21 VAL 22 HG21 VAL 22 -3.599 2.637 -8.217 133 HG22 VAL 22 HG22 VAL 22 -2.236 3.679 -8.624 134 HG23 VAL 22 HG23 VAL 22 -2.777 3.550 -6.951 135 H TYR 23 HN TYR 23 -1.622 -0.423 -4.508 136 HA TYR 23 HA TYR 23 -1.957 1.866 -2.731 137 HB2 TYR 23 HB2 TYR 23 -2.196 0.377 -0.956 138 HB3 TYR 23 HB1 TYR 23 -3.005 -0.422 -2.290 139 HD1 TYR 23 HD2 TYR 23 -1.579 -2.212 -3.561 140 HD2 TYR 23 HD1 TYR 23 -0.677 -0.791 0.346 141 HE1 TYR 23 HE2 TYR 23 -0.309 -4.255 -3.124 142 HE2 TYR 23 HE1 TYR 23 0.613 -2.834 0.790 143 HH TYR 23 HH TYR 23 0.708 -5.156 -0.014 144 H TYR 24 HN TYR 24 -0.315 2.509 -1.275 145 HA TYR 24 HA TYR 24 2.381 1.984 -2.238 146 HB2 TYR 24 HB2 TYR 24 1.427 3.972 -0.172 147 HB3 TYR 24 HB1 TYR 24 3.048 3.881 -0.850 148 HD1 TYR 24 HD2 TYR 24 3.464 4.604 -3.177 149 HD2 TYR 24 HD1 TYR 24 -0.384 4.975 -1.397 150 HE1 TYR 24 HE2 TYR 24 2.809 6.191 -4.929 151 HE2 TYR 24 HE1 TYR 24 -1.053 6.555 -3.154 152 HH TYR 24 HH TYR 24 0.119 8.161 -4.746 153 H PHE 25 HN PHE 25 3.308 0.213 -1.367 154 HA PHE 25 HA PHE 25 2.759 -0.477 1.421 155 HB2 PHE 25 HB2 PHE 25 2.632 -2.433 0.141 156 HB3 PHE 25 HB1 PHE 25 3.972 -1.961 -0.899 157 HD1 PHE 25 HD1 PHE 25 3.054 -3.480 2.335 158 HD2 PHE 25 HD2 PHE 25 6.242 -2.333 -0.253 159 HE1 PHE 25 HE1 PHE 25 4.646 -4.754 3.714 160 HE2 PHE 25 HE2 PHE 25 7.819 -3.614 1.108 161 HZ PHE 25 HZ PHE 25 7.044 -4.802 3.094 162 H ASN 26 HN ASN 26 4.077 0.254 2.980 163 HA ASN 26 HA ASN 26 6.814 1.029 2.217 164 HB2 ASN 26 HB2 ASN 26 5.596 2.863 3.170 165 HB3 ASN 26 HB1 ASN 26 5.045 1.866 4.520 166 HD21 ASN 26 HD21 ASN 26 7.632 3.691 3.167 167 HD22 ASN 26 HD22 ASN 26 8.642 3.688 4.569 168 H HIS 27 HN HIS 27 8.558 -0.023 3.098 169 HA HIS 27 HA HIS 27 7.900 -2.114 5.055 170 HB2 HIS 27 HB2 HIS 27 10.224 -3.060 4.249 171 HB3 HIS 27 HB1 HIS 27 8.736 -3.395 3.380 172 HD1 HIS 27 HD1 HIS 27 11.773 -1.104 3.167 173 HD2 HIS 27 HD2 HIS 27 8.764 -2.735 0.797 174 HE1 HIS 27 HE1 HIS 27 12.343 -0.440 0.806 175 HE2 HIS 27 HE2 HIS 27 10.435 -1.296 -0.603 176 H ILE 28 HN ILE 28 9.381 0.869 5.008 177 HA ILE 28 HA ILE 28 11.464 0.193 6.871 178 HB ILE 28 HB ILE 28 11.742 2.579 7.306 179 HG12 ILE 28 HG12 ILE 28 9.465 3.085 5.373 180 HG13 ILE 28 HG11 ILE 28 9.307 3.197 7.126 181 HG21 ILE 28 HG21 ILE 28 12.377 3.284 5.044 182 HG22 ILE 28 HG22 ILE 28 11.450 1.939 4.377 183 HG23 ILE 28 HG23 ILE 28 12.861 1.623 5.388 184 HD11 ILE 28 HD11 ILE 28 9.609 5.381 6.124 185 HD12 ILE 28 HD12 ILE 28 11.127 4.854 5.397 186 HD13 ILE 28 HD13 ILE 28 10.984 4.975 7.151 187 H THR 29 HN THR 29 8.229 1.632 7.120 188 HA THR 29 HA THR 29 8.142 1.062 9.967 189 HB THR 29 HB THR 29 5.873 2.045 8.225 190 HG1 THR 29 HG1 THR 29 6.652 4.164 9.142 191 HG21 THR 29 HG21 THR 29 5.231 1.280 10.463 192 HG22 THR 29 HG22 THR 29 5.066 3.031 10.329 193 HG23 THR 29 HG23 THR 29 6.446 2.340 11.181 194 H ASN 30 HN ASN 30 7.547 -0.540 7.050 195 HA ASN 30 HA ASN 30 6.689 -2.584 6.481 196 HB2 ASN 30 HB2 ASN 30 7.732 -3.307 8.659 197 HB3 ASN 30 HB1 ASN 30 6.193 -2.991 9.450 198 HD21 ASN 30 HD21 ASN 30 6.625 -4.399 6.247 199 HD22 ASN 30 HD22 ASN 30 5.971 -5.947 6.649 200 H ALA 31 HN ALA 31 5.089 -0.107 6.890 201 HA ALA 31 HA ALA 31 2.444 -1.150 7.558 202 HB1 ALA 31 HB1 ALA 31 3.318 1.677 6.975 203 HB2 ALA 31 HB2 ALA 31 3.122 0.969 8.578 204 HB3 ALA 31 HB3 ALA 31 1.720 1.177 7.528 205 H SER 32 HN SER 32 1.080 -1.775 6.036 206 HA SER 32 HA SER 32 1.605 -1.089 3.247 207 HB2 SER 32 HB2 SER 32 -0.341 -3.063 4.466 208 HB3 SER 32 HB1 SER 32 -0.053 -2.852 2.741 209 HG SER 32 HG SER 32 2.157 -3.337 4.364 210 H GLN 33 HN GLN 33 0.688 0.761 2.573 211 HA GLN 33 HA GLN 33 -1.978 1.439 3.630 212 HB2 GLN 33 HB2 GLN 33 0.258 3.217 2.661 213 HB3 GLN 33 HB1 GLN 33 -1.383 3.796 2.953 214 HG2 GLN 33 HG2 GLN 33 -1.073 2.759 5.308 215 HG3 GLN 33 HG1 GLN 33 0.645 2.831 4.920 216 HE21 GLN 33 HE21 GLN 33 -0.918 4.266 6.941 217 HE22 GLN 33 HE22 GLN 33 -0.652 5.944 6.638 218 H TRP 34 HN TRP 34 -3.583 1.865 2.270 219 HA TRP 34 HA TRP 34 -3.105 1.763 -0.630 220 HB2 TRP 34 HB2 TRP 34 -5.612 1.477 1.052 221 HB3 TRP 34 HB1 TRP 34 -5.615 1.531 -0.719 222 HD1 TRP 34 HD1 TRP 34 -3.009 -0.492 1.252 223 HE1 TRP 34 HE1 TRP 34 -3.399 -2.978 0.762 224 HE3 TRP 34 HE3 TRP 34 -7.274 -0.093 -1.458 225 HZ2 TRP 34 HZ2 TRP 34 -5.305 -4.577 -0.552 226 HZ3 TRP 34 HZ3 TRP 34 -8.359 -2.150 -2.285 227 HH2 TRP 34 HH2 TRP 34 -7.380 -4.341 -1.838 228 H GLU 35 HN GLU 35 -4.122 3.563 2.030 229 HA GLU 35 HA GLU 35 -5.277 5.760 0.586 230 HB2 GLU 35 HB2 GLU 35 -5.734 6.607 2.813 231 HB3 GLU 35 HB1 GLU 35 -6.125 4.874 2.770 232 HG2 GLU 35 HG2 GLU 35 -3.836 4.479 3.765 233 HG3 GLU 35 HG1 GLU 35 -3.747 6.217 4.046 234 H ARG 36 HN ARG 36 -4.309 7.974 0.827 235 HA ARG 36 HA ARG 36 -1.652 7.711 -0.162 236 HB2 ARG 36 HB2 ARG 36 -3.492 9.384 -0.852 237 HB3 ARG 36 HB1 ARG 36 -2.913 10.350 0.499 238 HG2 ARG 36 HG2 ARG 36 -0.661 10.341 -0.497 239 HG3 ARG 36 HG1 ARG 36 -1.297 9.441 -1.875 240 HD2 ARG 36 HD2 ARG 36 -2.040 12.224 -1.002 241 HD3 ARG 36 HD1 ARG 36 -1.186 11.754 -2.470 242 HE ARG 36 HE ARG 36 -3.314 10.631 -3.133 243 HH11 ARG 36 HH11 ARG 36 -3.316 13.243 -0.809 244 HH12 ARG 36 HH12 ARG 36 -4.927 13.774 -1.211 245 HH21 ARG 36 HH21 ARG 36 -5.442 11.278 -3.638 246 HH22 ARG 36 HH22 ARG 36 -6.158 12.625 -2.794 247 HA PRO 37 HA PRO 37 0.446 7.629 3.647 248 HB2 PRO 37 HB2 PRO 37 2.932 8.357 2.656 249 HB3 PRO 37 HB1 PRO 37 2.275 6.719 2.656 250 HG2 PRO 37 HG2 PRO 37 2.368 8.734 0.462 251 HG3 PRO 37 HG1 PRO 37 2.548 6.972 0.383 252 HD2 PRO 37 HD2 PRO 37 0.284 8.216 -0.368 253 HD3 PRO 37 HD1 PRO 37 0.263 6.617 0.394 254 H SER 38 HN SER 38 0.691 10.530 1.652 255 HA SER 38 HA SER 38 1.604 12.022 4.013 256 HB2 SER 38 HB2 SER 38 1.635 12.861 1.105 257 HB3 SER 38 HB1 SER 38 2.325 13.762 2.455 258 HG SER 38 HG SER 38 3.695 11.893 2.817 259 H GLY 39 HN GLY 39 -1.224 11.244 2.597 260 HA2 GLY 39 HA2 GLY 39 -3.337 12.153 2.793 261 HA3 GLY 39 HA1 GLY 39 -2.627 13.483 3.701 262 H1 ARG 208 HT1 ARG 208 -2.075 -11.911 -0.519 263 H2 ARG 208 HT2 ARG 208 -1.987 -13.555 -0.928 264 H3 ARG 208 HT3 ARG 208 -0.780 -12.855 0.035 265 HA ARG 208 HA ARG 208 -3.606 -13.320 0.763 266 HB2 ARG 208 HB2 ARG 208 -2.129 -15.288 0.887 267 HB3 ARG 208 HB1 ARG 208 -1.019 -14.394 1.910 268 HG2 ARG 208 HG2 ARG 208 -2.334 -15.904 3.247 269 HG3 ARG 208 HG1 ARG 208 -2.758 -14.241 3.643 270 HD2 ARG 208 HD2 ARG 208 -4.344 -15.871 1.675 271 HD3 ARG 208 HD1 ARG 208 -4.669 -15.918 3.405 272 HE ARG 208 HE ARG 208 -4.634 -13.235 2.566 273 HH11 ARG 208 HH11 ARG 208 -6.593 -16.127 2.257 274 HH12 ARG 208 HH12 ARG 208 -8.070 -15.247 1.985 275 HH21 ARG 208 HH21 ARG 208 -6.569 -12.072 2.199 276 HH22 ARG 208 HH22 ARG 208 -8.052 -12.951 1.950 277 H ILE 209 HN ILE 209 -0.978 -11.192 1.094 278 HA ILE 209 HA ILE 209 -1.991 -10.227 3.674 279 HB ILE 209 HB ILE 209 0.393 -8.973 2.324 280 HG12 ILE 209 HG12 ILE 209 1.728 -10.599 3.908 281 HG13 ILE 209 HG11 ILE 209 0.320 -11.639 3.721 282 HG21 ILE 209 HG21 ILE 209 -0.562 -7.894 4.268 283 HG22 ILE 209 HG22 ILE 209 1.040 -8.530 4.646 284 HG23 ILE 209 HG23 ILE 209 -0.402 -9.381 5.203 285 HD11 ILE 209 HD11 ILE 209 2.060 -12.237 2.146 286 HD12 ILE 209 HD12 ILE 209 2.063 -10.597 1.496 287 HD13 ILE 209 HD13 ILE 209 0.643 -11.623 1.294 288 H SEP 210 HN SEP 210 -3.929 -9.258 2.842 289 HA SEP 210 HA SEP 210 -3.261 -6.704 1.620 290 HB2 SEP 210 HB2 SEP 210 -5.122 -6.613 0.270 291 HB3 SEP 210 HB1 SEP 210 -4.079 -7.959 -0.218 292 HA PRO 211 HA PRO 211 -5.637 -4.731 4.709 293 HB2 PRO 211 HB2 PRO 211 -4.884 -2.461 3.028 294 HB3 PRO 211 HB1 PRO 211 -4.284 -2.856 4.638 295 HG2 PRO 211 HG2 PRO 211 -2.707 -2.960 2.479 296 HG3 PRO 211 HG1 PRO 211 -2.556 -4.160 3.781 297 HD2 PRO 211 HD2 PRO 211 -4.043 -4.437 1.183 298 HD3 PRO 211 HD1 PRO 211 -2.911 -5.522 1.889 299 HA PRO 212 HA PRO 212 -9.447 -3.603 2.713 300 HB2 PRO 212 HB2 PRO 212 -10.661 -3.549 5.136 301 HB3 PRO 212 HB1 PRO 212 -10.394 -5.059 4.254 302 HG2 PRO 212 HG2 PRO 212 -8.714 -3.850 6.447 303 HG3 PRO 212 HG1 PRO 212 -9.305 -5.518 6.307 304 HD2 PRO 212 HD2 PRO 212 -6.834 -4.732 5.673 305 HD3 PRO 212 HD1 PRO 212 -7.646 -6.011 4.769 306 H LEU 213 HN LEU 213 -8.895 -1.424 2.138 307 HA LEU 213 HA LEU 213 -8.947 0.521 4.359 308 HB2 LEU 213 HB2 LEU 213 -7.024 0.299 2.094 309 HB3 LEU 213 HB1 LEU 213 -7.507 1.932 2.566 310 HG LEU 213 HG LEU 213 -6.477 1.790 4.617 311 HD11 LEU 213 HD11 LEU 213 -6.370 -1.211 4.372 312 HD12 LEU 213 HD12 LEU 213 -7.439 -0.294 5.435 313 HD13 LEU 213 HD13 LEU 213 -5.696 -0.266 5.702 314 HD21 LEU 213 HD21 LEU 213 -4.819 1.828 2.896 315 HD22 LEU 213 HD22 LEU 213 -4.833 0.066 2.808 316 HD23 LEU 213 HD23 LEU 213 -4.240 0.873 4.262 317 HA PRO 214 HA PRO 214 -12.378 2.152 2.267 318 HB2 PRO 214 HB2 PRO 214 -12.668 4.467 3.615 319 HB3 PRO 214 HB1 PRO 214 -12.963 2.892 4.358 320 HG2 PRO 214 HG2 PRO 214 -10.608 4.699 4.616 321 HG3 PRO 214 HG1 PRO 214 -11.377 3.675 5.838 322 HD2 PRO 214 HD2 PRO 214 -9.064 3.039 4.459 323 HD3 PRO 214 HD1 PRO 214 -10.116 1.866 5.266 324 H PHE 215 HN PHE 215 -9.341 3.609 1.932 325 HA PHE 215 HA PHE 215 -10.339 5.829 0.328 326 HB2 PHE 215 HB2 PHE 215 -7.557 5.130 1.272 327 HB3 PHE 215 HB1 PHE 215 -7.927 6.504 0.234 328 HD1 PHE 215 HD2 PHE 215 -8.369 5.077 3.597 329 HD2 PHE 215 HD1 PHE 215 -8.909 8.487 1.109 330 HE1 PHE 215 HE2 PHE 215 -8.846 6.444 5.584 331 HE2 PHE 215 HE1 PHE 215 -9.389 9.861 3.094 332 HZ PHE 215 HZ PHE 215 -9.357 8.840 5.335 Start of MODEL 5 1 H1 LEU 7 HT1 LEU 7 6.233 11.399 -0.494 2 H2 LEU 7 HT2 LEU 7 7.480 12.131 -1.375 3 H3 LEU 7 HT3 LEU 7 7.281 12.484 0.267 4 HA LEU 7 HA LEU 7 9.139 10.964 -0.218 5 HB2 LEU 7 HB2 LEU 7 8.757 9.618 1.689 6 HB3 LEU 7 HB1 LEU 7 7.960 11.149 1.966 7 HG LEU 7 HG LEU 7 6.543 8.607 1.143 8 HD11 LEU 7 HD11 LEU 7 5.761 8.538 3.461 9 HD12 LEU 7 HD12 LEU 7 6.779 9.925 3.846 10 HD13 LEU 7 HD13 LEU 7 7.516 8.398 3.362 11 HD21 LEU 7 HD21 LEU 7 4.513 9.809 1.804 12 HD22 LEU 7 HD22 LEU 7 5.337 10.612 0.468 13 HD23 LEU 7 HD23 LEU 7 5.470 11.260 2.102 14 HA PRO 8 HA PRO 8 6.568 7.712 -2.795 15 HB2 PRO 8 HB2 PRO 8 7.530 8.374 -5.306 16 HB3 PRO 8 HB1 PRO 8 5.926 8.755 -4.677 17 HG2 PRO 8 HG2 PRO 8 8.350 10.470 -4.857 18 HG3 PRO 8 HG1 PRO 8 6.644 10.907 -5.060 19 HD2 PRO 8 HD2 PRO 8 8.029 11.490 -2.819 20 HD3 PRO 8 HD1 PRO 8 6.297 11.109 -2.793 21 HA PRO 9 HA PRO 9 11.112 6.521 -4.338 22 HB2 PRO 9 HB2 PRO 9 13.017 7.649 -2.678 23 HB3 PRO 9 HB1 PRO 9 12.659 8.186 -4.322 24 HG2 PRO 9 HG2 PRO 9 11.660 9.274 -1.718 25 HG3 PRO 9 HG1 PRO 9 12.223 10.150 -3.156 26 HD2 PRO 9 HD2 PRO 9 9.626 9.907 -2.666 27 HD3 PRO 9 HD1 PRO 9 10.243 9.737 -4.324 28 H GLY 10 HN GLY 10 10.134 7.269 -1.048 29 HA2 GLY 10 HA2 GLY 10 11.707 5.166 0.132 30 HA3 GLY 10 HA1 GLY 10 10.503 6.153 0.946 31 H TRP 11 HN TRP 11 8.278 5.597 -0.643 32 HA TRP 11 HA TRP 11 7.633 2.996 0.499 33 HB2 TRP 11 HB2 TRP 11 5.990 5.289 -0.571 34 HB3 TRP 11 HB1 TRP 11 5.263 3.733 -0.187 35 HD1 TRP 11 HD1 TRP 11 7.714 6.027 1.818 36 HE1 TRP 11 HE1 TRP 11 6.790 6.273 4.193 37 HE3 TRP 11 HE3 TRP 11 3.463 3.241 1.318 38 HZ2 TRP 11 HZ2 TRP 11 4.563 5.414 5.668 39 HZ3 TRP 11 HZ3 TRP 11 1.988 3.005 3.273 40 HH2 TRP 11 HH2 TRP 11 2.530 4.069 5.401 41 H GLU 12 HN GLU 12 6.845 1.249 -0.658 42 HA GLU 12 HA GLU 12 7.533 1.259 -3.489 43 HB2 GLU 12 HB2 GLU 12 6.808 -1.267 -3.163 44 HB3 GLU 12 HB1 GLU 12 8.401 -0.698 -2.661 45 HG2 GLU 12 HG2 GLU 12 6.503 -0.386 -0.532 46 HG3 GLU 12 HG1 GLU 12 6.462 -2.035 -1.150 47 H LYS 13 HN LYS 13 6.155 0.795 -5.144 48 HA LYS 13 HA LYS 13 3.312 1.013 -4.573 49 HB2 LYS 13 HB2 LYS 13 5.002 1.225 -7.016 50 HB3 LYS 13 HB1 LYS 13 3.334 0.706 -7.222 51 HG2 LYS 13 HG2 LYS 13 4.160 3.227 -5.803 52 HG3 LYS 13 HG1 LYS 13 3.692 3.144 -7.503 53 HD2 LYS 13 HD2 LYS 13 1.498 2.225 -6.811 54 HD3 LYS 13 HD1 LYS 13 1.976 2.424 -5.126 55 HE2 LYS 13 HE2 LYS 13 2.096 4.781 -5.349 56 HE3 LYS 13 HE1 LYS 13 1.917 4.691 -7.103 57 HZ1 LYS 13 HZ1 LYS 13 -0.163 3.928 -5.121 58 HZ2 LYS 13 HZ2 LYS 13 -0.330 3.892 -6.801 59 HZ3 LYS 13 HZ3 LYS 13 -0.134 5.369 -6.009 60 H ARG 14 HN ARG 14 2.403 -0.734 -3.921 61 HA ARG 14 HA ARG 14 3.149 -3.310 -5.124 62 HB2 ARG 14 HB2 ARG 14 3.946 -3.259 -2.891 63 HB3 ARG 14 HB1 ARG 14 2.475 -2.534 -2.286 64 HG2 ARG 14 HG2 ARG 14 2.472 -4.774 -1.564 65 HG3 ARG 14 HG1 ARG 14 1.318 -4.703 -2.897 66 HD2 ARG 14 HD2 ARG 14 2.769 -6.680 -3.016 67 HD3 ARG 14 HD1 ARG 14 2.961 -5.619 -4.411 68 HE ARG 14 HE ARG 14 4.885 -4.907 -2.521 69 HH11 ARG 14 HH11 ARG 14 4.088 -7.598 -4.596 70 HH12 ARG 14 HH12 ARG 14 5.730 -8.160 -4.727 71 HH21 ARG 14 HH21 ARG 14 7.053 -5.587 -2.721 72 HH22 ARG 14 HH22 ARG 14 7.424 -6.999 -3.679 73 H MET 15 HN MET 15 1.367 -4.855 -5.337 74 HA MET 15 HA MET 15 -0.912 -3.343 -6.317 75 HB2 MET 15 HB2 MET 15 -0.060 -6.205 -6.762 76 HB3 MET 15 HB1 MET 15 -1.482 -5.472 -7.490 77 HG2 MET 15 HG2 MET 15 1.346 -4.527 -7.890 78 HG3 MET 15 HG1 MET 15 0.450 -5.552 -9.007 79 HE1 MET 15 HE1 MET 15 1.889 -2.720 -9.722 80 HE2 MET 15 HE2 MET 15 0.680 -2.054 -10.822 81 HE3 MET 15 HE3 MET 15 1.103 -3.764 -10.905 82 H SER 16 HN SER 16 -2.876 -3.415 -5.596 83 HA SER 16 HA SER 16 -3.567 -4.993 -3.249 84 HB2 SER 16 HB2 SER 16 -5.262 -3.029 -4.809 85 HB3 SER 16 HB1 SER 16 -5.557 -3.612 -3.175 86 HG SER 16 HG SER 16 -3.112 -2.498 -3.389 87 H ARG 17 HN ARG 17 -4.940 -6.702 -3.323 88 HA ARG 17 HA ARG 17 -4.796 -8.079 -5.788 89 HB2 ARG 17 HB2 ARG 17 -4.440 -9.154 -3.610 90 HB3 ARG 17 HB1 ARG 17 -6.114 -8.841 -3.186 91 HG2 ARG 17 HG2 ARG 17 -6.940 -10.383 -4.662 92 HG3 ARG 17 HG1 ARG 17 -5.473 -10.403 -5.640 93 HD2 ARG 17 HD2 ARG 17 -4.294 -11.589 -3.893 94 HD3 ARG 17 HD1 ARG 17 -5.701 -11.480 -2.831 95 HE ARG 17 HE ARG 17 -6.851 -12.795 -4.702 96 HH11 ARG 17 HH11 ARG 17 -3.454 -13.146 -3.891 97 HH12 ARG 17 HH12 ARG 17 -3.378 -14.806 -4.400 98 HH21 ARG 17 HH21 ARG 17 -6.728 -14.950 -5.413 99 HH22 ARG 17 HH22 ARG 17 -5.234 -15.825 -5.284 100 H SER 18 HN SER 18 -7.699 -7.607 -3.734 101 HA SER 18 HA SER 18 -9.379 -8.490 -5.852 102 HB2 SER 18 HB2 SER 18 -11.235 -7.770 -4.278 103 HB3 SER 18 HB1 SER 18 -10.088 -8.945 -3.632 104 HG SER 18 HG SER 18 -9.078 -7.322 -2.474 105 H SER 19 HN SER 19 -8.349 -5.320 -4.824 106 HA SER 19 HA SER 19 -10.491 -4.033 -6.302 107 HB2 SER 19 HB2 SER 19 -9.431 -1.926 -5.433 108 HB3 SER 19 HB1 SER 19 -9.978 -3.049 -4.187 109 HG SER 19 HG SER 19 -8.010 -2.925 -3.485 110 H GLY 20 HN GLY 20 -7.242 -4.974 -6.870 111 HA2 GLY 20 HA2 GLY 20 -5.779 -4.556 -8.595 112 HA3 GLY 20 HA1 GLY 20 -7.160 -3.953 -9.504 113 H ARG 21 HN ARG 21 -5.518 -2.870 -6.549 114 HA ARG 21 HA ARG 21 -5.429 -0.149 -7.721 115 HB2 ARG 21 HB2 ARG 21 -6.129 -1.096 -4.966 116 HB3 ARG 21 HB1 ARG 21 -5.427 0.501 -5.178 117 HG2 ARG 21 HG2 ARG 21 -7.261 1.141 -6.629 118 HG3 ARG 21 HG1 ARG 21 -7.949 -0.480 -6.504 119 HD2 ARG 21 HD2 ARG 21 -9.020 1.220 -5.013 120 HD3 ARG 21 HD1 ARG 21 -8.387 -0.196 -4.176 121 HE ARG 21 HE ARG 21 -6.354 1.601 -4.043 122 HH11 ARG 21 HH11 ARG 21 -9.755 1.792 -3.201 123 HH12 ARG 21 HH12 ARG 21 -9.482 2.860 -1.851 124 HH21 ARG 21 HH21 ARG 21 -6.009 2.992 -2.256 125 HH22 ARG 21 HH22 ARG 21 -7.364 3.519 -1.298 126 H VAL 22 HN VAL 22 -3.592 1.140 -7.297 127 HA VAL 22 HA VAL 22 -1.256 -0.355 -6.418 128 HB VAL 22 HB VAL 22 -0.101 1.943 -6.906 129 HG11 VAL 22 HG11 VAL 22 0.217 -0.116 -8.196 130 HG12 VAL 22 HG12 VAL 22 0.137 1.288 -9.260 131 HG13 VAL 22 HG13 VAL 22 -1.257 0.217 -9.105 132 HG21 VAL 22 HG21 VAL 22 -2.677 2.217 -8.467 133 HG22 VAL 22 HG22 VAL 22 -1.255 3.247 -8.634 134 HG23 VAL 22 HG23 VAL 22 -2.165 3.238 -7.123 135 H TYR 23 HN TYR 23 -1.554 -0.615 -4.233 136 HA TYR 23 HA TYR 23 -2.032 1.745 -2.590 137 HB2 TYR 23 HB2 TYR 23 -2.515 0.326 -0.808 138 HB3 TYR 23 HB1 TYR 23 -3.161 -0.519 -2.200 139 HD1 TYR 23 HD2 TYR 23 -2.112 -2.592 -2.982 140 HD2 TYR 23 HD1 TYR 23 -0.685 -0.582 0.480 141 HE1 TYR 23 HE2 TYR 23 -0.941 -4.629 -2.295 142 HE2 TYR 23 HE1 TYR 23 0.496 -2.617 1.178 143 HH TYR 23 HH TYR 23 0.352 -5.042 0.824 144 H TYR 24 HN TYR 24 -0.564 2.365 -0.891 145 HA TYR 24 HA TYR 24 2.194 1.954 -1.725 146 HB2 TYR 24 HB2 TYR 24 0.888 3.879 0.196 147 HB3 TYR 24 HB1 TYR 24 2.633 3.721 0.073 148 HD1 TYR 24 HD2 TYR 24 3.582 3.970 -2.391 149 HD2 TYR 24 HD1 TYR 24 -0.172 5.478 -1.074 150 HE1 TYR 24 HE2 TYR 24 3.622 5.636 -4.194 151 HE2 TYR 24 HE1 TYR 24 -0.143 7.141 -2.880 152 HH TYR 24 HH TYR 24 1.496 8.277 -4.311 153 H PHE 25 HN PHE 25 3.114 0.188 -0.895 154 HA PHE 25 HA PHE 25 2.744 -0.452 1.951 155 HB2 PHE 25 HB2 PHE 25 2.471 -2.335 0.379 156 HB3 PHE 25 HB1 PHE 25 4.054 -2.013 -0.311 157 HD1 PHE 25 HD2 PHE 25 6.037 -2.101 1.445 158 HD2 PHE 25 HD1 PHE 25 2.272 -4.045 1.954 159 HE1 PHE 25 HE2 PHE 25 7.059 -3.660 3.022 160 HE2 PHE 25 HE1 PHE 25 3.312 -5.605 3.546 161 HZ PHE 25 HZ PHE 25 5.720 -5.403 4.072 162 H ASN 26 HN ASN 26 4.523 -0.209 3.374 163 HA ASN 26 HA ASN 26 7.150 0.019 2.153 164 HB2 ASN 26 HB2 ASN 26 6.099 2.367 2.451 165 HB3 ASN 26 HB1 ASN 26 6.422 2.118 4.164 166 HD21 ASN 26 HD21 ASN 26 8.495 0.748 1.711 167 HD22 ASN 26 HD22 ASN 26 9.823 1.829 1.977 168 H HIS 27 HN HIS 27 8.382 -1.383 3.188 169 HA HIS 27 HA HIS 27 7.519 -2.312 5.789 170 HB2 HIS 27 HB2 HIS 27 9.597 -3.894 5.444 171 HB3 HIS 27 HB1 HIS 27 8.076 -4.183 4.614 172 HD1 HIS 27 HD1 HIS 27 11.586 -2.949 3.992 173 HD2 HIS 27 HD2 HIS 27 8.171 -4.080 1.903 174 HE1 HIS 27 HE1 HIS 27 12.268 -3.017 1.569 175 HE2 HIS 27 HE2 HIS 27 10.108 -3.390 0.318 176 H ILE 28 HN ILE 28 9.444 0.233 4.963 177 HA ILE 28 HA ILE 28 11.408 -0.097 7.010 178 HB ILE 28 HB ILE 28 11.935 2.222 6.843 179 HG12 ILE 28 HG12 ILE 28 9.526 2.737 5.087 180 HG13 ILE 28 HG11 ILE 28 9.490 2.990 6.834 181 HG21 ILE 28 HG21 ILE 28 12.285 2.498 4.424 182 HG22 ILE 28 HG22 ILE 28 11.177 1.157 4.132 183 HG23 ILE 28 HG23 ILE 28 12.690 0.878 4.994 184 HD11 ILE 28 HD11 ILE 28 11.312 4.604 6.627 185 HD12 ILE 28 HD12 ILE 28 9.918 5.060 5.646 186 HD13 ILE 28 HD13 ILE 28 11.337 4.345 4.883 187 H THR 29 HN THR 29 8.215 1.419 6.852 188 HA THR 29 HA THR 29 8.038 1.531 9.747 189 HB THR 29 HB THR 29 5.855 2.032 7.711 190 HG1 THR 29 HG1 THR 29 7.204 4.168 8.917 191 HG21 THR 29 HG21 THR 29 5.055 1.724 10.001 192 HG22 THR 29 HG22 THR 29 4.861 3.400 9.491 193 HG23 THR 29 HG23 THR 29 6.182 2.955 10.572 194 H ASN 30 HN ASN 30 7.366 -0.572 7.146 195 HA ASN 30 HA ASN 30 6.595 -2.710 6.979 196 HB2 ASN 30 HB2 ASN 30 7.688 -2.933 9.288 197 HB3 ASN 30 HB1 ASN 30 6.088 -2.673 9.968 198 HD21 ASN 30 HD21 ASN 30 8.142 -4.848 8.208 199 HD22 ASN 30 HD22 ASN 30 7.126 -6.241 8.350 200 H ALA 31 HN ALA 31 4.983 -0.138 7.260 201 HA ALA 31 HA ALA 31 2.355 -1.148 7.987 202 HB1 ALA 31 HB1 ALA 31 1.613 1.155 7.731 203 HB2 ALA 31 HB2 ALA 31 3.190 1.607 7.083 204 HB3 ALA 31 HB3 ALA 31 3.044 1.082 8.760 205 H SER 32 HN SER 32 0.606 -1.163 6.584 206 HA SER 32 HA SER 32 1.270 -1.096 3.718 207 HB2 SER 32 HB2 SER 32 0.752 -3.370 4.668 208 HB3 SER 32 HB1 SER 32 -0.857 -2.777 5.076 209 HG SER 32 HG SER 32 -0.374 -3.927 2.935 210 H GLN 33 HN GLN 33 0.400 0.725 2.844 211 HA GLN 33 HA GLN 33 -2.102 1.699 4.051 212 HB2 GLN 33 HB2 GLN 33 0.179 3.443 3.126 213 HB3 GLN 33 HB1 GLN 33 -1.298 3.971 3.921 214 HG2 GLN 33 HG2 GLN 33 0.783 2.191 5.172 215 HG3 GLN 33 HG1 GLN 33 0.687 3.934 5.400 216 HE21 GLN 33 HE21 GLN 33 -2.216 3.960 5.472 217 HE22 GLN 33 HE22 GLN 33 -2.667 3.297 7.004 218 H TRP 34 HN TRP 34 -3.458 1.055 2.436 219 HA TRP 34 HA TRP 34 -3.268 1.887 -0.286 220 HB2 TRP 34 HB2 TRP 34 -5.708 1.406 1.464 221 HB3 TRP 34 HB1 TRP 34 -5.737 1.588 -0.293 222 HD1 TRP 34 HD1 TRP 34 -3.167 -0.642 1.522 223 HE1 TRP 34 HE1 TRP 34 -3.624 -3.073 0.835 224 HE3 TRP 34 HE3 TRP 34 -7.409 0.094 -1.157 225 HZ2 TRP 34 HZ2 TRP 34 -5.575 -4.504 -0.621 226 HZ3 TRP 34 HZ3 TRP 34 -8.548 -1.852 -2.149 227 HH2 TRP 34 HH2 TRP 34 -7.636 -4.098 -1.881 228 H GLU 35 HN GLU 35 -4.586 3.112 2.650 229 HA GLU 35 HA GLU 35 -5.582 5.569 1.672 230 HB2 GLU 35 HB2 GLU 35 -5.850 6.070 4.052 231 HB3 GLU 35 HB1 GLU 35 -6.361 4.404 3.715 232 HG2 GLU 35 HG2 GLU 35 -4.235 3.580 4.556 233 HG3 GLU 35 HG1 GLU 35 -3.707 5.228 4.887 234 H ARG 36 HN ARG 36 -4.569 7.667 1.948 235 HA ARG 36 HA ARG 36 -1.965 7.401 0.849 236 HB2 ARG 36 HB2 ARG 36 -3.503 9.032 -0.043 237 HB3 ARG 36 HB1 ARG 36 -3.606 9.846 1.511 238 HG2 ARG 36 HG2 ARG 36 -1.464 10.741 1.321 239 HG3 ARG 36 HG1 ARG 36 -0.996 9.589 0.070 240 HD2 ARG 36 HD2 ARG 36 -1.427 11.929 -0.736 241 HD3 ARG 36 HD1 ARG 36 -2.341 10.667 -1.556 242 HE ARG 36 HE ARG 36 -4.307 11.417 -0.498 243 HH11 ARG 36 HH11 ARG 36 -1.517 13.366 0.383 244 HH12 ARG 36 HH12 ARG 36 -2.475 14.726 0.877 245 HH21 ARG 36 HH21 ARG 36 -5.555 13.231 0.142 246 HH22 ARG 36 HH22 ARG 36 -4.750 14.655 0.743 247 HA PRO 37 HA PRO 37 0.489 7.702 4.575 248 HB2 PRO 37 HB2 PRO 37 2.815 8.438 3.231 249 HB3 PRO 37 HB1 PRO 37 2.314 6.775 3.533 250 HG2 PRO 37 HG2 PRO 37 2.055 8.422 1.072 251 HG3 PRO 37 HG1 PRO 37 2.337 6.681 1.242 252 HD2 PRO 37 HD2 PRO 37 -0.055 7.699 0.532 253 HD3 PRO 37 HD1 PRO 37 0.093 6.218 1.497 254 H SER 38 HN SER 38 0.806 10.099 2.012 255 HA SER 38 HA SER 38 0.131 12.356 3.452 256 HB2 SER 38 HB2 SER 38 2.233 11.849 4.740 257 HB3 SER 38 HB1 SER 38 3.146 12.039 3.244 258 HG SER 38 HG SER 38 2.907 13.927 4.752 259 H GLY 39 HN GLY 39 3.065 12.135 1.508 260 HA2 GLY 39 HA2 GLY 39 2.037 12.158 -1.046 261 HA3 GLY 39 HA1 GLY 39 2.049 13.842 -0.526 262 H1 ARG 208 HT1 ARG 208 -2.372 -15.265 2.033 263 H2 ARG 208 HT2 ARG 208 -3.312 -15.884 0.765 264 H3 ARG 208 HT3 ARG 208 -4.055 -15.053 2.041 265 HA ARG 208 HA ARG 208 -2.132 -13.854 0.133 266 HB2 ARG 208 HB2 ARG 208 -4.066 -12.703 -0.825 267 HB3 ARG 208 HB1 ARG 208 -4.269 -14.444 -0.946 268 HG2 ARG 208 HG2 ARG 208 -5.681 -14.311 1.137 269 HG3 ARG 208 HG1 ARG 208 -5.630 -12.556 0.954 270 HD2 ARG 208 HD2 ARG 208 -7.657 -13.483 -0.031 271 HD3 ARG 208 HD1 ARG 208 -6.629 -12.752 -1.263 272 HE ARG 208 HE ARG 208 -5.965 -15.450 -1.139 273 HH11 ARG 208 HH11 ARG 208 -8.767 -13.509 -1.931 274 HH12 ARG 208 HH12 ARG 208 -9.389 -14.646 -3.091 275 HH21 ARG 208 HH21 ARG 208 -6.749 -16.932 -2.684 276 HH22 ARG 208 HH22 ARG 208 -8.240 -16.600 -3.519 277 H ILE 209 HN ILE 209 -1.812 -11.598 0.438 278 HA ILE 209 HA ILE 209 -2.674 -10.640 3.099 279 HB ILE 209 HB ILE 209 -0.192 -9.598 1.731 280 HG12 ILE 209 HG12 ILE 209 -0.310 -11.901 3.708 281 HG13 ILE 209 HG11 ILE 209 0.026 -12.077 1.989 282 HG21 ILE 209 HG21 ILE 209 -1.093 -9.699 4.609 283 HG22 ILE 209 HG22 ILE 209 -1.130 -8.290 3.549 284 HG23 ILE 209 HG23 ILE 209 0.415 -8.995 4.023 285 HD11 ILE 209 HD11 ILE 209 2.041 -10.727 2.248 286 HD12 ILE 209 HD12 ILE 209 2.066 -12.147 3.294 287 HD13 ILE 209 HD13 ILE 209 1.704 -10.559 3.971 288 H SEP 210 HN SEP 210 -4.571 -9.616 2.137 289 HA SEP 210 HA SEP 210 -3.661 -7.021 1.154 290 HB2 SEP 210 HB2 SEP 210 -5.352 -6.646 -0.256 291 HB3 SEP 210 HB1 SEP 210 -4.757 -8.261 -0.699 292 HA PRO 211 HA PRO 211 -5.658 -5.195 4.555 293 HB2 PRO 211 HB2 PRO 211 -4.899 -2.844 2.950 294 HB3 PRO 211 HB1 PRO 211 -4.266 -3.330 4.529 295 HG2 PRO 211 HG2 PRO 211 -2.744 -3.428 2.353 296 HG3 PRO 211 HG1 PRO 211 -2.673 -4.742 3.549 297 HD2 PRO 211 HD2 PRO 211 -4.230 -4.669 0.974 298 HD3 PRO 211 HD1 PRO 211 -3.162 -5.906 1.548 299 HA PRO 212 HA PRO 212 -9.596 -3.959 2.925 300 HB2 PRO 212 HB2 PRO 212 -10.624 -4.044 5.445 301 HB3 PRO 212 HB1 PRO 212 -10.444 -5.491 4.445 302 HG2 PRO 212 HG2 PRO 212 -8.588 -4.453 6.577 303 HG3 PRO 212 HG1 PRO 212 -9.195 -6.105 6.354 304 HD2 PRO 212 HD2 PRO 212 -6.775 -5.282 5.594 305 HD3 PRO 212 HD1 PRO 212 -7.670 -6.470 4.647 306 H LEU 213 HN LEU 213 -9.098 -1.777 2.426 307 HA LEU 213 HA LEU 213 -9.076 0.090 4.709 308 HB2 LEU 213 HB2 LEU 213 -7.160 -0.082 2.431 309 HB3 LEU 213 HB1 LEU 213 -7.657 1.536 2.923 310 HG LEU 213 HG LEU 213 -6.666 1.343 5.017 311 HD11 LEU 213 HD11 LEU 213 -7.458 -0.877 5.665 312 HD12 LEU 213 HD12 LEU 213 -5.729 -0.700 5.967 313 HD13 LEU 213 HD13 LEU 213 -6.292 -1.610 4.565 314 HD21 LEU 213 HD21 LEU 213 -4.942 -0.052 3.010 315 HD22 LEU 213 HD22 LEU 213 -4.360 0.556 4.562 316 HD23 LEU 213 HD23 LEU 213 -5.010 1.677 3.366 317 HA PRO 214 HA PRO 214 -12.513 1.684 2.560 318 HB2 PRO 214 HB2 PRO 214 -13.029 3.798 4.151 319 HB3 PRO 214 HB1 PRO 214 -13.290 2.128 4.668 320 HG2 PRO 214 HG2 PRO 214 -11.109 4.015 5.384 321 HG3 PRO 214 HG1 PRO 214 -11.848 2.728 6.349 322 HD2 PRO 214 HD2 PRO 214 -9.402 2.581 4.988 323 HD3 PRO 214 HD1 PRO 214 -10.308 1.211 5.648 324 H PHE 215 HN PHE 215 -9.550 3.309 2.614 325 HA PHE 215 HA PHE 215 -10.601 5.582 1.080 326 HB2 PHE 215 HB2 PHE 215 -7.869 5.307 2.346 327 HB3 PHE 215 HB1 PHE 215 -8.563 6.759 1.638 328 HD1 PHE 215 HD1 PHE 215 -10.850 7.516 2.719 329 HD2 PHE 215 HD2 PHE 215 -7.945 5.059 4.625 330 HE1 PHE 215 HE1 PHE 215 -11.753 8.157 4.916 331 HE2 PHE 215 HE2 PHE 215 -8.844 5.695 6.821 332 HZ PHE 215 HZ PHE 215 -10.752 7.242 6.969 Start of MODEL 6 1 H1 LEU 7 HT1 LEU 7 9.357 10.419 -2.363 2 H2 LEU 7 HT2 LEU 7 10.112 11.335 -1.159 3 H3 LEU 7 HT3 LEU 7 8.474 11.590 -1.507 4 HA LEU 7 HA LEU 7 8.621 10.348 0.502 5 HB2 LEU 7 HB2 LEU 7 7.859 8.626 -1.866 6 HB3 LEU 7 HB1 LEU 7 7.458 8.250 -0.202 7 HG LEU 7 HG LEU 7 6.492 10.675 -1.715 8 HD11 LEU 7 HD11 LEU 7 5.515 8.606 -2.558 9 HD12 LEU 7 HD12 LEU 7 4.321 9.563 -1.680 10 HD13 LEU 7 HD13 LEU 7 5.054 8.151 -0.918 11 HD21 LEU 7 HD21 LEU 7 5.007 10.988 0.203 12 HD22 LEU 7 HD22 LEU 7 6.703 11.079 0.683 13 HD23 LEU 7 HD23 LEU 7 5.768 9.621 1.016 14 HA PRO 8 HA PRO 8 12.166 7.784 1.322 15 HB2 PRO 8 HB2 PRO 8 10.227 6.059 2.784 16 HB3 PRO 8 HB1 PRO 8 11.736 6.781 3.348 17 HG2 PRO 8 HG2 PRO 8 9.394 7.776 4.115 18 HG3 PRO 8 HG1 PRO 8 10.757 8.847 3.737 19 HD2 PRO 8 HD2 PRO 8 8.337 8.206 2.106 20 HD3 PRO 8 HD1 PRO 8 9.193 9.750 2.295 21 HA PRO 9 HA PRO 9 12.159 4.613 -1.794 22 HB2 PRO 9 HB2 PRO 9 13.928 3.246 0.183 23 HB3 PRO 9 HB1 PRO 9 14.174 3.515 -1.547 24 HG2 PRO 9 HG2 PRO 9 15.448 5.005 0.242 25 HG3 PRO 9 HG1 PRO 9 14.806 5.725 -1.246 26 HD2 PRO 9 HD2 PRO 9 13.773 5.902 1.545 27 HD3 PRO 9 HD1 PRO 9 13.727 7.108 0.243 28 H GLY 10 HN GLY 10 11.574 3.911 1.572 29 HA2 GLY 10 HA2 GLY 10 10.737 1.241 1.356 30 HA3 GLY 10 HA1 GLY 10 10.301 2.345 2.646 31 H TRP 11 HN TRP 11 9.142 4.039 0.206 32 HA TRP 11 HA TRP 11 6.496 2.817 0.359 33 HB2 TRP 11 HB2 TRP 11 7.487 5.470 -0.685 34 HB3 TRP 11 HB1 TRP 11 5.874 4.891 -1.063 35 HD1 TRP 11 HD1 TRP 11 7.853 6.578 1.636 36 HE1 TRP 11 HE1 TRP 11 6.327 7.194 3.597 37 HE3 TRP 11 HE3 TRP 11 3.712 3.948 0.250 38 HZ2 TRP 11 HZ2 TRP 11 3.713 6.619 4.456 39 HZ3 TRP 11 HZ3 TRP 11 1.743 4.024 1.710 40 HH2 TRP 11 HH2 TRP 11 1.736 5.336 3.768 41 H GLU 12 HN GLU 12 6.104 1.247 -1.022 42 HA GLU 12 HA GLU 12 7.023 1.510 -3.817 43 HB2 GLU 12 HB2 GLU 12 6.172 -1.028 -2.408 44 HB3 GLU 12 HB1 GLU 12 6.932 -0.890 -3.987 45 HG2 GLU 12 HG2 GLU 12 8.992 -0.123 -2.953 46 HG3 GLU 12 HG1 GLU 12 8.238 -0.210 -1.362 47 H LYS 13 HN LYS 13 5.477 1.443 -5.412 48 HA LYS 13 HA LYS 13 2.729 1.321 -4.494 49 HB2 LYS 13 HB2 LYS 13 3.889 2.008 -7.188 50 HB3 LYS 13 HB1 LYS 13 2.160 1.972 -6.837 51 HG2 LYS 13 HG2 LYS 13 2.672 3.584 -4.954 52 HG3 LYS 13 HG1 LYS 13 4.261 3.770 -5.686 53 HD2 LYS 13 HD2 LYS 13 2.652 5.513 -6.323 54 HD3 LYS 13 HD1 LYS 13 3.297 4.627 -7.709 55 HE2 LYS 13 HE2 LYS 13 0.864 3.446 -6.641 56 HE3 LYS 13 HE1 LYS 13 0.627 5.119 -7.144 57 HZ1 LYS 13 HZ1 LYS 13 1.564 2.837 -8.795 58 HZ2 LYS 13 HZ2 LYS 13 1.728 4.448 -9.291 59 HZ3 LYS 13 HZ3 LYS 13 0.190 3.803 -9.017 60 H ARG 14 HN ARG 14 2.095 -0.565 -4.092 61 HA ARG 14 HA ARG 14 2.908 -2.836 -5.759 62 HB2 ARG 14 HB2 ARG 14 3.636 -2.763 -3.371 63 HB3 ARG 14 HB1 ARG 14 1.952 -2.770 -2.883 64 HG2 ARG 14 HG2 ARG 14 2.850 -4.974 -2.647 65 HG3 ARG 14 HG1 ARG 14 1.699 -4.978 -3.986 66 HD2 ARG 14 HD2 ARG 14 3.756 -6.234 -4.507 67 HD3 ARG 14 HD1 ARG 14 3.504 -4.869 -5.591 68 HE ARG 14 HE ARG 14 5.174 -4.182 -3.380 69 HH11 ARG 14 HH11 ARG 14 5.148 -5.748 -6.513 70 HH12 ARG 14 HH12 ARG 14 6.847 -5.507 -6.789 71 HH21 ARG 14 HH21 ARG 14 7.404 -3.810 -3.753 72 HH22 ARG 14 HH22 ARG 14 8.119 -4.362 -5.249 73 H MET 15 HN MET 15 1.293 -4.449 -6.234 74 HA MET 15 HA MET 15 -1.274 -3.168 -6.723 75 HB2 MET 15 HB2 MET 15 -0.147 -5.806 -7.679 76 HB3 MET 15 HB1 MET 15 -1.699 -5.138 -8.166 77 HG2 MET 15 HG2 MET 15 -0.615 -3.279 -9.240 78 HG3 MET 15 HG1 MET 15 0.961 -3.817 -8.658 79 HE1 MET 15 HE1 MET 15 0.700 -6.968 -9.006 80 HE2 MET 15 HE2 MET 15 2.144 -6.062 -9.463 81 HE3 MET 15 HE3 MET 15 1.410 -7.190 -10.605 82 H SER 16 HN SER 16 -3.021 -3.569 -5.593 83 HA SER 16 HA SER 16 -2.938 -5.558 -3.482 84 HB2 SER 16 HB2 SER 16 -5.072 -4.437 -2.771 85 HB3 SER 16 HB1 SER 16 -3.674 -3.367 -2.823 86 HG SER 16 HG SER 16 -4.422 -2.476 -4.694 87 H ARG 17 HN ARG 17 -4.112 -7.309 -3.388 88 HA ARG 17 HA ARG 17 -4.835 -8.472 -5.852 89 HB2 ARG 17 HB2 ARG 17 -3.796 -9.514 -3.755 90 HB3 ARG 17 HB1 ARG 17 -5.431 -9.586 -3.134 91 HG2 ARG 17 HG2 ARG 17 -6.110 -10.940 -5.074 92 HG3 ARG 17 HG1 ARG 17 -4.433 -10.946 -5.625 93 HD2 ARG 17 HD2 ARG 17 -3.718 -12.237 -3.832 94 HD3 ARG 17 HD1 ARG 17 -5.139 -11.844 -2.862 95 HE ARG 17 HE ARG 17 -5.026 -13.774 -5.074 96 HH11 ARG 17 HH11 ARG 17 -6.763 -12.265 -2.429 97 HH12 ARG 17 HH12 ARG 17 -8.004 -13.489 -2.394 98 HH21 ARG 17 HH21 ARG 17 -6.670 -15.373 -5.040 99 HH22 ARG 17 HH22 ARG 17 -7.947 -15.252 -3.866 100 H SER 18 HN SER 18 -6.728 -7.216 -3.165 101 HA SER 18 HA SER 18 -9.076 -8.650 -3.815 102 HB2 SER 18 HB2 SER 18 -10.074 -6.819 -2.216 103 HB3 SER 18 HB1 SER 18 -8.982 -8.056 -1.591 104 HG SER 18 HG SER 18 -7.769 -6.469 -0.972 105 H SER 19 HN SER 19 -8.515 -5.117 -4.004 106 HA SER 19 HA SER 19 -10.817 -4.926 -5.772 107 HB2 SER 19 HB2 SER 19 -10.410 -3.344 -3.827 108 HB3 SER 19 HB1 SER 19 -9.106 -2.646 -4.783 109 HG SER 19 HG SER 19 -11.602 -1.960 -4.862 110 H GLY 20 HN GLY 20 -7.509 -5.345 -6.164 111 HA2 GLY 20 HA2 GLY 20 -6.152 -5.257 -8.023 112 HA3 GLY 20 HA1 GLY 20 -7.595 -4.930 -8.979 113 H ARG 21 HN ARG 21 -5.572 -3.307 -6.542 114 HA ARG 21 HA ARG 21 -5.731 -0.840 -8.154 115 HB2 ARG 21 HB2 ARG 21 -7.526 -0.799 -6.445 116 HB3 ARG 21 HB1 ARG 21 -6.321 -1.022 -5.189 117 HG2 ARG 21 HG2 ARG 21 -7.110 1.304 -5.393 118 HG3 ARG 21 HG1 ARG 21 -5.371 1.137 -5.630 119 HD2 ARG 21 HD2 ARG 21 -6.551 2.676 -7.238 120 HD3 ARG 21 HD1 ARG 21 -5.568 1.408 -7.970 121 HE ARG 21 HE ARG 21 -8.212 0.479 -7.728 122 HH11 ARG 21 HH11 ARG 21 -6.433 2.934 -9.489 123 HH12 ARG 21 HH12 ARG 21 -7.402 2.779 -10.926 124 HH21 ARG 21 HH21 ARG 21 -9.483 0.281 -9.593 125 HH22 ARG 21 HH22 ARG 21 -9.145 1.266 -10.983 126 H VAL 22 HN VAL 22 -3.995 0.634 -7.799 127 HA VAL 22 HA VAL 22 -1.630 -0.677 -6.737 128 HB VAL 22 HB VAL 22 -0.459 1.430 -7.619 129 HG11 VAL 22 HG11 VAL 22 -1.910 -0.394 -9.545 130 HG12 VAL 22 HG12 VAL 22 -0.378 -0.739 -8.742 131 HG13 VAL 22 HG13 VAL 22 -0.483 0.570 -9.919 132 HG21 VAL 22 HG21 VAL 22 -2.420 2.869 -7.797 133 HG22 VAL 22 HG22 VAL 22 -3.139 1.770 -8.974 134 HG23 VAL 22 HG23 VAL 22 -1.668 2.653 -9.378 135 H TYR 23 HN TYR 23 -1.487 -0.568 -4.647 136 HA TYR 23 HA TYR 23 -2.191 1.916 -3.259 137 HB2 TYR 23 HB2 TYR 23 -2.700 0.657 -1.341 138 HB3 TYR 23 HB1 TYR 23 -3.334 -0.312 -2.663 139 HD1 TYR 23 HD2 TYR 23 -2.041 -2.347 -3.404 140 HD2 TYR 23 HD1 TYR 23 -1.056 -0.186 0.126 141 HE1 TYR 23 HE2 TYR 23 -0.766 -4.280 -2.580 142 HE2 TYR 23 HE1 TYR 23 0.223 -2.113 0.951 143 HH TYR 23 HH TYR 23 0.335 -4.525 0.632 144 H TYR 24 HN TYR 24 -0.803 2.678 -1.592 145 HA TYR 24 HA TYR 24 1.984 2.302 -2.337 146 HB2 TYR 24 HB2 TYR 24 0.570 4.300 -0.569 147 HB3 TYR 24 HB1 TYR 24 2.317 4.247 -0.751 148 HD1 TYR 24 HD1 TYR 24 -0.842 4.717 -2.671 149 HD2 TYR 24 HD2 TYR 24 3.361 5.338 -2.518 150 HE1 TYR 24 HE1 TYR 24 -1.001 6.225 -4.604 151 HE2 TYR 24 HE2 TYR 24 3.216 6.845 -4.447 152 HH TYR 24 HH TYR 24 0.411 8.194 -5.520 153 H PHE 25 HN PHE 25 2.740 0.485 -1.383 154 HA PHE 25 HA PHE 25 2.219 -0.097 1.432 155 HB2 PHE 25 HB2 PHE 25 2.071 -2.031 0.037 156 HB3 PHE 25 HB1 PHE 25 3.535 -1.609 -0.836 157 HD1 PHE 25 HD1 PHE 25 5.713 -1.993 0.138 158 HD2 PHE 25 HD2 PHE 25 2.173 -3.245 2.148 159 HE1 PHE 25 HE1 PHE 25 7.054 -3.435 1.590 160 HE2 PHE 25 HE2 PHE 25 3.521 -4.676 3.618 161 HZ PHE 25 HZ PHE 25 5.975 -4.770 3.332 162 H ASN 26 HN ASN 26 3.578 0.681 2.954 163 HA ASN 26 HA ASN 26 6.337 1.235 2.088 164 HB2 ASN 26 HB2 ASN 26 6.418 3.175 3.334 165 HB3 ASN 26 HB1 ASN 26 4.712 3.150 2.933 166 HD21 ASN 26 HD21 ASN 26 3.220 2.961 4.521 167 HD22 ASN 26 HD22 ASN 26 3.607 2.921 6.203 168 H HIS 27 HN HIS 27 7.922 0.103 3.040 169 HA HIS 27 HA HIS 27 7.111 -1.579 5.301 170 HB2 HIS 27 HB2 HIS 27 9.394 -2.757 4.700 171 HB3 HIS 27 HB1 HIS 27 7.909 -3.117 3.841 172 HD1 HIS 27 HD1 HIS 27 11.035 -0.967 3.390 173 HD2 HIS 27 HD2 HIS 27 8.073 -2.904 1.198 174 HE1 HIS 27 HE1 HIS 27 11.716 -0.742 0.976 175 HE2 HIS 27 HE2 HIS 27 9.966 -2.006 -0.330 176 H ILE 28 HN ILE 28 8.477 1.320 5.068 177 HA ILE 28 HA ILE 28 10.609 1.017 6.967 178 HB ILE 28 HB ILE 28 8.992 3.533 6.932 179 HG12 ILE 28 HG12 ILE 28 10.662 4.172 4.955 180 HG13 ILE 28 HG11 ILE 28 10.493 2.453 4.598 181 HG21 ILE 28 HG21 ILE 28 11.204 4.567 7.148 182 HG22 ILE 28 HG22 ILE 28 11.948 2.972 7.036 183 HG23 ILE 28 HG23 ILE 28 10.903 3.364 8.401 184 HD11 ILE 28 HD11 ILE 28 8.048 2.745 4.554 185 HD12 ILE 28 HD12 ILE 28 8.887 3.704 3.332 186 HD13 ILE 28 HD13 ILE 28 8.280 4.476 4.798 187 H THR 29 HN THR 29 7.241 2.082 7.142 188 HA THR 29 HA THR 29 7.133 1.525 9.974 189 HB THR 29 HB THR 29 4.865 2.353 8.161 190 HG1 THR 29 HG1 THR 29 6.088 4.275 9.740 191 HG21 THR 29 HG21 THR 29 4.167 1.533 10.361 192 HG22 THR 29 HG22 THR 29 3.893 3.270 10.223 193 HG23 THR 29 HG23 THR 29 5.272 2.667 11.141 194 H ASN 30 HN ASN 30 6.548 -0.021 6.993 195 HA ASN 30 HA ASN 30 5.921 -2.137 6.411 196 HB2 ASN 30 HB2 ASN 30 6.952 -2.764 8.668 197 HB3 ASN 30 HB1 ASN 30 5.323 -2.705 9.327 198 HD21 ASN 30 HD21 ASN 30 7.507 -4.401 7.219 199 HD22 ASN 30 HD22 ASN 30 6.560 -5.838 7.065 200 H ALA 31 HN ALA 31 4.167 0.255 7.002 201 HA ALA 31 HA ALA 31 1.574 -0.975 7.477 202 HB1 ALA 31 HB1 ALA 31 2.292 1.911 6.992 203 HB2 ALA 31 HB2 ALA 31 2.096 1.151 8.571 204 HB3 ALA 31 HB3 ALA 31 0.713 1.302 7.487 205 H SER 32 HN SER 32 0.008 -1.207 5.972 206 HA SER 32 HA SER 32 0.791 -0.746 3.181 207 HB2 SER 32 HB2 SER 32 -1.310 -2.585 4.352 208 HB3 SER 32 HB1 SER 32 -0.891 -2.471 2.645 209 HG SER 32 HG SER 32 1.190 -2.949 4.424 210 H GLN 33 HN GLN 33 -0.047 1.070 2.327 211 HA GLN 33 HA GLN 33 -2.687 1.932 3.307 212 HB2 GLN 33 HB2 GLN 33 -0.353 3.636 2.422 213 HB3 GLN 33 HB1 GLN 33 -1.956 4.255 2.813 214 HG2 GLN 33 HG2 GLN 33 -1.700 3.319 5.101 215 HG3 GLN 33 HG1 GLN 33 -0.042 2.886 4.688 216 HE21 GLN 33 HE21 GLN 33 -1.569 5.797 3.512 217 HE22 GLN 33 HE22 GLN 33 -0.645 6.899 4.468 218 H TRP 34 HN TRP 34 -4.127 1.412 1.776 219 HA TRP 34 HA TRP 34 -3.703 1.615 -1.035 220 HB2 TRP 34 HB2 TRP 34 -6.220 1.721 0.626 221 HB3 TRP 34 HB1 TRP 34 -6.219 1.692 -1.125 222 HD1 TRP 34 HD1 TRP 34 -4.355 -0.534 1.446 223 HE1 TRP 34 HE1 TRP 34 -4.927 -2.973 0.892 224 HE3 TRP 34 HE3 TRP 34 -7.502 0.228 -2.506 225 HZ2 TRP 34 HZ2 TRP 34 -6.483 -4.372 -0.948 226 HZ3 TRP 34 HZ3 TRP 34 -8.481 -1.739 -3.620 227 HH2 TRP 34 HH2 TRP 34 -7.969 -4.008 -2.848 228 H GLU 35 HN GLU 35 -4.851 3.657 1.480 229 HA GLU 35 HA GLU 35 -5.751 5.774 -0.191 230 HB2 GLU 35 HB2 GLU 35 -6.293 6.859 1.864 231 HB3 GLU 35 HB1 GLU 35 -6.626 5.122 2.107 232 HG2 GLU 35 HG2 GLU 35 -4.834 4.861 3.532 233 HG3 GLU 35 HG1 GLU 35 -3.962 6.256 2.898 234 H ARG 36 HN ARG 36 -4.724 7.871 -0.311 235 HA ARG 36 HA ARG 36 -2.041 7.442 -1.122 236 HB2 ARG 36 HB2 ARG 36 -3.574 8.847 -2.387 237 HB3 ARG 36 HB1 ARG 36 -3.709 9.960 -1.035 238 HG2 ARG 36 HG2 ARG 36 -1.471 10.700 -1.313 239 HG3 ARG 36 HG1 ARG 36 -1.120 9.405 -2.458 240 HD2 ARG 36 HD2 ARG 36 -1.485 11.628 -3.520 241 HD3 ARG 36 HD1 ARG 36 -2.568 10.368 -4.098 242 HE ARG 36 HE ARG 36 -4.223 11.387 -2.461 243 HH11 ARG 36 HH11 ARG 36 -1.731 13.234 -4.102 244 HH12 ARG 36 HH12 ARG 36 -2.619 14.730 -4.027 245 HH21 ARG 36 HH21 ARG 36 -5.387 13.361 -2.374 246 HH22 ARG 36 HH22 ARG 36 -4.680 14.797 -3.058 247 HA PRO 37 HA PRO 37 0.200 8.172 2.597 248 HB2 PRO 37 HB2 PRO 37 2.428 9.328 1.303 249 HB3 PRO 37 HB1 PRO 37 2.235 7.625 1.725 250 HG2 PRO 37 HG2 PRO 37 1.804 9.007 -0.866 251 HG3 PRO 37 HG1 PRO 37 2.308 7.340 -0.544 252 HD2 PRO 37 HD2 PRO 37 -0.163 7.936 -1.410 253 HD3 PRO 37 HD1 PRO 37 0.131 6.602 -0.276 254 H SER 38 HN SER 38 0.287 10.767 0.160 255 HA SER 38 HA SER 38 -0.395 12.727 2.166 256 HB2 SER 38 HB2 SER 38 2.249 12.897 0.688 257 HB3 SER 38 HB1 SER 38 1.583 14.147 1.740 258 HG SER 38 HG SER 38 1.568 11.861 3.089 259 H GLY 39 HN GLY 39 -1.619 14.275 1.280 260 HA2 GLY 39 HA2 GLY 39 -1.386 14.744 -1.618 261 HA3 GLY 39 HA1 GLY 39 -2.959 14.544 -0.856 262 H1 ARG 208 HT1 ARG 208 -0.275 -13.558 -1.633 263 H2 ARG 208 HT2 ARG 208 -1.056 -15.047 -1.865 264 H3 ARG 208 HT3 ARG 208 -0.278 -14.718 -0.397 265 HA ARG 208 HA ARG 208 -2.625 -13.248 -1.443 266 HB2 ARG 208 HB2 ARG 208 -3.154 -15.572 -0.836 267 HB3 ARG 208 HB1 ARG 208 -2.432 -15.326 0.746 268 HG2 ARG 208 HG2 ARG 208 -4.163 -13.620 1.224 269 HG3 ARG 208 HG1 ARG 208 -4.918 -14.004 -0.327 270 HD2 ARG 208 HD2 ARG 208 -5.213 -16.319 0.380 271 HD3 ARG 208 HD1 ARG 208 -4.427 -15.960 1.914 272 HE ARG 208 HE ARG 208 -6.870 -14.506 1.212 273 HH11 ARG 208 HH11 ARG 208 -5.183 -16.828 3.225 274 HH12 ARG 208 HH12 ARG 208 -6.508 -17.020 4.341 275 HH21 ARG 208 HH21 ARG 208 -8.622 -14.754 2.688 276 HH22 ARG 208 HH22 ARG 208 -8.463 -15.845 4.032 277 H ILE 209 HN ILE 209 -1.588 -11.279 -0.952 278 HA ILE 209 HA ILE 209 -1.786 -10.628 1.884 279 HB ILE 209 HB ILE 209 0.217 -9.004 1.496 280 HG12 ILE 209 HG12 ILE 209 0.869 -11.158 -0.538 281 HG13 ILE 209 HG11 ILE 209 0.435 -9.498 -0.928 282 HG21 ILE 209 HG21 ILE 209 1.791 -10.714 2.301 283 HG22 ILE 209 HG22 ILE 209 0.633 -11.971 1.871 284 HG23 ILE 209 HG23 ILE 209 0.234 -10.798 3.125 285 HD11 ILE 209 HD11 ILE 209 2.432 -8.713 0.246 286 HD12 ILE 209 HD12 ILE 209 2.829 -9.824 -1.066 287 HD13 ILE 209 HD13 ILE 209 2.868 -10.382 0.608 288 H SEP 210 HN SEP 210 -3.801 -9.619 1.310 289 HA SEP 210 HA SEP 210 -3.203 -6.981 0.234 290 HB2 SEP 210 HB2 SEP 210 -5.252 -6.737 -0.816 291 HB3 SEP 210 HB1 SEP 210 -4.339 -8.043 -1.547 292 HA PRO 211 HA PRO 211 -4.702 -5.243 3.880 293 HB2 PRO 211 HB2 PRO 211 -4.454 -2.859 2.226 294 HB3 PRO 211 HB1 PRO 211 -3.465 -3.347 3.608 295 HG2 PRO 211 HG2 PRO 211 -2.491 -3.263 1.110 296 HG3 PRO 211 HG1 PRO 211 -1.995 -4.533 2.249 297 HD2 PRO 211 HD2 PRO 211 -4.041 -4.697 0.066 298 HD3 PRO 211 HD1 PRO 211 -2.782 -5.805 0.460 299 HA PRO 212 HA PRO 212 -8.757 -3.438 3.431 300 HB2 PRO 212 HB2 PRO 212 -8.666 -2.748 6.065 301 HB3 PRO 212 HB1 PRO 212 -9.130 -4.367 5.524 302 HG2 PRO 212 HG2 PRO 212 -6.444 -3.412 6.487 303 HG3 PRO 212 HG1 PRO 212 -7.330 -4.876 6.952 304 HD2 PRO 212 HD2 PRO 212 -5.318 -4.835 5.200 305 HD3 PRO 212 HD1 PRO 212 -6.680 -5.942 5.006 306 H LEU 213 HN LEU 213 -9.210 -1.166 3.266 307 HA LEU 213 HA LEU 213 -6.859 0.539 3.179 308 HB2 LEU 213 HB2 LEU 213 -9.717 1.376 2.663 309 HB3 LEU 213 HB1 LEU 213 -8.239 2.281 2.242 310 HG LEU 213 HG LEU 213 -7.648 0.237 0.813 311 HD11 LEU 213 HD11 LEU 213 -10.609 -0.265 1.112 312 HD12 LEU 213 HD12 LEU 213 -9.311 -1.317 1.675 313 HD13 LEU 213 HD13 LEU 213 -9.545 -1.051 -0.053 314 HD21 LEU 213 HD21 LEU 213 -8.307 2.393 -0.113 315 HD22 LEU 213 HD22 LEU 213 -10.006 1.930 -0.000 316 HD23 LEU 213 HD23 LEU 213 -8.918 1.051 -1.082 317 HA PRO 214 HA PRO 214 -6.654 1.880 7.196 318 HB2 PRO 214 HB2 PRO 214 -5.835 4.477 6.024 319 HB3 PRO 214 HB1 PRO 214 -4.964 3.412 7.133 320 HG2 PRO 214 HG2 PRO 214 -4.282 3.576 4.551 321 HG3 PRO 214 HG1 PRO 214 -4.208 2.038 5.428 322 HD2 PRO 214 HD2 PRO 214 -6.232 2.994 3.455 323 HD3 PRO 214 HD1 PRO 214 -5.590 1.364 3.693 324 H PHE 215 HN PHE 215 -8.866 3.424 5.090 325 HA PHE 215 HA PHE 215 -9.918 4.994 7.336 326 HB2 PHE 215 HB2 PHE 215 -11.077 6.392 5.594 327 HB3 PHE 215 HB1 PHE 215 -9.323 6.501 5.571 328 HD1 PHE 215 HD1 PHE 215 -8.162 4.793 3.895 329 HD2 PHE 215 HD2 PHE 215 -12.177 6.169 3.595 330 HE1 PHE 215 HE1 PHE 215 -8.154 4.273 1.494 331 HE2 PHE 215 HE2 PHE 215 -12.179 5.649 1.191 332 HZ PHE 215 HZ PHE 215 -10.164 4.700 0.136 Start of MODEL 7 1 H1 LEU 7 HT1 LEU 7 9.980 12.428 -0.462 2 H2 LEU 7 HT2 LEU 7 8.562 12.886 -1.268 3 H3 LEU 7 HT3 LEU 7 9.753 11.998 -2.085 4 HA LEU 7 HA LEU 7 8.186 11.018 0.228 5 HB2 LEU 7 HB2 LEU 7 6.858 11.322 -1.849 6 HB3 LEU 7 HB1 LEU 7 7.998 10.304 -2.706 7 HG LEU 7 HG LEU 7 7.361 8.397 -1.267 8 HD11 LEU 7 HD11 LEU 7 5.381 8.573 0.157 9 HD12 LEU 7 HD12 LEU 7 5.306 10.307 -0.161 10 HD13 LEU 7 HD13 LEU 7 6.677 9.629 0.718 11 HD21 LEU 7 HD21 LEU 7 5.143 8.047 -2.230 12 HD22 LEU 7 HD22 LEU 7 6.253 8.737 -3.415 13 HD23 LEU 7 HD23 LEU 7 5.045 9.761 -2.637 14 HA PRO 8 HA PRO 8 11.742 8.381 0.799 15 HB2 PRO 8 HB2 PRO 8 9.654 6.628 2.004 16 HB3 PRO 8 HB1 PRO 8 11.206 7.151 2.667 17 HG2 PRO 8 HG2 PRO 8 8.939 8.237 3.525 18 HG3 PRO 8 HG1 PRO 8 10.391 9.228 3.294 19 HD2 PRO 8 HD2 PRO 8 7.947 9.021 1.596 20 HD3 PRO 8 HD1 PRO 8 8.962 10.433 1.952 21 HA PRO 9 HA PRO 9 11.421 5.615 -2.717 22 HB2 PRO 9 HB2 PRO 9 13.749 4.337 -1.391 23 HB3 PRO 9 HB1 PRO 9 13.588 4.951 -3.041 24 HG2 PRO 9 HG2 PRO 9 15.013 6.272 -1.206 25 HG3 PRO 9 HG1 PRO 9 14.046 7.128 -2.420 26 HD2 PRO 9 HD2 PRO 9 13.473 6.659 0.473 27 HD3 PRO 9 HD1 PRO 9 13.131 8.082 -0.530 28 H GLY 10 HN GLY 10 11.736 4.628 0.615 29 HA2 GLY 10 HA2 GLY 10 11.318 1.887 0.428 30 HA3 GLY 10 HA1 GLY 10 10.905 2.875 1.817 31 H TRP 11 HN TRP 11 9.066 4.306 -0.385 32 HA TRP 11 HA TRP 11 6.767 2.615 0.205 33 HB2 TRP 11 HB2 TRP 11 7.020 5.389 -0.964 34 HB3 TRP 11 HB1 TRP 11 5.475 4.531 -0.921 35 HD1 TRP 11 HD1 TRP 11 8.118 6.062 1.439 36 HE1 TRP 11 HE1 TRP 11 7.023 6.542 3.707 37 HE3 TRP 11 HE3 TRP 11 3.587 3.871 0.621 38 HZ2 TRP 11 HZ2 TRP 11 4.570 6.051 4.991 39 HZ3 TRP 11 HZ3 TRP 11 1.923 3.914 2.424 40 HH2 TRP 11 HH2 TRP 11 2.404 4.980 4.565 41 H GLU 12 HN GLU 12 6.542 0.972 -1.062 42 HA GLU 12 HA GLU 12 7.461 0.990 -3.824 43 HB2 GLU 12 HB2 GLU 12 6.199 -1.273 -2.257 44 HB3 GLU 12 HB1 GLU 12 7.181 -1.397 -3.710 45 HG2 GLU 12 HG2 GLU 12 8.405 -0.159 -1.310 46 HG3 GLU 12 HG1 GLU 12 8.144 -1.902 -1.305 47 H LYS 13 HN LYS 13 6.103 0.537 -5.571 48 HA LYS 13 HA LYS 13 3.277 1.107 -5.061 49 HB2 LYS 13 HB2 LYS 13 4.625 0.992 -7.743 50 HB3 LYS 13 HB1 LYS 13 3.122 1.799 -7.322 51 HG2 LYS 13 HG2 LYS 13 5.764 2.562 -6.145 52 HG3 LYS 13 HG1 LYS 13 5.154 3.280 -7.640 53 HD2 LYS 13 HD2 LYS 13 3.333 4.260 -6.509 54 HD3 LYS 13 HD1 LYS 13 3.591 3.265 -5.074 55 HE2 LYS 13 HE2 LYS 13 4.390 5.449 -4.574 56 HE3 LYS 13 HE1 LYS 13 5.797 4.408 -4.779 57 HZ1 LYS 13 HZ1 LYS 13 4.719 6.304 -6.802 58 HZ2 LYS 13 HZ2 LYS 13 6.041 5.262 -7.042 59 HZ3 LYS 13 HZ3 LYS 13 6.138 6.504 -5.895 60 H ARG 14 HN ARG 14 2.269 -0.683 -4.546 61 HA ARG 14 HA ARG 14 2.822 -3.157 -6.046 62 HB2 ARG 14 HB2 ARG 14 3.601 -3.254 -3.726 63 HB3 ARG 14 HB1 ARG 14 2.012 -2.780 -3.151 64 HG2 ARG 14 HG2 ARG 14 2.254 -5.113 -2.805 65 HG3 ARG 14 HG1 ARG 14 1.108 -4.886 -4.123 66 HD2 ARG 14 HD2 ARG 14 2.869 -5.374 -5.744 67 HD3 ARG 14 HD1 ARG 14 4.027 -5.577 -4.428 68 HE ARG 14 HE ARG 14 1.702 -7.270 -4.243 69 HH11 ARG 14 HH11 ARG 14 4.963 -6.977 -5.502 70 HH12 ARG 14 HH12 ARG 14 5.200 -8.697 -5.588 71 HH21 ARG 14 HH21 ARG 14 2.045 -9.531 -4.365 72 HH22 ARG 14 HH22 ARG 14 3.561 -10.136 -4.951 73 H MET 15 HN MET 15 1.004 -4.549 -6.450 74 HA MET 15 HA MET 15 -1.396 -2.977 -6.916 75 HB2 MET 15 HB2 MET 15 -0.100 -4.740 -8.499 76 HB3 MET 15 HB1 MET 15 -1.265 -5.822 -7.753 77 HG2 MET 15 HG2 MET 15 -1.953 -3.293 -9.232 78 HG3 MET 15 HG1 MET 15 -2.027 -4.916 -9.904 79 HE1 MET 15 HE1 MET 15 -4.953 -6.561 -7.983 80 HE2 MET 15 HE2 MET 15 -3.227 -6.698 -7.647 81 HE3 MET 15 HE3 MET 15 -3.805 -6.703 -9.313 82 H SER 16 HN SER 16 -3.242 -3.247 -5.921 83 HA SER 16 HA SER 16 -3.234 -4.751 -3.439 84 HB2 SER 16 HB2 SER 16 -5.318 -2.840 -4.479 85 HB3 SER 16 HB1 SER 16 -5.072 -3.347 -2.812 86 HG SER 16 HG SER 16 -3.379 -1.734 -4.408 87 H ARG 17 HN ARG 17 -4.327 -6.513 -3.113 88 HA ARG 17 HA ARG 17 -5.376 -7.942 -5.311 89 HB2 ARG 17 HB2 ARG 17 -4.083 -8.912 -3.413 90 HB3 ARG 17 HB1 ARG 17 -5.468 -8.632 -2.375 91 HG2 ARG 17 HG2 ARG 17 -6.808 -10.148 -3.678 92 HG3 ARG 17 HG1 ARG 17 -5.473 -10.415 -4.800 93 HD2 ARG 17 HD2 ARG 17 -4.144 -11.330 -2.940 94 HD3 ARG 17 HD1 ARG 17 -5.523 -11.104 -1.865 95 HE ARG 17 HE ARG 17 -5.480 -12.947 -4.177 96 HH11 ARG 17 HH11 ARG 17 -6.660 -12.009 -0.999 97 HH12 ARG 17 HH12 ARG 17 -7.539 -13.491 -0.758 98 HH21 ARG 17 HH21 ARG 17 -6.648 -14.898 -3.854 99 HH22 ARG 17 HH22 ARG 17 -7.537 -15.131 -2.379 100 H SER 18 HN SER 18 -6.916 -6.073 -2.808 101 HA SER 18 HA SER 18 -9.407 -7.519 -3.034 102 HB2 SER 18 HB2 SER 18 -8.463 -6.574 -0.869 103 HB3 SER 18 HB1 SER 18 -8.925 -4.982 -1.468 104 HG SER 18 HG SER 18 -11.016 -5.468 -1.248 105 H SER 19 HN SER 19 -8.658 -4.027 -3.299 106 HA SER 19 HA SER 19 -11.125 -3.691 -4.784 107 HB2 SER 19 HB2 SER 19 -10.529 -2.208 -2.868 108 HB3 SER 19 HB1 SER 19 -9.181 -1.585 -3.813 109 HG SER 19 HG SER 19 -10.994 -0.227 -3.962 110 H GLY 20 HN GLY 20 -7.921 -4.261 -5.599 111 HA2 GLY 20 HA2 GLY 20 -6.840 -4.165 -7.651 112 HA3 GLY 20 HA1 GLY 20 -8.313 -3.485 -8.341 113 H ARG 21 HN ARG 21 -5.754 -2.619 -6.049 114 HA ARG 21 HA ARG 21 -6.031 0.198 -6.959 115 HB2 ARG 21 HB2 ARG 21 -5.857 -0.843 -4.139 116 HB3 ARG 21 HB1 ARG 21 -5.561 0.840 -4.550 117 HG2 ARG 21 HG2 ARG 21 -8.118 -0.674 -5.032 118 HG3 ARG 21 HG1 ARG 21 -7.827 0.502 -3.746 119 HD2 ARG 21 HD2 ARG 21 -7.451 2.238 -5.424 120 HD3 ARG 21 HD1 ARG 21 -7.722 1.061 -6.709 121 HE ARG 21 HE ARG 21 -9.837 1.629 -4.744 122 HH11 ARG 21 HH11 ARG 21 -8.661 1.621 -8.048 123 HH12 ARG 21 HH12 ARG 21 -10.210 1.976 -8.746 124 HH21 ARG 21 HH21 ARG 21 -11.887 2.138 -5.669 125 HH22 ARG 21 HH22 ARG 21 -12.041 2.265 -7.400 126 H VAL 22 HN VAL 22 -4.121 1.529 -6.870 127 HA VAL 22 HA VAL 22 -1.652 -0.039 -6.708 128 HB VAL 22 HB VAL 22 -1.720 2.941 -7.121 129 HG11 VAL 22 HG11 VAL 22 0.434 1.917 -6.730 130 HG12 VAL 22 HG12 VAL 22 0.329 2.492 -8.394 131 HG13 VAL 22 HG13 VAL 22 0.158 0.772 -8.042 132 HG21 VAL 22 HG21 VAL 22 -2.106 0.865 -9.288 133 HG22 VAL 22 HG22 VAL 22 -1.846 2.589 -9.548 134 HG23 VAL 22 HG23 VAL 22 -3.311 2.031 -8.742 135 H TYR 23 HN TYR 23 -1.429 -0.499 -4.538 136 HA TYR 23 HA TYR 23 -1.699 1.729 -2.674 137 HB2 TYR 23 HB2 TYR 23 -2.040 0.233 -0.950 138 HB3 TYR 23 HB1 TYR 23 -2.847 -0.531 -2.304 139 HD1 TYR 23 HD2 TYR 23 -1.796 -2.522 -3.380 140 HD2 TYR 23 HD1 TYR 23 -0.265 -0.831 0.206 141 HE1 TYR 23 HE2 TYR 23 -0.633 -4.621 -2.902 142 HE2 TYR 23 HE1 TYR 23 0.917 -2.930 0.697 143 HH TYR 23 HH TYR 23 0.753 -5.331 0.115 144 H TYR 24 HN TYR 24 -0.078 2.328 -1.308 145 HA TYR 24 HA TYR 24 2.614 1.848 -2.333 146 HB2 TYR 24 HB2 TYR 24 1.675 3.736 -0.160 147 HB3 TYR 24 HB1 TYR 24 3.226 3.759 -0.990 148 HD1 TYR 24 HD1 TYR 24 3.252 4.291 -3.466 149 HD2 TYR 24 HD2 TYR 24 -0.175 4.928 -1.026 150 HE1 TYR 24 HE1 TYR 24 2.398 5.900 -5.084 151 HE2 TYR 24 HE2 TYR 24 -1.054 6.526 -2.666 152 HH TYR 24 HH TYR 24 0.197 6.831 -5.794 153 H PHE 25 HN PHE 25 3.417 -0.028 -1.509 154 HA PHE 25 HA PHE 25 3.020 -0.665 1.311 155 HB2 PHE 25 HB2 PHE 25 2.796 -2.593 -0.075 156 HB3 PHE 25 HB1 PHE 25 4.252 -2.202 -0.990 157 HD1 PHE 25 HD2 PHE 25 2.957 -3.599 2.157 158 HD2 PHE 25 HD1 PHE 25 6.425 -2.694 -0.135 159 HE1 PHE 25 HE2 PHE 25 4.328 -4.914 3.709 160 HE2 PHE 25 HE1 PHE 25 7.791 -4.016 1.406 161 HZ PHE 25 HZ PHE 25 6.771 -5.097 3.337 162 H ASN 26 HN ASN 26 4.352 0.302 2.714 163 HA ASN 26 HA ASN 26 7.116 0.837 1.859 164 HB2 ASN 26 HB2 ASN 26 5.997 2.819 2.643 165 HB3 ASN 26 HB1 ASN 26 5.447 1.991 4.102 166 HD21 ASN 26 HD21 ASN 26 8.053 3.594 2.529 167 HD22 ASN 26 HD22 ASN 26 9.115 3.648 3.892 168 H HIS 27 HN HIS 27 8.753 -0.403 2.692 169 HA HIS 27 HA HIS 27 8.027 -2.076 4.992 170 HB2 HIS 27 HB2 HIS 27 10.164 -3.401 4.253 171 HB3 HIS 27 HB1 HIS 27 8.616 -3.660 3.466 172 HD1 HIS 27 HD1 HIS 27 11.845 -1.698 2.873 173 HD2 HIS 27 HD2 HIS 27 8.701 -3.511 0.829 174 HE1 HIS 27 HE1 HIS 27 12.429 -1.504 0.427 175 HE2 HIS 27 HE2 HIS 27 10.494 -2.558 -0.809 176 H ILE 28 HN ILE 28 9.412 0.769 4.819 177 HA ILE 28 HA ILE 28 11.667 0.108 6.519 178 HB ILE 28 HB ILE 28 12.074 2.466 6.837 179 HG12 ILE 28 HG12 ILE 28 9.668 3.088 5.111 180 HG13 ILE 28 HG11 ILE 28 9.637 3.162 6.875 181 HG21 ILE 28 HG21 ILE 28 11.466 1.801 3.966 182 HG22 ILE 28 HG22 ILE 28 12.965 1.472 4.835 183 HG23 ILE 28 HG23 ILE 28 12.484 3.137 4.504 184 HD11 ILE 28 HD11 ILE 28 9.954 5.356 5.889 185 HD12 ILE 28 HD12 ILE 28 11.407 4.789 5.065 186 HD13 ILE 28 HD13 ILE 28 11.370 4.878 6.826 187 H THR 29 HN THR 29 8.500 1.696 6.920 188 HA THR 29 HA THR 29 8.577 1.078 9.762 189 HB THR 29 HB THR 29 7.604 3.228 9.105 190 HG1 THR 29 HG1 THR 29 6.198 1.275 10.484 191 HG21 THR 29 HG21 THR 29 6.703 2.600 6.919 192 HG22 THR 29 HG22 THR 29 5.460 3.333 7.932 193 HG23 THR 29 HG23 THR 29 5.494 1.584 7.704 194 H ASN 30 HN ASN 30 7.776 -0.508 6.935 195 HA ASN 30 HA ASN 30 6.577 -2.354 6.341 196 HB2 ASN 30 HB2 ASN 30 7.854 -3.335 8.270 197 HB3 ASN 30 HB1 ASN 30 6.483 -2.969 9.312 198 HD21 ASN 30 HD21 ASN 30 4.703 -4.280 9.266 199 HD22 ASN 30 HD22 ASN 30 4.611 -5.729 8.325 200 H ALA 31 HN ALA 31 5.087 -0.383 6.040 201 HA ALA 31 HA ALA 31 2.481 -1.123 7.157 202 HB1 ALA 31 HB1 ALA 31 3.228 0.874 8.360 203 HB2 ALA 31 HB2 ALA 31 1.836 1.225 7.336 204 HB3 ALA 31 HB3 ALA 31 3.451 1.719 6.828 205 H SER 32 HN SER 32 1.110 -1.554 5.604 206 HA SER 32 HA SER 32 1.702 -0.748 2.868 207 HB2 SER 32 HB2 SER 32 -0.195 -2.390 2.396 208 HB3 SER 32 HB1 SER 32 1.258 -3.072 3.123 209 HG SER 32 HG SER 32 -0.976 -2.225 4.646 210 H GLN 33 HN GLN 33 0.755 1.048 2.074 211 HA GLN 33 HA GLN 33 -1.795 1.885 3.292 212 HB2 GLN 33 HB2 GLN 33 0.513 3.607 2.395 213 HB3 GLN 33 HB1 GLN 33 -1.058 4.231 2.885 214 HG2 GLN 33 HG2 GLN 33 0.702 2.559 4.660 215 HG3 GLN 33 HG1 GLN 33 0.716 4.321 4.637 216 HE21 GLN 33 HE21 GLN 33 -1.135 1.479 5.442 217 HE22 GLN 33 HE22 GLN 33 -2.294 2.281 6.453 218 H TRP 34 HN TRP 34 -3.213 1.232 1.772 219 HA TRP 34 HA TRP 34 -3.047 1.846 -1.013 220 HB2 TRP 34 HB2 TRP 34 -5.516 1.545 0.733 221 HB3 TRP 34 HB1 TRP 34 -5.477 1.487 -1.028 222 HD1 TRP 34 HD1 TRP 34 -2.987 -0.510 1.146 223 HE1 TRP 34 HE1 TRP 34 -3.482 -3.006 0.789 224 HE3 TRP 34 HE3 TRP 34 -7.140 -0.076 -1.716 225 HZ2 TRP 34 HZ2 TRP 34 -5.424 -4.592 -0.502 226 HZ3 TRP 34 HZ3 TRP 34 -8.303 -2.122 -2.461 227 HH2 TRP 34 HH2 TRP 34 -7.448 -4.328 -1.863 228 H GLU 35 HN GLU 35 -4.398 3.260 1.826 229 HA GLU 35 HA GLU 35 -5.457 5.595 0.637 230 HB2 GLU 35 HB2 GLU 35 -5.868 6.252 2.935 231 HB3 GLU 35 HB1 GLU 35 -6.229 4.523 2.758 232 HG2 GLU 35 HG2 GLU 35 -4.031 3.999 3.736 233 HG3 GLU 35 HG1 GLU 35 -3.733 5.723 3.969 234 H ARG 36 HN ARG 36 -4.548 7.796 1.098 235 HA ARG 36 HA ARG 36 -1.982 7.735 -0.126 236 HB2 ARG 36 HB2 ARG 36 -3.988 9.377 -0.410 237 HB3 ARG 36 HB1 ARG 36 -3.246 10.241 0.929 238 HG2 ARG 36 HG2 ARG 36 -1.200 10.491 -0.355 239 HG3 ARG 36 HG1 ARG 36 -1.917 9.588 -1.692 240 HD2 ARG 36 HD2 ARG 36 -3.775 11.371 -1.605 241 HD3 ARG 36 HD1 ARG 36 -2.623 12.313 -0.660 242 HE ARG 36 HE ARG 36 -1.607 11.289 -3.168 243 HH11 ARG 36 HH11 ARG 36 -3.038 13.990 -1.451 244 HH12 ARG 36 HH12 ARG 36 -2.731 15.132 -2.734 245 HH21 ARG 36 HH21 ARG 36 -1.171 12.779 -4.838 246 HH22 ARG 36 HH22 ARG 36 -1.644 14.446 -4.653 247 HA PRO 37 HA PRO 37 0.621 7.699 3.491 248 HB2 PRO 37 HB2 PRO 37 2.503 9.065 1.632 249 HB3 PRO 37 HB1 PRO 37 2.750 7.610 2.608 250 HG2 PRO 37 HG2 PRO 37 2.373 7.444 -0.025 251 HG3 PRO 37 HG1 PRO 37 1.676 6.245 1.078 252 HD2 PRO 37 HD2 PRO 37 0.350 8.500 -0.354 253 HD3 PRO 37 HD1 PRO 37 -0.266 6.877 0.018 254 H SER 38 HN SER 38 0.302 10.529 1.432 255 HA SER 38 HA SER 38 0.125 12.175 3.842 256 HB2 SER 38 HB2 SER 38 2.379 12.473 2.755 257 HB3 SER 38 HB1 SER 38 1.552 13.049 1.308 258 HG SER 38 HG SER 38 2.104 14.833 2.508 259 H GLY 39 HN GLY 39 -1.922 12.791 3.866 260 HA2 GLY 39 HA2 GLY 39 -3.745 12.538 1.801 261 HA3 GLY 39 HA1 GLY 39 -3.986 13.531 3.227 262 H1 ARG 208 HT1 ARG 208 -3.915 -12.335 0.225 263 H2 ARG 208 HT2 ARG 208 -5.159 -12.750 1.298 264 H3 ARG 208 HT3 ARG 208 -4.548 -13.911 0.225 265 HA ARG 208 HA ARG 208 -3.799 -14.134 2.563 266 HB2 ARG 208 HB2 ARG 208 -2.568 -15.068 0.576 267 HB3 ARG 208 HB1 ARG 208 -1.566 -13.623 0.590 268 HG2 ARG 208 HG2 ARG 208 -0.680 -14.165 2.730 269 HG3 ARG 208 HG1 ARG 208 -1.834 -15.479 2.936 270 HD2 ARG 208 HD2 ARG 208 -0.795 -16.607 0.970 271 HD3 ARG 208 HD1 ARG 208 0.434 -15.341 0.960 272 HE ARG 208 HE ARG 208 0.534 -16.240 3.501 273 HH11 ARG 208 HH11 ARG 208 0.698 -17.877 0.398 274 HH12 ARG 208 HH12 ARG 208 1.632 -19.202 1.019 275 HH21 ARG 208 HH21 ARG 208 1.774 -17.984 4.296 276 HH22 ARG 208 HH22 ARG 208 2.249 -19.267 3.224 277 H ILE 209 HN ILE 209 -1.521 -11.839 1.061 278 HA ILE 209 HA ILE 209 -1.706 -10.272 3.530 279 HB ILE 209 HB ILE 209 0.456 -9.169 2.307 280 HG12 ILE 209 HG12 ILE 209 1.880 -11.221 1.677 281 HG13 ILE 209 HG11 ILE 209 0.358 -12.082 1.495 282 HG21 ILE 209 HG21 ILE 209 0.310 -9.862 4.625 283 HG22 ILE 209 HG22 ILE 209 1.798 -10.464 3.897 284 HG23 ILE 209 HG23 ILE 209 0.437 -11.556 4.155 285 HD11 ILE 209 HD11 ILE 209 1.204 -9.638 -0.042 286 HD12 ILE 209 HD12 ILE 209 -0.327 -10.493 -0.228 287 HD13 ILE 209 HD13 ILE 209 1.188 -11.296 -0.642 288 H SEP 210 HN SEP 210 -3.557 -9.142 2.960 289 HA SEP 210 HA SEP 210 -2.865 -6.753 1.525 290 HB2 SEP 210 HB2 SEP 210 -4.703 -6.608 0.142 291 HB3 SEP 210 HB1 SEP 210 -3.776 -8.051 -0.305 292 HA PRO 211 HA PRO 211 -5.114 -4.819 4.692 293 HB2 PRO 211 HB2 PRO 211 -4.562 -2.513 2.986 294 HB3 PRO 211 HB1 PRO 211 -3.851 -2.902 4.557 295 HG2 PRO 211 HG2 PRO 211 -2.422 -2.938 2.275 296 HG3 PRO 211 HG1 PRO 211 -2.113 -4.096 3.585 297 HD2 PRO 211 HD2 PRO 211 -3.697 -4.513 1.073 298 HD3 PRO 211 HD1 PRO 211 -2.515 -5.548 1.789 299 HA PRO 212 HA PRO 212 -9.094 -3.972 2.954 300 HB2 PRO 212 HB2 PRO 212 -10.108 -3.779 5.475 301 HB3 PRO 212 HB1 PRO 212 -9.879 -5.330 4.655 302 HG2 PRO 212 HG2 PRO 212 -8.064 -3.973 6.641 303 HG3 PRO 212 HG1 PRO 212 -8.600 -5.666 6.610 304 HD2 PRO 212 HD2 PRO 212 -6.216 -4.830 5.743 305 HD3 PRO 212 HD1 PRO 212 -7.062 -6.166 4.953 306 H LEU 213 HN LEU 213 -8.649 -1.867 2.171 307 HA LEU 213 HA LEU 213 -8.846 0.285 4.179 308 HB2 LEU 213 HB2 LEU 213 -6.921 0.007 1.911 309 HB3 LEU 213 HB1 LEU 213 -7.578 1.618 2.191 310 HG LEU 213 HG LEU 213 -6.551 1.824 4.257 311 HD11 LEU 213 HD11 LEU 213 -5.964 -1.127 4.252 312 HD12 LEU 213 HD12 LEU 213 -7.167 -0.312 5.253 313 HD13 LEU 213 HD13 LEU 213 -5.451 0.024 5.486 314 HD21 LEU 213 HD21 LEU 213 -4.902 2.049 2.604 315 HD22 LEU 213 HD22 LEU 213 -4.720 0.299 2.459 316 HD23 LEU 213 HD23 LEU 213 -4.187 1.125 3.927 317 HA PRO 214 HA PRO 214 -12.578 1.325 2.438 318 HB2 PRO 214 HB2 PRO 214 -12.597 4.066 2.525 319 HB3 PRO 214 HB1 PRO 214 -12.828 3.012 3.925 320 HG2 PRO 214 HG2 PRO 214 -10.356 4.423 3.001 321 HG3 PRO 214 HG1 PRO 214 -10.987 4.224 4.646 322 HD2 PRO 214 HD2 PRO 214 -8.969 2.720 3.722 323 HD3 PRO 214 HD1 PRO 214 -10.190 2.060 4.828 324 H PHE 215 HN PHE 215 -9.871 2.295 0.612 325 HA PHE 215 HA PHE 215 -11.370 3.780 -1.361 326 HB2 PHE 215 HB2 PHE 215 -8.483 2.907 -1.235 327 HB3 PHE 215 HB1 PHE 215 -9.164 3.807 -2.587 328 HD1 PHE 215 HD1 PHE 215 -8.443 3.947 1.031 329 HD2 PHE 215 HD2 PHE 215 -9.505 6.133 -2.461 330 HE1 PHE 215 HE1 PHE 215 -8.046 6.052 2.235 331 HE2 PHE 215 HE2 PHE 215 -9.113 8.246 -1.262 332 HZ PHE 215 HZ PHE 215 -8.384 8.207 1.089 Start of MODEL 8 1 H1 LEU 7 HT1 LEU 7 11.647 8.549 1.859 2 H2 LEU 7 HT2 LEU 7 10.893 10.012 2.256 3 H3 LEU 7 HT3 LEU 7 11.224 9.641 0.637 4 HA LEU 7 HA LEU 7 9.466 8.017 2.340 5 HB2 LEU 7 HB2 LEU 7 8.626 10.345 2.173 6 HB3 LEU 7 HB1 LEU 7 8.607 10.187 0.430 7 HG LEU 7 HG LEU 7 7.020 8.230 2.035 8 HD11 LEU 7 HD11 LEU 7 6.475 10.372 3.060 9 HD12 LEU 7 HD12 LEU 7 5.125 9.783 2.089 10 HD13 LEU 7 HD13 LEU 7 6.164 11.066 1.469 11 HD21 LEU 7 HD21 LEU 7 5.523 8.384 0.110 12 HD22 LEU 7 HD22 LEU 7 7.166 8.007 -0.405 13 HD23 LEU 7 HD23 LEU 7 6.538 9.645 -0.591 14 HA PRO 8 HA PRO 8 8.663 7.004 -2.459 15 HB2 PRO 8 HB2 PRO 8 11.106 7.556 -3.785 16 HB3 PRO 8 HB1 PRO 8 9.543 8.339 -4.034 17 HG2 PRO 8 HG2 PRO 8 11.830 9.174 -2.313 18 HG3 PRO 8 HG1 PRO 8 10.701 10.179 -3.246 19 HD2 PRO 8 HD2 PRO 8 10.481 10.010 -0.617 20 HD3 PRO 8 HD1 PRO 8 9.019 9.951 -1.628 21 HA PRO 9 HA PRO 9 12.619 4.082 -2.408 22 HB2 PRO 9 HB2 PRO 9 14.008 4.245 -0.027 23 HB3 PRO 9 HB1 PRO 9 14.518 4.998 -1.543 24 HG2 PRO 9 HG2 PRO 9 12.989 6.201 0.743 25 HG3 PRO 9 HG1 PRO 9 14.373 6.873 -0.147 26 HD2 PRO 9 HD2 PRO 9 11.926 7.701 -0.687 27 HD3 PRO 9 HD1 PRO 9 13.051 7.358 -2.022 28 H GLY 10 HN GLY 10 10.794 4.984 0.457 29 HA2 GLY 10 HA2 GLY 10 10.802 2.202 1.390 30 HA3 GLY 10 HA1 GLY 10 10.302 3.600 2.328 31 H TRP 11 HN TRP 11 8.608 4.742 0.321 32 HA TRP 11 HA TRP 11 6.315 2.968 0.609 33 HB2 TRP 11 HB2 TRP 11 6.558 5.866 -0.214 34 HB3 TRP 11 HB1 TRP 11 5.036 4.983 -0.250 35 HD1 TRP 11 HD1 TRP 11 7.747 5.976 2.361 36 HE1 TRP 11 HE1 TRP 11 6.582 6.347 4.621 37 HE3 TRP 11 HE3 TRP 11 2.993 4.652 1.037 38 HZ2 TRP 11 HZ2 TRP 11 3.990 6.106 5.699 39 HZ3 TRP 11 HZ3 TRP 11 1.229 4.748 2.749 40 HH2 TRP 11 HH2 TRP 11 1.718 5.458 5.030 41 H GLU 12 HN GLU 12 6.078 1.525 -0.903 42 HA GLU 12 HA GLU 12 7.017 2.044 -3.633 43 HB2 GLU 12 HB2 GLU 12 6.224 -0.621 -2.470 44 HB3 GLU 12 HB1 GLU 12 7.228 -0.302 -3.881 45 HG2 GLU 12 HG2 GLU 12 8.925 0.709 -2.365 46 HG3 GLU 12 HG1 GLU 12 7.947 0.168 -1.003 47 H LYS 13 HN LYS 13 5.731 1.538 -5.410 48 HA LYS 13 HA LYS 13 2.877 1.603 -4.889 49 HB2 LYS 13 HB2 LYS 13 4.588 2.085 -7.281 50 HB3 LYS 13 HB1 LYS 13 2.922 1.585 -7.528 51 HG2 LYS 13 HG2 LYS 13 3.862 4.007 -6.033 52 HG3 LYS 13 HG1 LYS 13 3.018 3.963 -7.587 53 HD2 LYS 13 HD2 LYS 13 1.227 2.625 -6.242 54 HD3 LYS 13 HD1 LYS 13 1.982 3.392 -4.846 55 HE2 LYS 13 HE2 LYS 13 0.127 4.709 -5.559 56 HE3 LYS 13 HE1 LYS 13 1.618 5.584 -5.905 57 HZ1 LYS 13 HZ1 LYS 13 0.264 3.939 -7.956 58 HZ2 LYS 13 HZ2 LYS 13 1.446 5.134 -8.183 59 HZ3 LYS 13 HZ3 LYS 13 -0.125 5.567 -7.715 60 H ARG 14 HN ARG 14 1.993 -0.230 -4.427 61 HA ARG 14 HA ARG 14 2.596 -2.585 -6.080 62 HB2 ARG 14 HB2 ARG 14 3.679 -2.701 -3.833 63 HB3 ARG 14 HB1 ARG 14 2.102 -2.552 -3.086 64 HG2 ARG 14 HG2 ARG 14 2.701 -4.845 -3.034 65 HG3 ARG 14 HG1 ARG 14 1.452 -4.671 -4.270 66 HD2 ARG 14 HD2 ARG 14 3.313 -6.125 -4.993 67 HD3 ARG 14 HD1 ARG 14 3.118 -4.703 -6.019 68 HE ARG 14 HE ARG 14 4.993 -4.115 -4.006 69 HH11 ARG 14 HH11 ARG 14 4.710 -6.232 -6.796 70 HH12 ARG 14 HH12 ARG 14 6.402 -6.145 -7.173 71 HH21 ARG 14 HH21 ARG 14 7.204 -4.017 -4.506 72 HH22 ARG 14 HH22 ARG 14 7.822 -4.888 -5.882 73 H MET 15 HN MET 15 0.763 -3.958 -6.438 74 HA MET 15 HA MET 15 -1.720 -2.447 -6.300 75 HB2 MET 15 HB2 MET 15 -1.001 -3.399 -8.462 76 HB3 MET 15 HB1 MET 15 -1.109 -5.014 -7.775 77 HG2 MET 15 HG2 MET 15 -3.467 -4.842 -7.530 78 HG3 MET 15 HG1 MET 15 -3.444 -3.126 -7.931 79 HE1 MET 15 HE1 MET 15 -2.931 -6.781 -9.296 80 HE2 MET 15 HE2 MET 15 -1.400 -5.995 -9.679 81 HE3 MET 15 HE3 MET 15 -2.497 -6.466 -10.976 82 H SER 16 HN SER 16 -3.505 -3.057 -5.263 83 HA SER 16 HA SER 16 -3.273 -5.105 -3.228 84 HB2 SER 16 HB2 SER 16 -5.443 -4.107 -2.451 85 HB3 SER 16 HB1 SER 16 -4.115 -2.950 -2.521 86 HG SER 16 HG SER 16 -6.478 -2.929 -3.832 87 H ARG 17 HN ARG 17 -4.907 -6.687 -2.950 88 HA ARG 17 HA ARG 17 -4.775 -8.146 -5.361 89 HB2 ARG 17 HB2 ARG 17 -4.270 -9.018 -3.105 90 HB3 ARG 17 HB1 ARG 17 -5.971 -8.886 -2.694 91 HG2 ARG 17 HG2 ARG 17 -6.554 -10.518 -4.327 92 HG3 ARG 17 HG1 ARG 17 -4.891 -10.617 -4.905 93 HD2 ARG 17 HD2 ARG 17 -5.247 -12.493 -3.487 94 HD3 ARG 17 HD1 ARG 17 -4.263 -11.347 -2.578 95 HE ARG 17 HE ARG 17 -6.242 -10.733 -1.328 96 HH11 ARG 17 HH11 ARG 17 -6.430 -13.707 -3.189 97 HH12 ARG 17 HH12 ARG 17 -7.799 -14.314 -2.304 98 HH21 ARG 17 HH21 ARG 17 -7.993 -11.526 -0.174 99 HH22 ARG 17 HH22 ARG 17 -8.715 -13.049 -0.603 100 H SER 18 HN SER 18 -7.649 -7.818 -3.227 101 HA SER 18 HA SER 18 -9.287 -8.827 -5.370 102 HB2 SER 18 HB2 SER 18 -10.222 -7.760 -2.705 103 HB3 SER 18 HB1 SER 18 -11.055 -8.900 -3.763 104 HG SER 18 HG SER 18 -8.737 -9.301 -2.190 105 H SER 19 HN SER 19 -8.394 -5.721 -4.264 106 HA SER 19 HA SER 19 -10.738 -4.428 -5.382 107 HB2 SER 19 HB2 SER 19 -9.391 -2.338 -4.642 108 HB3 SER 19 HB1 SER 19 -10.070 -3.397 -3.403 109 HG SER 19 HG SER 19 -8.104 -4.190 -2.958 110 H GLY 20 HN GLY 20 -7.506 -5.206 -6.354 111 HA2 GLY 20 HA2 GLY 20 -6.292 -4.708 -8.250 112 HA3 GLY 20 HA1 GLY 20 -7.828 -4.287 -9.001 113 H ARG 21 HN ARG 21 -6.002 -2.915 -6.286 114 HA ARG 21 HA ARG 21 -6.311 -0.253 -7.562 115 HB2 ARG 21 HB2 ARG 21 -6.862 -1.040 -4.706 116 HB3 ARG 21 HB1 ARG 21 -6.580 0.629 -5.181 117 HG2 ARG 21 HG2 ARG 21 -8.485 0.461 -6.749 118 HG3 ARG 21 HG1 ARG 21 -8.794 -1.168 -6.143 119 HD2 ARG 21 HD2 ARG 21 -9.179 -0.286 -3.910 120 HD3 ARG 21 HD1 ARG 21 -8.794 1.343 -4.470 121 HE ARG 21 HE ARG 21 -10.804 0.738 -6.089 122 HH11 ARG 21 HH11 ARG 21 -10.478 0.345 -2.623 123 HH12 ARG 21 HH12 ARG 21 -12.184 0.416 -2.328 124 HH21 ARG 21 HH21 ARG 21 -13.039 0.900 -5.707 125 HH22 ARG 21 HH22 ARG 21 -13.657 0.731 -4.089 126 H VAL 22 HN VAL 22 -4.674 1.324 -7.052 127 HA VAL 22 HA VAL 22 -2.164 0.022 -6.359 128 HB VAL 22 HB VAL 22 -1.157 2.297 -6.930 129 HG11 VAL 22 HG11 VAL 22 -1.066 0.395 -8.449 130 HG12 VAL 22 HG12 VAL 22 -1.342 1.884 -9.353 131 HG13 VAL 22 HG13 VAL 22 -2.678 0.772 -9.054 132 HG21 VAL 22 HG21 VAL 22 -3.172 3.647 -6.697 133 HG22 VAL 22 HG22 VAL 22 -3.946 2.751 -8.003 134 HG23 VAL 22 HG23 VAL 22 -2.542 3.764 -8.340 135 H TYR 23 HN TYR 23 -1.626 -0.111 -4.346 136 HA TYR 23 HA TYR 23 -2.381 2.045 -2.496 137 HB2 TYR 23 HB2 TYR 23 -2.686 0.505 -0.771 138 HB3 TYR 23 HB1 TYR 23 -3.399 -0.285 -2.165 139 HD1 TYR 23 HD2 TYR 23 -2.245 -2.210 -3.208 140 HD2 TYR 23 HD1 TYR 23 -0.820 -0.435 0.383 141 HE1 TYR 23 HE2 TYR 23 -0.895 -4.219 -2.754 142 HE2 TYR 23 HE1 TYR 23 0.526 -2.444 0.849 143 HH TYR 23 HH TYR 23 0.530 -4.838 0.246 144 H TYR 24 HN TYR 24 -0.824 2.611 -0.874 145 HA TYR 24 HA TYR 24 1.874 2.456 -1.940 146 HB2 TYR 24 HB2 TYR 24 0.701 4.051 0.350 147 HB3 TYR 24 HB1 TYR 24 2.379 4.138 -0.154 148 HD1 TYR 24 HD2 TYR 24 2.536 4.551 -2.868 149 HD2 TYR 24 HD1 TYR 24 -0.598 5.856 -0.287 150 HE1 TYR 24 HE2 TYR 24 2.004 6.362 -4.432 151 HE2 TYR 24 HE1 TYR 24 -1.133 7.665 -1.852 152 HH TYR 24 HH TYR 24 0.011 8.983 -3.600 153 H PHE 25 HN PHE 25 2.854 0.525 -1.319 154 HA PHE 25 HA PHE 25 2.531 -0.380 1.436 155 HB2 PHE 25 HB2 PHE 25 2.476 -2.227 -0.042 156 HB3 PHE 25 HB1 PHE 25 3.848 -1.635 -0.975 157 HD1 PHE 25 HD1 PHE 25 2.853 -3.280 2.197 158 HD2 PHE 25 HD2 PHE 25 6.085 -2.043 -0.287 159 HE1 PHE 25 HE1 PHE 25 4.424 -4.555 3.592 160 HE2 PHE 25 HE2 PHE 25 7.641 -3.329 1.096 161 HZ PHE 25 HZ PHE 25 6.825 -4.564 3.046 162 H ASN 26 HN ASN 26 3.781 0.434 2.935 163 HA ASN 26 HA ASN 26 6.474 1.350 2.212 164 HB2 ASN 26 HB2 ASN 26 5.935 3.153 3.433 165 HB3 ASN 26 HB1 ASN 26 4.361 2.461 3.754 166 HD21 ASN 26 HD21 ASN 26 4.089 3.217 5.753 167 HD22 ASN 26 HD22 ASN 26 5.071 2.793 7.110 168 H HIS 27 HN HIS 27 8.247 0.276 3.017 169 HA HIS 27 HA HIS 27 7.673 -1.692 5.127 170 HB2 HIS 27 HB2 HIS 27 9.753 -2.919 4.307 171 HB3 HIS 27 HB1 HIS 27 8.292 -3.042 3.343 172 HD1 HIS 27 HD1 HIS 27 11.524 -0.988 3.345 173 HD2 HIS 27 HD2 HIS 27 8.685 -2.611 0.769 174 HE1 HIS 27 HE1 HIS 27 12.367 -0.511 1.014 175 HE2 HIS 27 HE2 HIS 27 10.645 -1.517 -0.532 176 H ILE 28 HN ILE 28 9.049 1.240 4.789 177 HA ILE 28 HA ILE 28 11.350 0.792 6.436 178 HB ILE 28 HB ILE 28 11.308 3.241 6.918 179 HG12 ILE 28 HG12 ILE 28 8.781 3.485 6.538 180 HG13 ILE 28 HG11 ILE 28 9.816 4.752 5.904 181 HG21 ILE 28 HG21 ILE 28 12.635 2.362 5.116 182 HG22 ILE 28 HG22 ILE 28 11.966 3.929 4.660 183 HG23 ILE 28 HG23 ILE 28 11.258 2.447 4.017 184 HD11 ILE 28 HD11 ILE 28 8.061 4.189 4.344 185 HD12 ILE 28 HD12 ILE 28 8.590 2.507 4.327 186 HD13 ILE 28 HD13 ILE 28 9.638 3.768 3.678 187 H THR 29 HN THR 29 8.048 1.917 6.998 188 HA THR 29 HA THR 29 8.275 1.363 9.842 189 HB THR 29 HB THR 29 5.753 2.052 8.333 190 HG1 THR 29 HG1 THR 29 7.426 3.985 9.571 191 HG21 THR 29 HG21 THR 29 5.468 1.316 10.649 192 HG22 THR 29 HG22 THR 29 5.085 3.030 10.485 193 HG23 THR 29 HG23 THR 29 6.625 2.534 11.187 194 H ASN 30 HN ASN 30 7.459 -0.212 6.933 195 HA ASN 30 HA ASN 30 6.516 -2.189 6.333 196 HB2 ASN 30 HB2 ASN 30 8.057 -3.174 7.989 197 HB3 ASN 30 HB1 ASN 30 6.871 -2.915 9.263 198 HD21 ASN 30 HD21 ASN 30 5.280 -4.372 9.555 199 HD22 ASN 30 HD22 ASN 30 5.072 -5.802 8.604 200 H ALA 31 HN ALA 31 4.825 -0.426 6.259 201 HA ALA 31 HA ALA 31 2.382 -1.515 7.448 202 HB1 ALA 31 HB1 ALA 31 1.497 0.748 7.763 203 HB2 ALA 31 HB2 ALA 31 3.028 1.429 7.216 204 HB3 ALA 31 HB3 ALA 31 2.962 0.506 8.716 205 H SER 32 HN SER 32 1.014 -2.042 5.885 206 HA SER 32 HA SER 32 1.519 -1.133 3.174 207 HB2 SER 32 HB2 SER 32 -0.356 -2.843 2.714 208 HB3 SER 32 HB1 SER 32 1.178 -3.465 3.321 209 HG SER 32 HG SER 32 -1.020 -2.816 4.990 210 H GLN 33 HN GLN 33 0.696 0.860 2.798 211 HA GLN 33 HA GLN 33 -1.888 1.505 4.042 212 HB2 GLN 33 HB2 GLN 33 0.376 3.338 3.249 213 HB3 GLN 33 HB1 GLN 33 -1.161 3.862 3.934 214 HG2 GLN 33 HG2 GLN 33 0.957 2.204 5.278 215 HG3 GLN 33 HG1 GLN 33 0.480 3.856 5.664 216 HE21 GLN 33 HE21 GLN 33 -1.569 4.211 6.635 217 HE22 GLN 33 HE22 GLN 33 -2.358 2.943 7.511 218 H TRP 34 HN TRP 34 -3.373 1.134 2.507 219 HA TRP 34 HA TRP 34 -3.226 1.992 -0.205 220 HB2 TRP 34 HB2 TRP 34 -5.650 1.658 1.598 221 HB3 TRP 34 HB1 TRP 34 -5.684 1.779 -0.167 222 HD1 TRP 34 HD1 TRP 34 -3.085 -0.489 1.487 223 HE1 TRP 34 HE1 TRP 34 -3.729 -2.924 0.997 224 HE3 TRP 34 HE3 TRP 34 -7.601 0.314 -0.659 225 HZ2 TRP 34 HZ2 TRP 34 -5.909 -4.330 -0.103 226 HZ3 TRP 34 HZ3 TRP 34 -8.946 -1.622 -1.386 227 HH2 TRP 34 HH2 TRP 34 -8.099 -3.894 -1.109 228 H GLU 35 HN GLU 35 -4.320 3.255 2.808 229 HA GLU 35 HA GLU 35 -5.256 5.747 1.831 230 HB2 GLU 35 HB2 GLU 35 -5.562 6.265 4.180 231 HB3 GLU 35 HB1 GLU 35 -6.076 4.589 3.885 232 HG2 GLU 35 HG2 GLU 35 -4.117 3.735 4.907 233 HG3 GLU 35 HG1 GLU 35 -3.369 5.330 4.993 234 H ARG 36 HN ARG 36 -4.049 7.440 1.301 235 HA ARG 36 HA ARG 36 -1.283 6.963 0.924 236 HB2 ARG 36 HB2 ARG 36 -1.298 9.094 -0.262 237 HB3 ARG 36 HB1 ARG 36 -2.692 8.120 -0.719 238 HG2 ARG 36 HG2 ARG 36 -4.076 9.417 0.846 239 HG3 ARG 36 HG1 ARG 36 -2.668 10.405 1.214 240 HD2 ARG 36 HD2 ARG 36 -2.552 11.115 -1.124 241 HD3 ARG 36 HD1 ARG 36 -3.965 10.126 -1.491 242 HE ARG 36 HE ARG 36 -4.402 12.040 0.614 243 HH11 ARG 36 HH11 ARG 36 -4.430 11.576 -2.870 244 HH12 ARG 36 HH12 ARG 36 -5.591 12.851 -3.139 245 HH21 ARG 36 HH21 ARG 36 -5.877 13.698 0.259 246 HH22 ARG 36 HH22 ARG 36 -6.398 14.077 -1.361 247 HA PRO 37 HA PRO 37 0.603 8.959 4.401 248 HB2 PRO 37 HB2 PRO 37 2.914 9.820 3.217 249 HB3 PRO 37 HB1 PRO 37 2.630 8.136 3.675 250 HG2 PRO 37 HG2 PRO 37 2.344 9.444 0.997 251 HG3 PRO 37 HG1 PRO 37 3.055 7.871 1.407 252 HD2 PRO 37 HD2 PRO 37 0.570 8.087 0.401 253 HD3 PRO 37 HD1 PRO 37 0.990 6.847 1.598 254 H SER 38 HN SER 38 0.236 10.671 1.364 255 HA SER 38 HA SER 38 -0.494 13.096 2.689 256 HB2 SER 38 HB2 SER 38 2.038 13.137 2.759 257 HB3 SER 38 HB1 SER 38 2.017 13.189 0.999 258 HG SER 38 HG SER 38 0.368 15.083 1.964 259 H GLY 39 HN GLY 39 0.759 11.833 -0.409 260 HA2 GLY 39 HA2 GLY 39 -1.749 12.518 -1.693 261 HA3 GLY 39 HA1 GLY 39 -0.339 13.398 -2.272 262 H1 ARG 208 HT1 ARG 208 0.734 -11.286 -0.629 263 H2 ARG 208 HT2 ARG 208 1.019 -12.827 -1.270 264 H3 ARG 208 HT3 ARG 208 0.836 -12.628 0.408 265 HA ARG 208 HA ARG 208 -1.244 -12.294 -1.678 266 HB2 ARG 208 HB2 ARG 208 -0.947 -14.211 0.643 267 HB3 ARG 208 HB1 ARG 208 -2.376 -14.086 -0.370 268 HG2 ARG 208 HG2 ARG 208 0.351 -14.791 -1.418 269 HG3 ARG 208 HG1 ARG 208 -0.851 -15.980 -0.914 270 HD2 ARG 208 HD2 ARG 208 -2.427 -14.959 -2.563 271 HD3 ARG 208 HD1 ARG 208 -1.092 -13.962 -3.138 272 HE ARG 208 HE ARG 208 -0.094 -16.475 -3.304 273 HH11 ARG 208 HH11 ARG 208 -3.057 -15.004 -4.452 274 HH12 ARG 208 HH12 ARG 208 -3.182 -16.024 -5.855 275 HH21 ARG 208 HH21 ARG 208 -0.276 -17.863 -5.124 276 HH22 ARG 208 HH22 ARG 208 -1.608 -17.654 -6.224 277 H ILE 209 HN ILE 209 -0.060 -10.672 0.848 278 HA ILE 209 HA ILE 209 -2.357 -10.545 2.588 279 HB ILE 209 HB ILE 209 0.027 -8.665 2.573 280 HG12 ILE 209 HG12 ILE 209 -0.267 -11.293 4.074 281 HG13 ILE 209 HG11 ILE 209 0.768 -11.049 2.670 282 HG21 ILE 209 HG21 ILE 209 -1.905 -9.498 4.744 283 HG22 ILE 209 HG22 ILE 209 -1.861 -7.940 3.917 284 HG23 ILE 209 HG23 ILE 209 -0.523 -8.425 4.959 285 HD11 ILE 209 HD11 ILE 209 2.046 -10.981 4.733 286 HD12 ILE 209 HD12 ILE 209 1.038 -9.659 5.325 287 HD13 ILE 209 HD13 ILE 209 2.078 -9.416 3.922 288 H SEP 210 HN SEP 210 -4.144 -9.266 2.137 289 HA SEP 210 HA SEP 210 -3.374 -6.577 1.279 290 HB2 SEP 210 HB2 SEP 210 -5.065 -6.152 -0.028 291 HB3 SEP 210 HB1 SEP 210 -4.765 -7.850 -0.486 292 HA PRO 211 HA PRO 211 -5.094 -4.972 4.939 293 HB2 PRO 211 HB2 PRO 211 -4.560 -2.538 3.378 294 HB3 PRO 211 HB1 PRO 211 -3.793 -3.064 4.884 295 HG2 PRO 211 HG2 PRO 211 -2.432 -3.026 2.599 296 HG3 PRO 211 HG1 PRO 211 -2.235 -4.384 3.731 297 HD2 PRO 211 HD2 PRO 211 -3.977 -4.246 1.284 298 HD3 PRO 211 HD1 PRO 211 -2.829 -5.485 1.725 299 HA PRO 212 HA PRO 212 -9.202 -3.842 3.730 300 HB2 PRO 212 HB2 PRO 212 -9.938 -3.793 6.355 301 HB3 PRO 212 HB1 PRO 212 -9.832 -5.292 5.420 302 HG2 PRO 212 HG2 PRO 212 -7.762 -4.077 7.247 303 HG3 PRO 212 HG1 PRO 212 -8.361 -5.748 7.222 304 HD2 PRO 212 HD2 PRO 212 -6.072 -4.997 6.119 305 HD3 PRO 212 HD1 PRO 212 -7.085 -6.212 5.333 306 H LEU 213 HN LEU 213 -8.806 -1.698 3.036 307 HA LEU 213 HA LEU 213 -8.833 0.366 5.147 308 HB2 LEU 213 HB2 LEU 213 -6.984 0.164 2.794 309 HB3 LEU 213 HB1 LEU 213 -7.576 1.773 3.210 310 HG LEU 213 HG LEU 213 -6.426 1.838 5.194 311 HD11 LEU 213 HD11 LEU 213 -5.359 -0.074 6.298 312 HD12 LEU 213 HD12 LEU 213 -6.047 -1.143 5.071 313 HD13 LEU 213 HD13 LEU 213 -7.108 -0.268 6.178 314 HD21 LEU 213 HD21 LEU 213 -4.130 1.080 4.724 315 HD22 LEU 213 HD22 LEU 213 -4.879 1.990 3.412 316 HD23 LEU 213 HD23 LEU 213 -4.756 0.233 3.307 317 HA PRO 214 HA PRO 214 -12.364 1.908 3.060 318 HB2 PRO 214 HB2 PRO 214 -12.138 4.594 3.381 319 HB3 PRO 214 HB1 PRO 214 -12.550 3.491 4.698 320 HG2 PRO 214 HG2 PRO 214 -9.904 4.711 4.004 321 HG3 PRO 214 HG1 PRO 214 -10.664 4.517 5.596 322 HD2 PRO 214 HD2 PRO 214 -8.734 2.850 4.702 323 HD3 PRO 214 HD1 PRO 214 -10.047 2.299 5.758 324 H PHE 215 HN PHE 215 -9.302 2.632 1.776 325 HA PHE 215 HA PHE 215 -10.398 4.204 -0.435 326 HB2 PHE 215 HB2 PHE 215 -7.536 3.601 0.336 327 HB3 PHE 215 HB1 PHE 215 -8.013 4.573 -1.052 328 HD1 PHE 215 HD2 PHE 215 -7.985 4.404 2.620 329 HD2 PHE 215 HD1 PHE 215 -8.714 6.833 -0.796 330 HE1 PHE 215 HE2 PHE 215 -8.066 6.389 4.060 331 HE2 PHE 215 HE1 PHE 215 -8.799 8.831 0.637 332 HZ PHE 215 HZ PHE 215 -8.474 8.613 3.071 Start of MODEL 9 1 H1 LEU 7 HT1 LEU 7 7.892 12.795 -1.693 2 H2 LEU 7 HT2 LEU 7 9.357 12.071 -2.146 3 H3 LEU 7 HT3 LEU 7 9.059 12.444 -0.518 4 HA LEU 7 HA LEU 7 7.320 10.836 -0.384 5 HB2 LEU 7 HB2 LEU 7 6.820 11.204 -2.910 6 HB3 LEU 7 HB1 LEU 7 8.025 9.961 -3.177 7 HG LEU 7 HG LEU 7 5.580 9.513 -1.464 8 HD11 LEU 7 HD11 LEU 7 4.597 8.393 -3.414 9 HD12 LEU 7 HD12 LEU 7 5.953 8.939 -4.401 10 HD13 LEU 7 HD13 LEU 7 4.845 10.116 -3.699 11 HD21 LEU 7 HD21 LEU 7 7.471 7.605 -2.840 12 HD22 LEU 7 HD22 LEU 7 6.050 7.155 -1.897 13 HD23 LEU 7 HD23 LEU 7 7.417 7.943 -1.109 14 HA PRO 8 HA PRO 8 11.074 8.757 0.922 15 HB2 PRO 8 HB2 PRO 8 9.118 6.987 2.274 16 HB3 PRO 8 HB1 PRO 8 10.480 7.886 2.952 17 HG2 PRO 8 HG2 PRO 8 7.969 8.677 3.375 18 HG3 PRO 8 HG1 PRO 8 9.269 9.856 3.114 19 HD2 PRO 8 HD2 PRO 8 7.161 8.903 1.211 20 HD3 PRO 8 HD1 PRO 8 7.805 10.542 1.452 21 HA PRO 9 HA PRO 9 11.274 5.645 -2.290 22 HB2 PRO 9 HB2 PRO 9 13.575 4.813 -0.585 23 HB3 PRO 9 HB1 PRO 9 13.503 5.083 -2.331 24 HG2 PRO 9 HG2 PRO 9 14.624 6.887 -0.734 25 HG3 PRO 9 HG1 PRO 9 13.626 7.390 -2.112 26 HD2 PRO 9 HD2 PRO 9 12.969 7.369 0.800 27 HD3 PRO 9 HD1 PRO 9 12.484 8.521 -0.460 28 H GLY 10 HN GLY 10 11.358 4.944 1.157 29 HA2 GLY 10 HA2 GLY 10 11.173 2.158 1.090 30 HA3 GLY 10 HA1 GLY 10 10.573 3.179 2.384 31 H TRP 11 HN TRP 11 8.813 4.416 0.066 32 HA TRP 11 HA TRP 11 6.611 2.543 0.445 33 HB2 TRP 11 HB2 TRP 11 6.737 5.296 -0.799 34 HB3 TRP 11 HB1 TRP 11 5.275 4.321 -0.747 35 HD1 TRP 11 HD1 TRP 11 7.711 6.096 1.658 36 HE1 TRP 11 HE1 TRP 11 6.445 6.705 3.810 37 HE3 TRP 11 HE3 TRP 11 3.289 3.790 0.632 38 HZ2 TRP 11 HZ2 TRP 11 3.903 6.246 4.923 39 HZ3 TRP 11 HZ3 TRP 11 1.487 3.915 2.298 40 HH2 TRP 11 HH2 TRP 11 1.789 5.118 4.401 41 H GLU 12 HN GLU 12 6.431 0.922 -0.921 42 HA GLU 12 HA GLU 12 7.448 1.202 -3.663 43 HB2 GLU 12 HB2 GLU 12 6.786 -1.318 -2.122 44 HB3 GLU 12 HB1 GLU 12 7.500 -1.238 -3.729 45 HG2 GLU 12 HG2 GLU 12 9.347 0.166 -2.528 46 HG3 GLU 12 HG1 GLU 12 8.737 -0.651 -1.089 47 H LYS 13 HN LYS 13 6.227 0.472 -5.427 48 HA LYS 13 HA LYS 13 3.358 0.668 -4.986 49 HB2 LYS 13 HB2 LYS 13 5.167 0.998 -7.297 50 HB3 LYS 13 HB1 LYS 13 3.601 0.292 -7.662 51 HG2 LYS 13 HG2 LYS 13 4.047 2.914 -6.256 52 HG3 LYS 13 HG1 LYS 13 3.585 2.710 -7.950 53 HD2 LYS 13 HD2 LYS 13 1.534 1.569 -7.244 54 HD3 LYS 13 HD1 LYS 13 1.990 1.798 -5.556 55 HE2 LYS 13 HE2 LYS 13 0.395 3.476 -6.164 56 HE3 LYS 13 HE1 LYS 13 1.962 4.240 -5.926 57 HZ1 LYS 13 HZ1 LYS 13 0.730 3.570 -8.547 58 HZ2 LYS 13 HZ2 LYS 13 2.283 4.213 -8.346 59 HZ3 LYS 13 HZ3 LYS 13 0.925 5.121 -7.894 60 H ARG 14 HN ARG 14 2.479 -1.095 -4.309 61 HA ARG 14 HA ARG 14 3.032 -3.628 -5.697 62 HB2 ARG 14 HB2 ARG 14 3.902 -3.899 -3.517 63 HB3 ARG 14 HB1 ARG 14 2.573 -3.030 -2.773 64 HG2 ARG 14 HG2 ARG 14 2.311 -5.323 -2.240 65 HG3 ARG 14 HG1 ARG 14 1.085 -4.941 -3.447 66 HD2 ARG 14 HD2 ARG 14 1.971 -7.002 -4.121 67 HD3 ARG 14 HD1 ARG 14 2.741 -5.814 -5.172 68 HE ARG 14 HE ARG 14 4.278 -6.423 -2.818 69 HH11 ARG 14 HH11 ARG 14 3.604 -7.328 -6.127 70 HH12 ARG 14 HH12 ARG 14 5.050 -8.274 -6.308 71 HH21 ARG 14 HH21 ARG 14 6.185 -7.636 -3.038 72 HH22 ARG 14 HH22 ARG 14 6.525 -8.456 -4.537 73 H MET 15 HN MET 15 1.214 -4.892 -6.208 74 HA MET 15 HA MET 15 -1.190 -3.283 -6.495 75 HB2 MET 15 HB2 MET 15 -0.392 -5.938 -7.689 76 HB3 MET 15 HB1 MET 15 -1.927 -5.142 -8.006 77 HG2 MET 15 HG2 MET 15 -0.715 -3.218 -8.933 78 HG3 MET 15 HG1 MET 15 0.806 -4.065 -8.660 79 HE1 MET 15 HE1 MET 15 1.510 -3.783 -11.201 80 HE2 MET 15 HE2 MET 15 0.025 -2.872 -11.471 81 HE3 MET 15 HE3 MET 15 0.456 -4.196 -12.553 82 H SER 16 HN SER 16 -3.087 -3.661 -5.619 83 HA SER 16 HA SER 16 -3.270 -5.582 -3.450 84 HB2 SER 16 HB2 SER 16 -5.467 -4.380 -3.041 85 HB3 SER 16 HB1 SER 16 -4.021 -3.384 -2.886 86 HG SER 16 HG SER 16 -4.461 -2.418 -4.797 87 H ARG 17 HN ARG 17 -5.032 -7.004 -3.256 88 HA ARG 17 HA ARG 17 -4.993 -8.610 -5.586 89 HB2 ARG 17 HB2 ARG 17 -4.667 -9.529 -3.382 90 HB3 ARG 17 HB1 ARG 17 -6.248 -8.968 -2.869 91 HG2 ARG 17 HG2 ARG 17 -7.310 -10.521 -4.425 92 HG3 ARG 17 HG1 ARG 17 -5.716 -11.086 -4.942 93 HD2 ARG 17 HD2 ARG 17 -6.725 -12.586 -3.277 94 HD3 ARG 17 HD1 ARG 17 -5.232 -11.850 -2.691 95 HE ARG 17 HE ARG 17 -7.491 -10.314 -1.904 96 HH11 ARG 17 HH11 ARG 17 -5.803 -13.295 -1.148 97 HH12 ARG 17 HH12 ARG 17 -6.252 -13.273 0.528 98 HH21 ARG 17 HH21 ARG 17 -8.078 -10.263 0.260 99 HH22 ARG 17 HH22 ARG 17 -7.547 -11.517 1.346 100 H SER 18 HN SER 18 -7.839 -7.668 -3.595 101 HA SER 18 HA SER 18 -9.516 -8.828 -5.620 102 HB2 SER 18 HB2 SER 18 -10.271 -7.350 -3.096 103 HB3 SER 18 HB1 SER 18 -11.369 -8.290 -4.107 104 HG SER 18 HG SER 18 -9.466 -9.130 -2.275 105 H SER 19 HN SER 19 -8.693 -5.548 -4.667 106 HA SER 19 HA SER 19 -10.742 -4.472 -6.423 107 HB2 SER 19 HB2 SER 19 -8.674 -2.979 -4.797 108 HB3 SER 19 HB1 SER 19 -10.128 -2.307 -5.538 109 HG SER 19 HG SER 19 -10.931 -2.725 -3.616 110 H GLY 20 HN GLY 20 -7.511 -5.443 -6.671 111 HA2 GLY 20 HA2 GLY 20 -5.922 -5.233 -8.319 112 HA3 GLY 20 HA1 GLY 20 -7.256 -4.817 -9.387 113 H ARG 21 HN ARG 21 -5.452 -3.317 -6.699 114 HA ARG 21 HA ARG 21 -5.433 -0.787 -8.260 115 HB2 ARG 21 HB2 ARG 21 -6.024 -0.989 -5.298 116 HB3 ARG 21 HB1 ARG 21 -5.933 0.491 -6.238 117 HG2 ARG 21 HG2 ARG 21 -7.992 -1.686 -6.515 118 HG3 ARG 21 HG1 ARG 21 -8.231 -0.087 -5.812 119 HD2 ARG 21 HD2 ARG 21 -7.492 -0.655 -8.679 120 HD3 ARG 21 HD1 ARG 21 -9.102 -0.241 -8.098 121 HE ARG 21 HE ARG 21 -7.272 1.754 -7.317 122 HH11 ARG 21 HH11 ARG 21 -8.897 0.503 -10.154 123 HH12 ARG 21 HH12 ARG 21 -8.844 2.020 -11.009 124 HH21 ARG 21 HH21 ARG 21 -7.193 3.743 -8.425 125 HH22 ARG 21 HH22 ARG 21 -7.885 3.866 -10.015 126 H VAL 22 HN VAL 22 -3.650 0.644 -7.820 127 HA VAL 22 HA VAL 22 -1.391 -0.801 -6.662 128 HB VAL 22 HB VAL 22 -0.080 1.309 -7.360 129 HG11 VAL 22 HG11 VAL 22 0.098 0.477 -9.677 130 HG12 VAL 22 HG12 VAL 22 -1.356 -0.491 -9.431 131 HG13 VAL 22 HG13 VAL 22 0.102 -0.836 -8.501 132 HG21 VAL 22 HG21 VAL 22 -1.067 2.575 -9.206 133 HG22 VAL 22 HG22 VAL 22 -2.000 2.769 -7.721 134 HG23 VAL 22 HG23 VAL 22 -2.587 1.704 -8.998 135 H TYR 23 HN TYR 23 -1.481 -0.784 -4.566 136 HA TYR 23 HA TYR 23 -1.897 1.737 -3.147 137 HB2 TYR 23 HB2 TYR 23 -2.394 0.479 -1.207 138 HB3 TYR 23 HB1 TYR 23 -3.208 -0.360 -2.518 139 HD1 TYR 23 HD2 TYR 23 -2.271 -2.518 -3.360 140 HD2 TYR 23 HD1 TYR 23 -0.704 -0.578 0.086 141 HE1 TYR 23 HE2 TYR 23 -1.199 -4.621 -2.668 142 HE2 TYR 23 HE1 TYR 23 0.373 -2.675 0.783 143 HH TYR 23 HH TYR 23 0.675 -5.358 -1.264 144 H TYR 24 HN TYR 24 -0.369 2.377 -1.540 145 HA TYR 24 HA TYR 24 2.327 1.709 -2.385 146 HB2 TYR 24 HB2 TYR 24 1.162 3.879 -0.665 147 HB3 TYR 24 HB1 TYR 24 2.892 3.577 -0.704 148 HD1 TYR 24 HD2 TYR 24 4.112 3.828 -2.887 149 HD2 TYR 24 HD1 TYR 24 0.101 5.135 -2.363 150 HE1 TYR 24 HE2 TYR 24 4.363 5.337 -4.807 151 HE2 TYR 24 HE1 TYR 24 0.338 6.655 -4.278 152 HH TYR 24 HH TYR 24 2.291 7.844 -5.446 153 H PHE 25 HN PHE 25 3.135 -0.042 -1.454 154 HA PHE 25 HA PHE 25 2.577 -0.616 1.352 155 HB2 PHE 25 HB2 PHE 25 2.390 -2.563 -0.016 156 HB3 PHE 25 HB1 PHE 25 3.896 -2.208 -0.856 157 HD1 PHE 25 HD1 PHE 25 2.425 -3.542 2.253 158 HD2 PHE 25 HD2 PHE 25 6.006 -2.768 0.092 159 HE1 PHE 25 HE1 PHE 25 3.684 -4.923 3.845 160 HE2 PHE 25 HE2 PHE 25 7.261 -4.157 1.670 161 HZ PHE 25 HZ PHE 25 6.120 -5.219 3.554 162 H ASN 26 HN ASN 26 3.871 0.173 2.849 163 HA ASN 26 HA ASN 26 6.657 0.806 2.110 164 HB2 ASN 26 HB2 ASN 26 5.493 2.834 2.617 165 HB3 ASN 26 HB1 ASN 26 4.754 2.123 4.052 166 HD21 ASN 26 HD21 ASN 26 7.594 3.533 2.685 167 HD22 ASN 26 HD22 ASN 26 8.443 3.759 4.173 168 H HIS 27 HN HIS 27 8.080 -0.614 2.982 169 HA HIS 27 HA HIS 27 7.176 -2.129 5.307 170 HB2 HIS 27 HB2 HIS 27 9.365 -3.475 4.799 171 HB3 HIS 27 HB1 HIS 27 7.900 -3.733 3.869 172 HD1 HIS 27 HD1 HIS 27 11.179 -1.783 3.566 173 HD2 HIS 27 HD2 HIS 27 8.256 -3.619 1.241 174 HE1 HIS 27 HE1 HIS 27 12.001 -1.627 1.190 175 HE2 HIS 27 HE2 HIS 27 10.185 -2.688 -0.215 176 H ILE 28 HN ILE 28 8.930 0.644 4.981 177 HA ILE 28 HA ILE 28 10.799 0.028 7.082 178 HB ILE 28 HB ILE 28 11.266 2.404 7.273 179 HG12 ILE 28 HG12 ILE 28 9.128 2.886 5.181 180 HG13 ILE 28 HG11 ILE 28 8.934 3.227 6.899 181 HG21 ILE 28 HG21 ILE 28 12.408 1.184 5.537 182 HG22 ILE 28 HG22 ILE 28 12.073 2.826 4.988 183 HG23 ILE 28 HG23 ILE 28 11.084 1.484 4.412 184 HD11 ILE 28 HD11 ILE 28 10.932 4.501 5.045 185 HD12 ILE 28 HD12 ILE 28 10.779 4.832 6.771 186 HD13 ILE 28 HD13 ILE 28 9.459 5.241 5.675 187 H THR 29 HN THR 29 7.637 1.585 6.839 188 HA THR 29 HA THR 29 7.277 1.468 9.720 189 HB THR 29 HB THR 29 5.204 2.192 7.642 190 HG1 THR 29 HG1 THR 29 6.545 3.806 7.258 191 HG21 THR 29 HG21 THR 29 5.497 2.924 10.560 192 HG22 THR 29 HG22 THR 29 4.336 1.777 9.891 193 HG23 THR 29 HG23 THR 29 4.222 3.490 9.484 194 H ASN 30 HN ASN 30 6.776 -0.511 6.980 195 HA ASN 30 HA ASN 30 5.866 -2.583 6.637 196 HB2 ASN 30 HB2 ASN 30 6.730 -3.055 8.969 197 HB3 ASN 30 HB1 ASN 30 5.151 -2.593 9.589 198 HD21 ASN 30 HD21 ASN 30 6.941 -4.956 7.766 199 HD22 ASN 30 HD22 ASN 30 5.748 -6.207 7.841 200 H ALA 31 HN ALA 31 4.358 0.103 6.993 201 HA ALA 31 HA ALA 31 1.629 -0.844 7.330 202 HB1 ALA 31 HB1 ALA 31 2.280 1.263 8.393 203 HB2 ALA 31 HB2 ALA 31 1.001 1.507 7.206 204 HB3 ALA 31 HB3 ALA 31 2.663 1.943 6.812 205 H SER 32 HN SER 32 0.186 -1.060 5.723 206 HA SER 32 HA SER 32 1.132 -0.568 2.986 207 HB2 SER 32 HB2 SER 32 -0.742 -2.282 2.458 208 HB3 SER 32 HB1 SER 32 0.753 -2.873 3.175 209 HG SER 32 HG SER 32 -0.251 -3.147 5.089 210 H GLN 33 HN GLN 33 0.260 1.198 2.083 211 HA GLN 33 HA GLN 33 -2.348 2.090 3.127 212 HB2 GLN 33 HB2 GLN 33 -0.020 3.726 2.127 213 HB3 GLN 33 HB1 GLN 33 -1.587 4.388 2.585 214 HG2 GLN 33 HG2 GLN 33 0.222 2.855 4.438 215 HG3 GLN 33 HG1 GLN 33 0.149 4.612 4.333 216 HE21 GLN 33 HE21 GLN 33 -0.487 4.834 6.452 217 HE22 GLN 33 HE22 GLN 33 -2.072 4.414 7.002 218 H TRP 34 HN TRP 34 -3.863 1.669 1.702 219 HA TRP 34 HA TRP 34 -3.574 1.724 -1.128 220 HB2 TRP 34 HB2 TRP 34 -5.954 1.913 0.706 221 HB3 TRP 34 HB1 TRP 34 -6.119 1.900 -1.037 222 HD1 TRP 34 HD1 TRP 34 -4.078 -0.333 1.376 223 HE1 TRP 34 HE1 TRP 34 -4.691 -2.770 0.877 224 HE3 TRP 34 HE3 TRP 34 -7.474 0.402 -2.372 225 HZ2 TRP 34 HZ2 TRP 34 -6.370 -4.181 -0.804 226 HZ3 TRP 34 HZ3 TRP 34 -8.553 -1.574 -3.375 227 HH2 TRP 34 HH2 TRP 34 -7.999 -3.834 -2.609 228 H GLU 35 HN GLU 35 -4.588 3.954 1.323 229 HA GLU 35 HA GLU 35 -5.398 5.962 -0.571 230 HB2 GLU 35 HB2 GLU 35 -6.328 7.075 1.282 231 HB3 GLU 35 HB1 GLU 35 -6.536 5.349 1.676 232 HG2 GLU 35 HG2 GLU 35 -4.803 5.417 3.258 233 HG3 GLU 35 HG1 GLU 35 -4.193 6.966 2.674 234 H ARG 36 HN ARG 36 -4.434 8.251 -0.243 235 HA ARG 36 HA ARG 36 -1.747 7.839 -1.086 236 HB2 ARG 36 HB2 ARG 36 -3.369 9.482 -2.054 237 HB3 ARG 36 HB1 ARG 36 -3.141 10.474 -0.623 238 HG2 ARG 36 HG2 ARG 36 -0.809 10.779 -1.159 239 HG3 ARG 36 HG1 ARG 36 -0.954 9.686 -2.538 240 HD2 ARG 36 HD2 ARG 36 -2.593 11.208 -3.551 241 HD3 ARG 36 HD1 ARG 36 -2.404 12.307 -2.187 242 HE ARG 36 HE ARG 36 -0.269 11.673 -4.131 243 HH11 ARG 36 HH11 ARG 36 -1.797 13.812 -1.814 244 HH12 ARG 36 HH12 ARG 36 -0.830 15.193 -2.252 245 HH21 ARG 36 HH21 ARG 36 1.021 13.484 -4.719 246 HH22 ARG 36 HH22 ARG 36 0.769 15.006 -3.915 247 HA PRO 37 HA PRO 37 0.294 8.125 2.835 248 HB2 PRO 37 HB2 PRO 37 2.814 8.548 1.769 249 HB3 PRO 37 HB1 PRO 37 2.075 6.963 2.005 250 HG2 PRO 37 HG2 PRO 37 2.295 8.615 -0.463 251 HG3 PRO 37 HG1 PRO 37 2.377 6.855 -0.274 252 HD2 PRO 37 HD2 PRO 37 0.192 8.106 -1.239 253 HD3 PRO 37 HD1 PRO 37 0.082 6.625 -0.270 254 H SER 38 HN SER 38 0.633 10.585 0.354 255 HA SER 38 HA SER 38 1.955 12.382 2.229 256 HB2 SER 38 HB2 SER 38 2.104 13.825 0.089 257 HB3 SER 38 HB1 SER 38 3.082 12.359 0.178 258 HG SER 38 HG SER 38 0.887 12.945 -1.416 259 H GLY 39 HN GLY 39 -1.158 11.654 1.554 260 HA2 GLY 39 HA2 GLY 39 -3.056 12.788 2.276 261 HA3 GLY 39 HA1 GLY 39 -2.071 14.223 2.530 262 H1 ARG 208 HT1 ARG 208 -2.560 -14.762 0.159 263 H2 ARG 208 HT2 ARG 208 -1.298 -14.437 1.245 264 H3 ARG 208 HT3 ARG 208 -0.951 -15.068 -0.289 265 HA ARG 208 HA ARG 208 -0.424 -12.771 -0.311 266 HB2 ARG 208 HB2 ARG 208 -1.406 -13.611 -2.363 267 HB3 ARG 208 HB1 ARG 208 -3.025 -13.399 -1.722 268 HG2 ARG 208 HG2 ARG 208 -2.599 -11.660 -3.294 269 HG3 ARG 208 HG1 ARG 208 -2.627 -10.947 -1.683 270 HD2 ARG 208 HD2 ARG 208 -0.017 -11.818 -2.825 271 HD3 ARG 208 HD1 ARG 208 -0.748 -10.331 -3.421 272 HE ARG 208 HE ARG 208 -0.814 -9.704 -0.940 273 HH11 ARG 208 HH11 ARG 208 1.657 -11.749 -2.370 274 HH12 ARG 208 HH12 ARG 208 2.900 -11.204 -1.278 275 HH21 ARG 208 HH21 ARG 208 0.842 -8.987 0.477 276 HH22 ARG 208 HH22 ARG 208 2.447 -9.644 0.323 277 H ILE 209 HN ILE 209 -0.508 -11.220 1.151 278 HA ILE 209 HA ILE 209 -2.903 -10.641 2.645 279 HB ILE 209 HB ILE 209 -0.385 -8.951 2.563 280 HG12 ILE 209 HG12 ILE 209 -0.991 -11.280 4.410 281 HG13 ILE 209 HG11 ILE 209 0.166 -11.324 3.084 282 HG21 ILE 209 HG21 ILE 209 -1.092 -8.278 4.805 283 HG22 ILE 209 HG22 ILE 209 -2.518 -9.305 4.672 284 HG23 ILE 209 HG23 ILE 209 -2.330 -7.914 3.604 285 HD11 ILE 209 HD11 ILE 209 1.275 -11.002 5.221 286 HD12 ILE 209 HD12 ILE 209 0.327 -9.541 5.503 287 HD13 ILE 209 HD13 ILE 209 1.490 -9.596 4.179 288 H SEP 210 HN SEP 210 -4.466 -9.210 2.039 289 HA SEP 210 HA SEP 210 -3.448 -6.803 0.730 290 HB2 SEP 210 HB2 SEP 210 -5.311 -6.418 -0.527 291 HB3 SEP 210 HB1 SEP 210 -4.756 -8.043 -0.932 292 HA PRO 211 HA PRO 211 -4.660 -4.625 4.198 293 HB2 PRO 211 HB2 PRO 211 -4.369 -2.416 2.279 294 HB3 PRO 211 HB1 PRO 211 -3.407 -2.780 3.708 295 HG2 PRO 211 HG2 PRO 211 -2.403 -3.066 1.260 296 HG3 PRO 211 HG1 PRO 211 -2.020 -4.237 2.540 297 HD2 PRO 211 HD2 PRO 211 -4.028 -4.483 0.330 298 HD3 PRO 211 HD1 PRO 211 -2.877 -5.652 0.892 299 HA PRO 212 HA PRO 212 -8.779 -3.010 3.844 300 HB2 PRO 212 HB2 PRO 212 -8.670 -2.320 6.479 301 HB3 PRO 212 HB1 PRO 212 -9.064 -3.958 5.941 302 HG2 PRO 212 HG2 PRO 212 -6.409 -2.870 6.846 303 HG3 PRO 212 HG1 PRO 212 -7.210 -4.378 7.331 304 HD2 PRO 212 HD2 PRO 212 -5.251 -4.260 5.526 305 HD3 PRO 212 HD1 PRO 212 -6.585 -5.407 5.352 306 H LEU 213 HN LEU 213 -8.993 -0.918 3.070 307 HA LEU 213 HA LEU 213 -6.948 1.050 3.460 308 HB2 LEU 213 HB2 LEU 213 -9.749 1.689 2.526 309 HB3 LEU 213 HB1 LEU 213 -8.254 2.624 2.246 310 HG LEU 213 HG LEU 213 -7.413 0.655 0.966 311 HD11 LEU 213 HD11 LEU 213 -9.085 -0.854 -0.041 312 HD12 LEU 213 HD12 LEU 213 -10.333 -0.147 0.985 313 HD13 LEU 213 HD13 LEU 213 -9.003 -1.049 1.710 314 HD21 LEU 213 HD21 LEU 213 -8.621 1.293 -1.075 315 HD22 LEU 213 HD22 LEU 213 -8.163 2.698 -0.108 316 HD23 LEU 213 HD23 LEU 213 -9.831 2.122 -0.093 317 HA PRO 214 HA PRO 214 -7.605 2.566 7.366 318 HB2 PRO 214 HB2 PRO 214 -7.115 5.224 6.132 319 HB3 PRO 214 HB1 PRO 214 -6.253 4.410 7.442 320 HG2 PRO 214 HG2 PRO 214 -5.184 4.561 5.001 321 HG3 PRO 214 HG1 PRO 214 -5.003 3.098 5.987 322 HD2 PRO 214 HD2 PRO 214 -6.827 3.595 3.668 323 HD3 PRO 214 HD1 PRO 214 -5.945 2.125 4.077 324 H PHE 215 HN PHE 215 -9.638 3.548 4.810 325 HA PHE 215 HA PHE 215 -11.552 4.593 6.772 326 HB2 PHE 215 HB2 PHE 215 -12.621 5.825 4.841 327 HB3 PHE 215 HB1 PHE 215 -11.049 6.428 5.337 328 HD1 PHE 215 HD1 PHE 215 -9.021 5.717 3.951 329 HD2 PHE 215 HD2 PHE 215 -13.037 5.252 2.629 330 HE1 PHE 215 HE1 PHE 215 -8.234 5.568 1.628 331 HE2 PHE 215 HE2 PHE 215 -12.257 5.096 0.303 332 HZ PHE 215 HZ PHE 215 -9.853 5.253 -0.200 Start of MODEL 10 1 H1 LEU 7 HT1 LEU 7 8.889 10.082 -1.346 2 H2 LEU 7 HT2 LEU 7 10.468 9.772 -0.828 3 H3 LEU 7 HT3 LEU 7 9.436 10.725 0.121 4 HA LEU 7 HA LEU 7 9.670 8.554 1.050 5 HB2 LEU 7 HB2 LEU 7 7.355 8.020 1.377 6 HB3 LEU 7 HB1 LEU 7 7.578 9.755 1.368 7 HG LEU 7 HG LEU 7 6.641 8.319 -1.102 8 HD11 LEU 7 HD11 LEU 7 5.154 7.637 0.710 9 HD12 LEU 7 HD12 LEU 7 4.341 8.749 -0.394 10 HD13 LEU 7 HD13 LEU 7 4.927 9.325 1.167 11 HD21 LEU 7 HD21 LEU 7 6.215 11.115 -0.050 12 HD22 LEU 7 HD22 LEU 7 5.599 10.477 -1.574 13 HD23 LEU 7 HD23 LEU 7 7.337 10.654 -1.332 14 HA PRO 8 HA PRO 8 8.225 5.645 -2.806 15 HB2 PRO 8 HB2 PRO 8 10.294 6.191 -4.658 16 HB3 PRO 8 HB1 PRO 8 8.560 6.446 -4.867 17 HG2 PRO 8 HG2 PRO 8 10.675 8.370 -4.055 18 HG3 PRO 8 HG1 PRO 8 9.195 8.648 -4.990 19 HD2 PRO 8 HD2 PRO 8 9.377 9.444 -2.455 20 HD3 PRO 8 HD1 PRO 8 7.865 8.754 -3.084 21 HA PRO 9 HA PRO 9 12.917 4.080 -2.200 22 HB2 PRO 9 HB2 PRO 9 13.784 5.262 0.202 23 HB3 PRO 9 HB1 PRO 9 14.453 5.532 -1.408 24 HG2 PRO 9 HG2 PRO 9 12.485 7.150 0.125 25 HG3 PRO 9 HG1 PRO 9 13.754 7.683 -0.993 26 HD2 PRO 9 HD2 PRO 9 11.189 7.681 -1.725 27 HD3 PRO 9 HD1 PRO 9 12.462 7.208 -2.870 28 H GLY 10 HN GLY 10 10.606 5.093 0.260 29 HA2 GLY 10 HA2 GLY 10 10.943 2.470 1.566 30 HA3 GLY 10 HA1 GLY 10 10.299 3.903 2.353 31 H TRP 11 HN TRP 11 8.717 4.504 -0.127 32 HA TRP 11 HA TRP 11 6.497 2.677 0.457 33 HB2 TRP 11 HB2 TRP 11 6.573 5.495 -0.624 34 HB3 TRP 11 HB1 TRP 11 5.119 4.505 -0.696 35 HD1 TRP 11 HD1 TRP 11 7.556 5.865 2.020 36 HE1 TRP 11 HE1 TRP 11 6.199 6.335 4.148 37 HE3 TRP 11 HE3 TRP 11 3.010 4.174 0.462 38 HZ2 TRP 11 HZ2 TRP 11 3.556 6.035 5.049 39 HZ3 TRP 11 HZ3 TRP 11 1.113 4.295 2.023 40 HH2 TRP 11 HH2 TRP 11 1.379 5.206 4.270 41 H GLU 12 HN GLU 12 6.408 1.062 -0.888 42 HA GLU 12 HA GLU 12 7.188 1.270 -3.694 43 HB2 GLU 12 HB2 GLU 12 5.962 -1.130 -2.332 44 HB3 GLU 12 HB1 GLU 12 7.010 -1.095 -3.741 45 HG2 GLU 12 HG2 GLU 12 7.920 -0.355 -0.977 46 HG3 GLU 12 HG1 GLU 12 8.038 -1.979 -1.646 47 H LYS 13 HN LYS 13 5.667 1.094 -5.391 48 HA LYS 13 HA LYS 13 2.878 1.165 -4.545 49 HB2 LYS 13 HB2 LYS 13 4.085 1.636 -7.267 50 HB3 LYS 13 HB1 LYS 13 2.361 1.691 -6.916 51 HG2 LYS 13 HG2 LYS 13 3.325 3.367 -5.028 52 HG3 LYS 13 HG1 LYS 13 4.478 3.635 -6.335 53 HD2 LYS 13 HD2 LYS 13 2.651 5.200 -6.494 54 HD3 LYS 13 HD1 LYS 13 2.604 4.090 -7.866 55 HE2 LYS 13 HE2 LYS 13 0.868 2.779 -6.683 56 HE3 LYS 13 HE1 LYS 13 0.909 3.953 -5.373 57 HZ1 LYS 13 HZ1 LYS 13 -0.913 4.455 -6.833 58 HZ2 LYS 13 HZ2 LYS 13 0.105 4.498 -8.185 59 HZ3 LYS 13 HZ3 LYS 13 0.250 5.678 -6.983 60 H ARG 14 HN ARG 14 2.186 -0.726 -4.064 61 HA ARG 14 HA ARG 14 2.956 -3.059 -5.669 62 HB2 ARG 14 HB2 ARG 14 3.493 -3.034 -3.232 63 HB3 ARG 14 HB1 ARG 14 1.779 -2.922 -2.882 64 HG2 ARG 14 HG2 ARG 14 2.138 -5.161 -2.606 65 HG3 ARG 14 HG1 ARG 14 1.650 -5.118 -4.301 66 HD2 ARG 14 HD2 ARG 14 4.502 -5.118 -3.322 67 HD3 ARG 14 HD1 ARG 14 3.631 -6.546 -3.872 68 HE ARG 14 HE ARG 14 3.616 -4.504 -5.854 69 HH11 ARG 14 HH11 ARG 14 5.653 -6.950 -4.395 70 HH12 ARG 14 HH12 ARG 14 6.626 -7.168 -5.825 71 HH21 ARG 14 HH21 ARG 14 4.909 -4.779 -7.730 72 HH22 ARG 14 HH22 ARG 14 6.210 -5.927 -7.702 73 H MET 15 HN MET 15 1.319 -4.566 -6.295 74 HA MET 15 HA MET 15 -1.217 -3.247 -6.807 75 HB2 MET 15 HB2 MET 15 -1.648 -5.147 -8.321 76 HB3 MET 15 HB1 MET 15 -0.132 -4.337 -8.685 77 HG2 MET 15 HG2 MET 15 1.064 -6.120 -7.456 78 HG3 MET 15 HG1 MET 15 -0.477 -6.951 -7.236 79 HE1 MET 15 HE1 MET 15 2.021 -8.374 -8.524 80 HE2 MET 15 HE2 MET 15 1.288 -9.187 -9.907 81 HE3 MET 15 HE3 MET 15 0.451 -9.157 -8.356 82 H SER 16 HN SER 16 -3.003 -3.645 -5.784 83 HA SER 16 HA SER 16 -3.029 -5.548 -3.597 84 HB2 SER 16 HB2 SER 16 -5.221 -4.373 -3.078 85 HB3 SER 16 HB1 SER 16 -3.780 -3.362 -3.016 86 HG SER 16 HG SER 16 -4.344 -2.411 -4.892 87 H ARG 17 HN ARG 17 -4.818 -6.919 -3.231 88 HA ARG 17 HA ARG 17 -4.870 -8.681 -5.432 89 HB2 ARG 17 HB2 ARG 17 -4.541 -9.506 -3.212 90 HB3 ARG 17 HB1 ARG 17 -6.036 -8.776 -2.657 91 HG2 ARG 17 HG2 ARG 17 -7.284 -10.316 -4.128 92 HG3 ARG 17 HG1 ARG 17 -5.762 -11.112 -4.532 93 HD2 ARG 17 HD2 ARG 17 -5.427 -11.654 -2.172 94 HD3 ARG 17 HD1 ARG 17 -6.940 -10.845 -1.768 95 HE ARG 17 HE ARG 17 -7.143 -13.000 -3.703 96 HH11 ARG 17 HH11 ARG 17 -7.327 -12.076 -0.316 97 HH12 ARG 17 HH12 ARG 17 -8.327 -13.436 0.111 98 HH21 ARG 17 HH21 ARG 17 -8.419 -14.783 -3.116 99 HH22 ARG 17 HH22 ARG 17 -8.940 -14.972 -1.467 100 H SER 18 HN SER 18 -7.486 -6.925 -3.757 101 HA SER 18 HA SER 18 -9.525 -8.450 -4.997 102 HB2 SER 18 HB2 SER 18 -9.786 -5.756 -3.650 103 HB3 SER 18 HB1 SER 18 -11.064 -6.949 -3.897 104 HG SER 18 HG SER 18 -10.121 -8.278 -2.422 105 H SER 19 HN SER 19 -8.835 -4.958 -5.370 106 HA SER 19 HA SER 19 -10.418 -4.967 -7.799 107 HB2 SER 19 HB2 SER 19 -9.852 -2.420 -7.589 108 HB3 SER 19 HB1 SER 19 -11.009 -3.161 -6.481 109 HG SER 19 HG SER 19 -9.742 -2.501 -4.951 110 H GLY 20 HN GLY 20 -7.174 -5.384 -7.058 111 HA2 GLY 20 HA2 GLY 20 -5.287 -5.411 -8.385 112 HA3 GLY 20 HA1 GLY 20 -6.333 -5.113 -9.770 113 H ARG 21 HN ARG 21 -5.249 -3.401 -6.853 114 HA ARG 21 HA ARG 21 -5.078 -0.945 -8.525 115 HB2 ARG 21 HB2 ARG 21 -6.243 -1.277 -5.773 116 HB3 ARG 21 HB1 ARG 21 -5.730 0.291 -6.382 117 HG2 ARG 21 HG2 ARG 21 -7.278 0.006 -8.288 118 HG3 ARG 21 HG1 ARG 21 -7.849 -1.493 -7.552 119 HD2 ARG 21 HD2 ARG 21 -9.325 0.405 -7.054 120 HD3 ARG 21 HD1 ARG 21 -8.605 -0.275 -5.596 121 HE ARG 21 HE ARG 21 -6.986 1.633 -5.752 122 HH11 ARG 21 HH11 ARG 21 -10.174 1.869 -7.181 123 HH12 ARG 21 HH12 ARG 21 -10.260 3.596 -6.988 124 HH21 ARG 21 HH21 ARG 21 -7.109 3.916 -5.515 125 HH22 ARG 21 HH22 ARG 21 -8.531 4.751 -6.056 126 H VAL 22 HN VAL 22 -3.505 0.639 -7.926 127 HA VAL 22 HA VAL 22 -1.199 -0.619 -6.672 128 HB VAL 22 HB VAL 22 -0.111 1.668 -7.345 129 HG11 VAL 22 HG11 VAL 22 0.428 -0.493 -8.361 130 HG12 VAL 22 HG12 VAL 22 0.342 0.766 -9.593 131 HG13 VAL 22 HG13 VAL 22 -0.991 -0.372 -9.401 132 HG21 VAL 22 HG21 VAL 22 -2.197 2.818 -7.878 133 HG22 VAL 22 HG22 VAL 22 -2.566 1.610 -9.110 134 HG23 VAL 22 HG23 VAL 22 -1.181 2.684 -9.312 135 H TYR 23 HN TYR 23 -1.569 -0.637 -4.577 136 HA TYR 23 HA TYR 23 -2.264 1.792 -3.142 137 HB2 TYR 23 HB2 TYR 23 -2.619 0.427 -1.236 138 HB3 TYR 23 HB1 TYR 23 -3.276 -0.478 -2.591 139 HD1 TYR 23 HD2 TYR 23 -2.042 -2.459 -3.456 140 HD2 TYR 23 HD1 TYR 23 -0.813 -0.408 0.058 141 HE1 TYR 23 HE2 TYR 23 -0.688 -4.403 -2.801 142 HE2 TYR 23 HE1 TYR 23 0.538 -2.349 0.722 143 HH TYR 23 HH TYR 23 0.697 -4.711 0.320 144 H TYR 24 HN TYR 24 -0.925 2.599 -1.441 145 HA TYR 24 HA TYR 24 1.877 2.449 -2.209 146 HB2 TYR 24 HB2 TYR 24 0.353 4.277 -0.337 147 HB3 TYR 24 HB1 TYR 24 2.085 4.393 -0.626 148 HD1 TYR 24 HD2 TYR 24 2.897 4.952 -2.926 149 HD2 TYR 24 HD1 TYR 24 -1.213 5.239 -1.851 150 HE1 TYR 24 HE2 TYR 24 2.501 6.410 -4.849 151 HE2 TYR 24 HE1 TYR 24 -1.623 6.683 -3.793 152 HH TYR 24 HH TYR 24 -0.572 8.018 -5.355 153 H PHE 25 HN PHE 25 3.110 1.005 -1.207 154 HA PHE 25 HA PHE 25 2.335 0.001 1.448 155 HB2 PHE 25 HB2 PHE 25 2.344 -1.794 -0.088 156 HB3 PHE 25 HB1 PHE 25 3.791 -1.214 -0.896 157 HD1 PHE 25 HD2 PHE 25 2.521 -2.940 2.114 158 HD2 PHE 25 HD1 PHE 25 5.932 -1.771 -0.143 159 HE1 PHE 25 HE2 PHE 25 3.937 -4.369 3.518 160 HE2 PHE 25 HE1 PHE 25 7.349 -3.207 1.241 161 HZ PHE 25 HZ PHE 25 6.378 -4.484 3.077 162 H ASN 26 HN ASN 26 3.591 0.571 3.153 163 HA ASN 26 HA ASN 26 6.350 1.453 2.571 164 HB2 ASN 26 HB2 ASN 26 4.856 3.206 3.477 165 HB3 ASN 26 HB1 ASN 26 4.581 2.211 4.906 166 HD21 ASN 26 HD21 ASN 26 7.614 2.665 3.173 167 HD22 ASN 26 HD22 ASN 26 8.428 3.506 4.451 168 H HIS 27 HN HIS 27 7.912 0.075 3.263 169 HA HIS 27 HA HIS 27 7.073 -1.995 5.142 170 HB2 HIS 27 HB2 HIS 27 9.470 -2.926 4.511 171 HB3 HIS 27 HB1 HIS 27 8.057 -3.200 3.505 172 HD1 HIS 27 HD1 HIS 27 11.163 -1.016 3.653 173 HD2 HIS 27 HD2 HIS 27 8.237 -2.307 0.991 174 HE1 HIS 27 HE1 HIS 27 11.903 -0.194 1.390 175 HE2 HIS 27 HE2 HIS 27 10.111 -0.953 -0.219 176 H ILE 28 HN ILE 28 8.792 0.911 5.382 177 HA ILE 28 HA ILE 28 10.585 0.042 7.428 178 HB ILE 28 HB ILE 28 10.896 2.374 8.041 179 HG12 ILE 28 HG12 ILE 28 8.835 3.139 5.971 180 HG13 ILE 28 HG11 ILE 28 8.453 3.000 7.687 181 HG21 ILE 28 HG21 ILE 28 11.704 3.233 5.886 182 HG22 ILE 28 HG22 ILE 28 10.798 1.965 5.057 183 HG23 ILE 28 HG23 ILE 28 12.128 1.541 6.136 184 HD11 ILE 28 HD11 ILE 28 10.102 4.728 8.191 185 HD12 ILE 28 HD12 ILE 28 8.872 5.304 7.067 186 HD13 ILE 28 HD13 ILE 28 10.476 4.869 6.472 187 H THR 29 HN THR 29 7.365 1.483 7.405 188 HA THR 29 HA THR 29 6.996 0.977 10.240 189 HB THR 29 HB THR 29 4.683 1.881 9.775 190 HG1 THR 29 HG1 THR 29 5.375 3.033 7.403 191 HG21 THR 29 HG21 THR 29 5.418 4.197 9.499 192 HG22 THR 29 HG22 THR 29 6.995 3.638 8.939 193 HG23 THR 29 HG23 THR 29 6.489 3.325 10.599 194 H ASN 30 HN ASN 30 6.548 -0.571 7.257 195 HA ASN 30 HA ASN 30 5.690 -2.572 6.595 196 HB2 ASN 30 HB2 ASN 30 6.528 -3.365 8.862 197 HB3 ASN 30 HB1 ASN 30 4.907 -3.075 9.481 198 HD21 ASN 30 HD21 ASN 30 5.724 -4.337 6.297 199 HD22 ASN 30 HD22 ASN 30 5.023 -5.901 6.534 200 H ALA 31 HN ALA 31 4.150 0.007 7.206 201 HA ALA 31 HA ALA 31 1.419 -0.975 7.456 202 HB1 ALA 31 HB1 ALA 31 2.072 1.063 8.656 203 HB2 ALA 31 HB2 ALA 31 0.787 1.377 7.488 204 HB3 ALA 31 HB3 ALA 31 2.446 1.842 7.119 205 H SER 32 HN SER 32 -0.170 -0.631 5.862 206 HA SER 32 HA SER 32 0.858 -0.105 3.160 207 HB2 SER 32 HB2 SER 32 -0.964 -2.352 4.034 208 HB3 SER 32 HB1 SER 32 -0.648 -1.936 2.354 209 HG SER 32 HG SER 32 1.532 -2.359 4.044 210 H GLN 33 HN GLN 33 -0.249 1.452 2.151 211 HA GLN 33 HA GLN 33 -2.929 2.106 3.190 212 HB2 GLN 33 HB2 GLN 33 -0.691 3.958 2.379 213 HB3 GLN 33 HB1 GLN 33 -2.348 4.495 2.645 214 HG2 GLN 33 HG2 GLN 33 -2.179 3.563 4.968 215 HG3 GLN 33 HG1 GLN 33 -0.460 3.312 4.665 216 HE21 GLN 33 HE21 GLN 33 -2.206 6.021 3.341 217 HE22 GLN 33 HE22 GLN 33 -1.471 7.232 4.332 218 H TRP 34 HN TRP 34 -4.344 1.543 1.651 219 HA TRP 34 HA TRP 34 -3.920 1.828 -1.155 220 HB2 TRP 34 HB2 TRP 34 -6.484 1.729 0.446 221 HB3 TRP 34 HB1 TRP 34 -6.404 1.624 -1.302 222 HD1 TRP 34 HD1 TRP 34 -4.301 -0.291 1.323 223 HE1 TRP 34 HE1 TRP 34 -4.663 -2.798 0.932 224 HE3 TRP 34 HE3 TRP 34 -7.707 -0.058 -2.465 225 HZ2 TRP 34 HZ2 TRP 34 -6.165 -4.458 -0.723 226 HZ3 TRP 34 HZ3 TRP 34 -8.570 -2.171 -3.406 227 HH2 TRP 34 HH2 TRP 34 -7.807 -4.334 -2.548 228 H GLU 35 HN GLU 35 -5.041 3.794 1.401 229 HA GLU 35 HA GLU 35 -5.846 5.989 -0.317 230 HB2 GLU 35 HB2 GLU 35 -7.346 6.235 1.323 231 HB3 GLU 35 HB1 GLU 35 -6.585 4.957 2.268 232 HG2 GLU 35 HG2 GLU 35 -6.372 6.631 3.770 233 HG3 GLU 35 HG1 GLU 35 -4.944 7.041 2.820 234 H ARG 36 HN ARG 36 -4.866 8.215 0.268 235 HA ARG 36 HA ARG 36 -2.163 7.731 -0.502 236 HB2 ARG 36 HB2 ARG 36 -3.613 10.328 -0.031 237 HB3 ARG 36 HB1 ARG 36 -2.045 10.179 -0.804 238 HG2 ARG 36 HG2 ARG 36 -3.115 8.775 -2.555 239 HG3 ARG 36 HG1 ARG 36 -4.675 9.123 -1.812 240 HD2 ARG 36 HD2 ARG 36 -2.755 11.140 -2.973 241 HD3 ARG 36 HD1 ARG 36 -4.264 10.600 -3.703 242 HE ARG 36 HE ARG 36 -3.969 12.388 -1.404 243 HH11 ARG 36 HH11 ARG 36 -6.071 10.677 -3.615 244 HH12 ARG 36 HH12 ARG 36 -7.465 11.642 -3.243 245 HH21 ARG 36 HH21 ARG 36 -5.768 13.690 -0.942 246 HH22 ARG 36 HH22 ARG 36 -7.298 13.365 -1.716 247 HA PRO 37 HA PRO 37 0.035 7.966 3.300 248 HB2 PRO 37 HB2 PRO 37 2.166 9.353 1.795 249 HB3 PRO 37 HB1 PRO 37 2.234 7.824 2.679 250 HG2 PRO 37 HG2 PRO 37 2.247 7.909 -0.000 251 HG3 PRO 37 HG1 PRO 37 1.444 6.605 0.894 252 HD2 PRO 37 HD2 PRO 37 0.263 8.958 -0.507 253 HD3 PRO 37 HD1 PRO 37 -0.349 7.298 -0.367 254 H SER 38 HN SER 38 -0.087 10.849 1.272 255 HA SER 38 HA SER 38 -0.725 12.535 3.472 256 HB2 SER 38 HB2 SER 38 1.298 14.020 3.235 257 HB3 SER 38 HB1 SER 38 1.644 12.441 3.940 258 HG SER 38 HG SER 38 1.920 12.959 1.171 259 H GLY 39 HN GLY 39 -2.145 13.900 2.616 260 HA2 GLY 39 HA2 GLY 39 -2.406 15.839 1.129 261 HA3 GLY 39 HA1 GLY 39 -1.663 14.865 -0.134 262 H1 ARG 208 HT1 ARG 208 -3.851 -12.415 0.091 263 H2 ARG 208 HT2 ARG 208 -4.252 -13.367 1.435 264 H3 ARG 208 HT3 ARG 208 -4.083 -14.085 -0.093 265 HA ARG 208 HA ARG 208 -2.175 -14.455 1.434 266 HB2 ARG 208 HB2 ARG 208 -1.643 -12.928 -1.127 267 HB3 ARG 208 HB1 ARG 208 -0.443 -13.876 -0.260 268 HG2 ARG 208 HG2 ARG 208 -1.685 -15.897 -0.660 269 HG3 ARG 208 HG1 ARG 208 -2.984 -14.984 -1.427 270 HD2 ARG 208 HD2 ARG 208 -1.324 -14.204 -3.121 271 HD3 ARG 208 HD1 ARG 208 -0.155 -15.311 -2.400 272 HE ARG 208 HE ARG 208 -2.334 -16.863 -2.953 273 HH11 ARG 208 HH11 ARG 208 -0.228 -14.775 -4.834 274 HH12 ARG 208 HH12 ARG 208 -0.443 -15.687 -6.304 275 HH21 ARG 208 HH21 ARG 208 -2.648 -18.018 -4.893 276 HH22 ARG 208 HH22 ARG 208 -1.824 -17.511 -6.335 277 H ILE 209 HN ILE 209 -1.212 -11.495 -0.154 278 HA ILE 209 HA ILE 209 -0.956 -10.201 2.472 279 HB ILE 209 HB ILE 209 0.899 -8.805 1.362 280 HG12 ILE 209 HG12 ILE 209 0.935 -11.205 -0.499 281 HG13 ILE 209 HG11 ILE 209 0.448 -9.575 -0.954 282 HG21 ILE 209 HG21 ILE 209 1.320 -10.415 3.129 283 HG22 ILE 209 HG22 ILE 209 2.608 -10.474 1.926 284 HG23 ILE 209 HG23 ILE 209 1.370 -11.730 1.956 285 HD11 ILE 209 HD11 ILE 209 2.711 -10.059 -1.680 286 HD12 ILE 209 HD12 ILE 209 3.189 -10.398 -0.017 287 HD13 ILE 209 HD13 ILE 209 2.699 -8.768 -0.480 288 H SEP 210 HN SEP 210 -3.006 -9.270 2.284 289 HA SEP 210 HA SEP 210 -2.882 -6.889 0.609 290 HB2 SEP 210 HB2 SEP 210 -5.173 -6.908 0.123 291 HB3 SEP 210 HB1 SEP 210 -4.342 -8.265 -0.651 292 HA PRO 211 HA PRO 211 -3.824 -4.613 4.162 293 HB2 PRO 211 HB2 PRO 211 -4.070 -2.508 2.198 294 HB3 PRO 211 HB1 PRO 211 -2.757 -2.777 3.343 295 HG2 PRO 211 HG2 PRO 211 -2.460 -3.005 0.667 296 HG3 PRO 211 HG1 PRO 211 -1.541 -4.000 1.815 297 HD2 PRO 211 HD2 PRO 211 -3.987 -4.744 0.257 298 HD3 PRO 211 HD1 PRO 211 -2.556 -5.656 0.547 299 HA PRO 212 HA PRO 212 -8.083 -3.308 4.189 300 HB2 PRO 212 HB2 PRO 212 -7.660 -2.230 6.661 301 HB3 PRO 212 HB1 PRO 212 -8.009 -3.949 6.422 302 HG2 PRO 212 HG2 PRO 212 -5.336 -2.608 6.778 303 HG3 PRO 212 HG1 PRO 212 -5.952 -4.072 7.569 304 HD2 PRO 212 HD2 PRO 212 -4.268 -4.099 5.498 305 HD3 PRO 212 HD1 PRO 212 -5.510 -5.340 5.680 306 H LEU 213 HN LEU 213 -8.794 -1.170 3.723 307 HA LEU 213 HA LEU 213 -6.670 0.746 3.177 308 HB2 LEU 213 HB2 LEU 213 -9.626 1.224 2.795 309 HB3 LEU 213 HB1 LEU 213 -8.275 2.178 2.160 310 HG LEU 213 HG LEU 213 -7.613 0.170 0.835 311 HD11 LEU 213 HD11 LEU 213 -8.836 -1.559 2.055 312 HD12 LEU 213 HD12 LEU 213 -9.320 -1.524 0.359 313 HD13 LEU 213 HD13 LEU 213 -10.366 -0.816 1.588 314 HD21 LEU 213 HD21 LEU 213 -8.753 2.071 -0.153 315 HD22 LEU 213 HD22 LEU 213 -10.318 1.385 0.283 316 HD23 LEU 213 HD23 LEU 213 -9.296 0.569 -0.902 317 HA PRO 214 HA PRO 214 -6.394 2.879 6.835 318 HB2 PRO 214 HB2 PRO 214 -6.276 5.326 5.174 319 HB3 PRO 214 HB1 PRO 214 -5.085 4.664 6.296 320 HG2 PRO 214 HG2 PRO 214 -4.759 4.512 3.633 321 HG3 PRO 214 HG1 PRO 214 -4.205 3.230 4.718 322 HD2 PRO 214 HD2 PRO 214 -6.573 3.281 2.924 323 HD3 PRO 214 HD1 PRO 214 -5.551 1.921 3.384 324 H PHE 215 HN PHE 215 -9.097 3.486 4.838 325 HA PHE 215 HA PHE 215 -10.160 5.808 6.050 326 HB2 PHE 215 HB2 PHE 215 -11.636 3.557 4.666 327 HB3 PHE 215 HB1 PHE 215 -12.299 5.146 5.029 328 HD1 PHE 215 HD1 PHE 215 -9.690 3.406 3.116 329 HD2 PHE 215 HD2 PHE 215 -12.002 6.933 3.531 330 HE1 PHE 215 HE1 PHE 215 -8.831 4.199 0.953 331 HE2 PHE 215 HE2 PHE 215 -11.163 7.748 1.365 332 HZ PHE 215 HZ PHE 215 -9.576 6.377 0.068 Start of MODEL 11 1 H1 LEU 7 HT1 LEU 7 11.686 9.141 1.131 2 H2 LEU 7 HT2 LEU 7 10.771 10.497 1.561 3 H3 LEU 7 HT3 LEU 7 11.036 10.142 -0.072 4 HA LEU 7 HA LEU 7 9.531 8.469 1.831 5 HB2 LEU 7 HB2 LEU 7 8.396 10.586 1.332 6 HB3 LEU 7 HB1 LEU 7 8.521 10.256 -0.383 7 HG LEU 7 HG LEU 7 7.077 8.266 1.301 8 HD11 LEU 7 HD11 LEU 7 6.221 10.387 2.140 9 HD12 LEU 7 HD12 LEU 7 5.010 9.577 1.146 10 HD13 LEU 7 HD13 LEU 7 5.926 10.934 0.490 11 HD21 LEU 7 HD21 LEU 7 6.590 9.430 -1.441 12 HD22 LEU 7 HD22 LEU 7 5.672 8.120 -0.698 13 HD23 LEU 7 HD23 LEU 7 7.376 7.888 -1.098 14 HA PRO 8 HA PRO 8 9.089 6.664 -2.820 15 HB2 PRO 8 HB2 PRO 8 11.611 7.249 -4.011 16 HB3 PRO 8 HB1 PRO 8 10.010 7.780 -4.532 17 HG2 PRO 8 HG2 PRO 8 12.014 9.182 -2.843 18 HG3 PRO 8 HG1 PRO 8 10.833 9.857 -3.983 19 HD2 PRO 8 HD2 PRO 8 10.468 10.077 -1.366 20 HD3 PRO 8 HD1 PRO 8 9.093 9.702 -2.431 21 HA PRO 9 HA PRO 9 13.329 4.226 -2.016 22 HB2 PRO 9 HB2 PRO 9 14.272 4.809 0.540 23 HB3 PRO 9 HB1 PRO 9 14.998 5.350 -0.976 24 HG2 PRO 9 HG2 PRO 9 13.104 6.784 0.840 25 HG3 PRO 9 HG1 PRO 9 14.530 7.409 -0.013 26 HD2 PRO 9 HD2 PRO 9 12.103 7.919 -0.934 27 HD3 PRO 9 HD1 PRO 9 13.404 7.487 -2.064 28 H GLY 10 HN GLY 10 11.003 5.159 0.456 29 HA2 GLY 10 HA2 GLY 10 11.138 2.468 1.624 30 HA3 GLY 10 HA1 GLY 10 10.351 3.864 2.346 31 H TRP 11 HN TRP 11 8.906 4.627 -0.027 32 HA TRP 11 HA TRP 11 6.719 2.730 0.313 33 HB2 TRP 11 HB2 TRP 11 6.797 5.486 -0.933 34 HB3 TRP 11 HB1 TRP 11 5.351 4.496 -0.794 35 HD1 TRP 11 HD1 TRP 11 7.957 6.130 1.571 36 HE1 TRP 11 HE1 TRP 11 6.761 6.845 3.723 37 HE3 TRP 11 HE3 TRP 11 3.335 4.265 0.542 38 HZ2 TRP 11 HZ2 TRP 11 4.186 6.645 4.839 39 HZ3 TRP 11 HZ3 TRP 11 1.552 4.568 2.205 40 HH2 TRP 11 HH2 TRP 11 1.970 5.732 4.312 41 H GLU 12 HN GLU 12 6.483 1.152 -1.094 42 HA GLU 12 HA GLU 12 7.235 1.550 -3.922 43 HB2 GLU 12 HB2 GLU 12 6.499 -1.065 -2.596 44 HB3 GLU 12 HB1 GLU 12 7.359 -0.821 -4.111 45 HG2 GLU 12 HG2 GLU 12 9.296 0.009 -2.922 46 HG3 GLU 12 HG1 GLU 12 8.439 -0.143 -1.389 47 H LYS 13 HN LYS 13 5.650 1.206 -5.531 48 HA LYS 13 HA LYS 13 2.954 1.191 -4.443 49 HB2 LYS 13 HB2 LYS 13 3.989 1.821 -7.190 50 HB3 LYS 13 HB1 LYS 13 2.268 1.669 -6.833 51 HG2 LYS 13 HG2 LYS 13 2.732 3.346 -4.952 52 HG3 LYS 13 HG1 LYS 13 4.243 3.659 -5.792 53 HD2 LYS 13 HD2 LYS 13 2.430 5.242 -6.338 54 HD3 LYS 13 HD1 LYS 13 3.089 4.406 -7.743 55 HE2 LYS 13 HE2 LYS 13 0.681 3.293 -6.377 56 HE3 LYS 13 HE1 LYS 13 0.496 4.707 -7.410 57 HZ1 LYS 13 HZ1 LYS 13 0.120 2.872 -8.784 58 HZ2 LYS 13 HZ2 LYS 13 1.436 2.002 -8.174 59 HZ3 LYS 13 HZ3 LYS 13 1.697 3.355 -9.159 60 H ARG 14 HN ARG 14 2.543 -0.705 -3.800 61 HA ARG 14 HA ARG 14 3.004 -3.063 -5.459 62 HB2 ARG 14 HB2 ARG 14 3.875 -2.983 -3.136 63 HB3 ARG 14 HB1 ARG 14 2.242 -2.789 -2.537 64 HG2 ARG 14 HG2 ARG 14 1.667 -5.009 -3.385 65 HG3 ARG 14 HG1 ARG 14 3.311 -5.191 -4.006 66 HD2 ARG 14 HD2 ARG 14 4.140 -4.853 -1.667 67 HD3 ARG 14 HD1 ARG 14 2.465 -4.907 -1.124 68 HE ARG 14 HE ARG 14 3.726 -7.171 -2.538 69 HH11 ARG 14 HH11 ARG 14 1.851 -5.874 0.128 70 HH12 ARG 14 HH12 ARG 14 1.580 -7.422 0.857 71 HH21 ARG 14 HH21 ARG 14 3.403 -9.215 -1.547 72 HH22 ARG 14 HH22 ARG 14 2.461 -9.320 -0.097 73 H MET 15 HN MET 15 1.212 -4.611 -5.731 74 HA MET 15 HA MET 15 -1.165 -3.040 -6.330 75 HB2 MET 15 HB2 MET 15 -0.388 -5.843 -7.147 76 HB3 MET 15 HB1 MET 15 -1.820 -4.988 -7.707 77 HG2 MET 15 HG2 MET 15 -0.392 -3.283 -8.725 78 HG3 MET 15 HG1 MET 15 1.033 -4.159 -8.175 79 HE1 MET 15 HE1 MET 15 2.026 -4.223 -10.617 80 HE2 MET 15 HE2 MET 15 0.633 -3.304 -11.187 81 HE3 MET 15 HE3 MET 15 1.124 -4.774 -12.027 82 H SER 16 HN SER 16 -3.172 -3.444 -5.669 83 HA SER 16 HA SER 16 -3.527 -4.957 -3.220 84 HB2 SER 16 HB2 SER 16 -5.522 -3.263 -4.747 85 HB3 SER 16 HB1 SER 16 -5.653 -3.803 -3.074 86 HG SER 16 HG SER 16 -4.770 -1.939 -2.677 87 H ARG 17 HN ARG 17 -4.866 -6.684 -3.015 88 HA ARG 17 HA ARG 17 -4.467 -8.402 -5.233 89 HB2 ARG 17 HB2 ARG 17 -3.992 -9.093 -2.974 90 HB3 ARG 17 HB1 ARG 17 -5.662 -8.817 -2.499 91 HG2 ARG 17 HG2 ARG 17 -6.360 -10.607 -4.025 92 HG3 ARG 17 HG1 ARG 17 -4.667 -10.930 -4.396 93 HD2 ARG 17 HD2 ARG 17 -5.489 -12.481 -2.719 94 HD3 ARG 17 HD1 ARG 17 -4.257 -11.419 -2.035 95 HE ARG 17 HE ARG 17 -6.378 -10.089 -1.274 96 HH11 ARG 17 HH11 ARG 17 -6.176 -13.567 -1.536 97 HH12 ARG 17 HH12 ARG 17 -7.140 -13.864 -0.116 98 HH21 ARG 17 HH21 ARG 17 -7.675 -10.457 0.563 99 HH22 ARG 17 HH22 ARG 17 -7.975 -12.088 1.096 100 H SER 18 HN SER 18 -7.461 -8.048 -3.278 101 HA SER 18 HA SER 18 -8.897 -9.289 -5.482 102 HB2 SER 18 HB2 SER 18 -10.011 -8.416 -2.809 103 HB3 SER 18 HB1 SER 18 -10.705 -9.587 -3.932 104 HG SER 18 HG SER 18 -8.441 -9.824 -2.262 105 H SER 19 HN SER 19 -8.249 -6.178 -4.393 106 HA SER 19 HA SER 19 -10.730 -5.021 -5.350 107 HB2 SER 19 HB2 SER 19 -9.501 -2.870 -4.633 108 HB3 SER 19 HB1 SER 19 -9.972 -4.017 -3.374 109 HG SER 19 HG SER 19 -7.939 -4.493 -3.013 110 H GLY 20 HN GLY 20 -7.538 -5.626 -6.509 111 HA2 GLY 20 HA2 GLY 20 -6.443 -5.047 -8.447 112 HA3 GLY 20 HA1 GLY 20 -8.030 -4.674 -9.112 113 H ARG 21 HN ARG 21 -5.809 -3.321 -6.675 114 HA ARG 21 HA ARG 21 -6.288 -0.644 -7.830 115 HB2 ARG 21 HB2 ARG 21 -7.901 -0.906 -5.988 116 HB3 ARG 21 HB1 ARG 21 -6.585 -1.297 -4.887 117 HG2 ARG 21 HG2 ARG 21 -5.649 0.913 -5.167 118 HG3 ARG 21 HG1 ARG 21 -6.887 1.316 -6.352 119 HD2 ARG 21 HD2 ARG 21 -8.610 1.105 -4.646 120 HD3 ARG 21 HD1 ARG 21 -7.391 0.645 -3.457 121 HE ARG 21 HE ARG 21 -6.419 2.900 -3.801 122 HH11 ARG 21 HH11 ARG 21 -9.790 2.349 -4.577 123 HH12 ARG 21 HH12 ARG 21 -10.236 4.013 -4.380 124 HH21 ARG 21 HH21 ARG 21 -7.001 5.090 -3.554 125 HH22 ARG 21 HH22 ARG 21 -8.655 5.568 -3.815 126 H VAL 22 HN VAL 22 -4.587 0.899 -7.427 127 HA VAL 22 HA VAL 22 -2.094 -0.371 -6.608 128 HB VAL 22 HB VAL 22 -1.045 1.835 -7.232 129 HG11 VAL 22 HG11 VAL 22 -1.069 -0.037 -8.780 130 HG12 VAL 22 HG12 VAL 22 -1.311 1.474 -9.655 131 HG13 VAL 22 HG13 VAL 22 -2.681 0.413 -9.335 132 HG21 VAL 22 HG21 VAL 22 -2.985 3.277 -6.934 133 HG22 VAL 22 HG22 VAL 22 -3.829 2.436 -8.233 134 HG23 VAL 22 HG23 VAL 22 -2.386 3.385 -8.589 135 H TYR 23 HN TYR 23 -1.332 -0.282 -4.609 136 HA TYR 23 HA TYR 23 -2.119 1.980 -2.903 137 HB2 TYR 23 HB2 TYR 23 -2.528 0.631 -1.048 138 HB3 TYR 23 HB1 TYR 23 -3.284 -0.236 -2.372 139 HD1 TYR 23 HD2 TYR 23 -2.243 -2.319 -3.223 140 HD2 TYR 23 HD1 TYR 23 -0.743 -0.327 0.220 141 HE1 TYR 23 HE2 TYR 23 -1.067 -4.367 -2.557 142 HE2 TYR 23 HE1 TYR 23 0.436 -2.376 0.894 143 HH TYR 23 HH TYR 23 0.443 -5.256 -1.168 144 H TYR 24 HN TYR 24 -0.555 2.604 -1.312 145 HA TYR 24 HA TYR 24 2.162 2.124 -2.246 146 HB2 TYR 24 HB2 TYR 24 0.961 4.095 -0.306 147 HB3 TYR 24 HB1 TYR 24 2.692 3.939 -0.552 148 HD1 TYR 24 HD2 TYR 24 -0.489 4.905 -2.171 149 HD2 TYR 24 HD1 TYR 24 3.757 4.919 -2.423 150 HE1 TYR 24 HE2 TYR 24 -0.606 6.546 -3.998 151 HE2 TYR 24 HE1 TYR 24 3.651 6.565 -4.243 152 HH TYR 24 HH TYR 24 0.891 8.324 -4.955 153 H PHE 25 HN PHE 25 3.110 0.376 -1.385 154 HA PHE 25 HA PHE 25 2.692 -0.276 1.446 155 HB2 PHE 25 HB2 PHE 25 2.342 -2.213 0.126 156 HB3 PHE 25 HB1 PHE 25 3.720 -1.861 -0.909 157 HD1 PHE 25 HD2 PHE 25 2.665 -3.235 2.347 158 HD2 PHE 25 HD1 PHE 25 5.936 -2.448 -0.269 159 HE1 PHE 25 HE2 PHE 25 4.120 -4.653 3.730 160 HE2 PHE 25 HE1 PHE 25 7.381 -3.872 1.104 161 HZ PHE 25 HZ PHE 25 6.491 -4.958 3.109 162 H ASN 26 HN ASN 26 4.161 0.440 2.843 163 HA ASN 26 HA ASN 26 6.906 0.931 1.879 164 HB2 ASN 26 HB2 ASN 26 5.737 2.937 2.731 165 HB3 ASN 26 HB1 ASN 26 5.454 2.119 4.265 166 HD21 ASN 26 HD21 ASN 26 6.778 4.587 3.938 167 HD22 ASN 26 HD22 ASN 26 8.411 4.386 4.465 168 H HIS 27 HN HIS 27 8.498 -0.389 2.689 169 HA HIS 27 HA HIS 27 7.723 -2.068 4.974 170 HB2 HIS 27 HB2 HIS 27 9.644 -3.580 4.215 171 HB3 HIS 27 HB1 HIS 27 8.155 -3.585 3.287 172 HD1 HIS 27 HD1 HIS 27 11.569 -1.849 3.090 173 HD2 HIS 27 HD2 HIS 27 8.573 -3.455 0.687 174 HE1 HIS 27 HE1 HIS 27 12.409 -1.641 0.728 175 HE2 HIS 27 HE2 HIS 27 10.527 -2.484 -0.725 176 H ILE 28 HN ILE 28 9.512 0.650 4.543 177 HA ILE 28 HA ILE 28 11.598 -0.095 6.410 178 HB ILE 28 HB ILE 28 12.207 2.217 6.573 179 HG12 ILE 28 HG12 ILE 28 9.753 2.991 4.982 180 HG13 ILE 28 HG11 ILE 28 9.821 3.067 6.740 181 HG21 ILE 28 HG21 ILE 28 11.389 1.614 3.738 182 HG22 ILE 28 HG22 ILE 28 12.891 1.124 4.523 183 HG23 ILE 28 HG23 ILE 28 12.565 2.833 4.230 184 HD11 ILE 28 HD11 ILE 28 11.637 4.677 6.604 185 HD12 ILE 28 HD12 ILE 28 10.210 5.236 5.733 186 HD13 ILE 28 HD13 ILE 28 11.590 4.590 4.843 187 H THR 29 HN THR 29 8.477 1.512 6.464 188 HA THR 29 HA THR 29 8.352 1.427 9.361 189 HB THR 29 HB THR 29 6.070 2.400 8.991 190 HG1 THR 29 HG1 THR 29 5.518 3.012 6.891 191 HG21 THR 29 HG21 THR 29 6.864 4.590 8.227 192 HG22 THR 29 HG22 THR 29 8.350 3.840 7.639 193 HG23 THR 29 HG23 THR 29 7.992 3.855 9.367 194 H ASN 30 HN ASN 30 7.513 -0.447 6.640 195 HA ASN 30 HA ASN 30 6.560 -2.497 6.337 196 HB2 ASN 30 HB2 ASN 30 7.756 -2.849 8.660 197 HB3 ASN 30 HB1 ASN 30 6.116 -2.816 9.294 198 HD21 ASN 30 HD21 ASN 30 8.044 -4.974 9.249 199 HD22 ASN 30 HD22 ASN 30 7.301 -6.283 8.402 200 H ALA 31 HN ALA 31 5.099 0.071 6.711 201 HA ALA 31 HA ALA 31 2.461 -0.914 7.527 202 HB1 ALA 31 HB1 ALA 31 3.404 1.910 7.058 203 HB2 ALA 31 HB2 ALA 31 3.216 1.129 8.627 204 HB3 ALA 31 HB3 ALA 31 1.801 1.436 7.621 205 H SER 32 HN SER 32 0.933 -1.289 6.066 206 HA SER 32 HA SER 32 1.446 -0.616 3.264 207 HB2 SER 32 HB2 SER 32 -0.640 -2.420 4.520 208 HB3 SER 32 HB1 SER 32 -0.353 -2.236 2.794 209 HG SER 32 HG SER 32 1.445 -3.271 4.732 210 H GLN 33 HN GLN 33 0.489 1.141 2.407 211 HA GLN 33 HA GLN 33 -1.927 2.176 3.744 212 HB2 GLN 33 HB2 GLN 33 0.290 3.852 2.564 213 HB3 GLN 33 HB1 GLN 33 -1.108 4.426 3.460 214 HG2 GLN 33 HG2 GLN 33 1.015 2.646 4.624 215 HG3 GLN 33 HG1 GLN 33 1.023 4.403 4.746 216 HE21 GLN 33 HE21 GLN 33 0.858 2.314 6.805 217 HE22 GLN 33 HE22 GLN 33 -0.570 2.668 7.708 218 H TRP 34 HN TRP 34 -3.557 1.995 2.395 219 HA TRP 34 HA TRP 34 -3.250 2.173 -0.491 220 HB2 TRP 34 HB2 TRP 34 -5.677 1.868 1.292 221 HB3 TRP 34 HB1 TRP 34 -5.752 1.942 -0.469 222 HD1 TRP 34 HD1 TRP 34 -3.097 -0.120 1.404 223 HE1 TRP 34 HE1 TRP 34 -3.515 -2.595 0.863 224 HE3 TRP 34 HE3 TRP 34 -7.424 0.369 -1.199 225 HZ2 TRP 34 HZ2 TRP 34 -5.457 -4.138 -0.461 226 HZ3 TRP 34 HZ3 TRP 34 -8.533 -1.659 -2.056 227 HH2 TRP 34 HH2 TRP 34 -7.554 -3.862 -1.687 228 H GLU 35 HN GLU 35 -4.369 3.959 2.220 229 HA GLU 35 HA GLU 35 -5.492 6.077 0.623 230 HB2 GLU 35 HB2 GLU 35 -6.327 6.915 2.678 231 HB3 GLU 35 HB1 GLU 35 -6.415 5.140 2.838 232 HG2 GLU 35 HG2 GLU 35 -4.009 6.604 3.862 233 HG3 GLU 35 HG1 GLU 35 -5.512 6.643 4.785 234 H ARG 36 HN ARG 36 -4.555 8.334 0.847 235 HA ARG 36 HA ARG 36 -1.954 7.886 -0.195 236 HB2 ARG 36 HB2 ARG 36 -3.626 9.488 -1.129 237 HB3 ARG 36 HB1 ARG 36 -3.312 10.544 0.240 238 HG2 ARG 36 HG2 ARG 36 -0.956 10.710 -0.458 239 HG3 ARG 36 HG1 ARG 36 -1.320 9.694 -1.854 240 HD2 ARG 36 HD2 ARG 36 -1.322 12.009 -2.522 241 HD3 ARG 36 HD1 ARG 36 -2.962 11.375 -2.604 242 HE ARG 36 HE ARG 36 -2.286 12.717 -0.129 243 HH11 ARG 36 HH11 ARG 36 -3.590 13.048 -3.360 244 HH12 ARG 36 HH12 ARG 36 -4.523 14.468 -2.975 245 HH21 ARG 36 HH21 ARG 36 -3.481 14.585 0.380 246 HH22 ARG 36 HH22 ARG 36 -4.461 15.341 -0.836 247 HA PRO 37 HA PRO 37 0.642 8.448 3.334 248 HB2 PRO 37 HB2 PRO 37 2.830 9.408 1.874 249 HB3 PRO 37 HB1 PRO 37 2.503 7.711 2.236 250 HG2 PRO 37 HG2 PRO 37 1.974 9.266 -0.242 251 HG3 PRO 37 HG1 PRO 37 2.388 7.553 -0.051 252 HD2 PRO 37 HD2 PRO 37 -0.105 8.373 -0.652 253 HD3 PRO 37 HD1 PRO 37 0.195 6.945 0.353 254 H SER 38 HN SER 38 0.205 10.999 0.961 255 HA SER 38 HA SER 38 1.114 12.983 2.893 256 HB2 SER 38 HB2 SER 38 0.656 14.510 0.811 257 HB3 SER 38 HB1 SER 38 2.094 13.487 0.854 258 HG SER 38 HG SER 38 1.162 13.120 -1.101 259 H GLY 39 HN GLY 39 -0.378 13.619 4.284 260 HA2 GLY 39 HA2 GLY 39 -2.996 14.430 3.240 261 HA3 GLY 39 HA1 GLY 39 -2.926 13.336 4.617 262 H1 ARG 208 HT1 ARG 208 0.451 -13.876 1.446 263 H2 ARG 208 HT2 ARG 208 -0.202 -14.994 0.356 264 H3 ARG 208 HT3 ARG 208 -0.923 -14.767 1.873 265 HA ARG 208 HA ARG 208 -0.731 -12.719 -0.254 266 HB2 ARG 208 HB2 ARG 208 -3.235 -13.039 -0.368 267 HB3 ARG 208 HB1 ARG 208 -2.278 -14.365 -1.008 268 HG2 ARG 208 HG2 ARG 208 -2.631 -15.617 1.061 269 HG3 ARG 208 HG1 ARG 208 -3.592 -14.283 1.701 270 HD2 ARG 208 HD2 ARG 208 -5.031 -16.037 0.833 271 HD3 ARG 208 HD1 ARG 208 -5.195 -14.568 -0.128 272 HE ARG 208 HE ARG 208 -3.298 -16.052 -1.437 273 HH11 ARG 208 HH11 ARG 208 -6.625 -16.555 -0.449 274 HH12 ARG 208 HH12 ARG 208 -6.971 -17.665 -1.743 275 HH21 ARG 208 HH21 ARG 208 -3.752 -17.484 -3.141 276 HH22 ARG 208 HH22 ARG 208 -5.332 -18.202 -3.270 277 H ILE 209 HN ILE 209 -0.968 -10.719 0.458 278 HA ILE 209 HA ILE 209 -2.392 -10.263 2.987 279 HB ILE 209 HB ILE 209 0.212 -8.838 2.356 280 HG12 ILE 209 HG12 ILE 209 -0.234 -11.101 4.329 281 HG13 ILE 209 HG11 ILE 209 0.620 -11.262 2.798 282 HG21 ILE 209 HG21 ILE 209 -1.483 -8.969 4.850 283 HG22 ILE 209 HG22 ILE 209 -1.326 -7.593 3.757 284 HG23 ILE 209 HG23 ILE 209 0.062 -8.132 4.702 285 HD11 ILE 209 HD11 ILE 209 1.448 -9.542 5.123 286 HD12 ILE 209 HD12 ILE 209 2.297 -9.664 3.583 287 HD13 ILE 209 HD13 ILE 209 2.174 -11.073 4.636 288 H SEP 210 HN SEP 210 -4.106 -9.012 2.317 289 HA SEP 210 HA SEP 210 -3.193 -6.423 1.322 290 HB2 SEP 210 HB2 SEP 210 -4.843 -6.016 -0.128 291 HB3 SEP 210 HB1 SEP 210 -4.279 -7.636 -0.588 292 HA PRO 211 HA PRO 211 -5.293 -4.643 4.687 293 HB2 PRO 211 HB2 PRO 211 -4.555 -2.254 3.135 294 HB3 PRO 211 HB1 PRO 211 -3.935 -2.771 4.709 295 HG2 PRO 211 HG2 PRO 211 -2.390 -2.795 2.531 296 HG3 PRO 211 HG1 PRO 211 -2.284 -4.100 3.731 297 HD2 PRO 211 HD2 PRO 211 -3.798 -4.087 1.133 298 HD3 PRO 211 HD1 PRO 211 -2.715 -5.299 1.746 299 HA PRO 212 HA PRO 212 -9.217 -3.561 2.936 300 HB2 PRO 212 HB2 PRO 212 -10.316 -3.639 5.427 301 HB3 PRO 212 HB1 PRO 212 -10.055 -5.092 4.452 302 HG2 PRO 212 HG2 PRO 212 -8.299 -3.955 6.620 303 HG3 PRO 212 HG1 PRO 212 -8.842 -5.632 6.409 304 HD2 PRO 212 HD2 PRO 212 -6.433 -4.746 5.708 305 HD3 PRO 212 HD1 PRO 212 -7.269 -5.968 4.743 306 H LEU 213 HN LEU 213 -8.749 -1.382 2.397 307 HA LEU 213 HA LEU 213 -9.006 0.558 4.610 308 HB2 LEU 213 HB2 LEU 213 -7.087 0.559 2.305 309 HB3 LEU 213 HB1 LEU 213 -7.713 2.131 2.832 310 HG LEU 213 HG LEU 213 -6.624 2.046 4.841 311 HD11 LEU 213 HD11 LEU 213 -6.299 -0.936 4.595 312 HD12 LEU 213 HD12 LEU 213 -7.419 -0.096 5.668 313 HD13 LEU 213 HD13 LEU 213 -5.681 0.061 5.912 314 HD21 LEU 213 HD21 LEU 213 -4.325 1.225 4.446 315 HD22 LEU 213 HD22 LEU 213 -4.965 2.227 3.147 316 HD23 LEU 213 HD23 LEU 213 -4.902 0.472 2.959 317 HA PRO 214 HA PRO 214 -12.715 1.416 2.742 318 HB2 PRO 214 HB2 PRO 214 -13.326 3.777 3.911 319 HB3 PRO 214 HB1 PRO 214 -13.282 2.247 4.790 320 HG2 PRO 214 HG2 PRO 214 -11.265 4.443 4.705 321 HG3 PRO 214 HG1 PRO 214 -11.757 3.421 6.067 322 HD2 PRO 214 HD2 PRO 214 -9.464 3.050 4.580 323 HD3 PRO 214 HD1 PRO 214 -10.260 1.776 5.511 324 H PHE 215 HN PHE 215 -10.084 3.392 1.956 325 HA PHE 215 HA PHE 215 -11.614 5.254 0.338 326 HB2 PHE 215 HB2 PHE 215 -8.632 4.954 0.751 327 HB3 PHE 215 HB1 PHE 215 -9.385 6.209 -0.228 328 HD1 PHE 215 HD2 PHE 215 -10.718 7.971 0.818 329 HD2 PHE 215 HD1 PHE 215 -8.652 5.060 3.136 330 HE1 PHE 215 HE2 PHE 215 -10.974 9.382 2.815 331 HE2 PHE 215 HE1 PHE 215 -8.908 6.465 5.140 332 HZ PHE 215 HZ PHE 215 -10.071 8.632 4.980 Start of MODEL 12 1 H1 LEU 7 HT1 LEU 7 9.747 10.446 -1.469 2 H2 LEU 7 HT2 LEU 7 11.047 9.704 -0.685 3 H3 LEU 7 HT3 LEU 7 10.177 10.930 0.092 4 HA LEU 7 HA LEU 7 9.555 8.849 1.003 5 HB2 LEU 7 HB2 LEU 7 7.878 10.745 0.432 6 HB3 LEU 7 HB1 LEU 7 7.273 9.627 -0.775 7 HG LEU 7 HG LEU 7 6.850 7.971 1.037 8 HD11 LEU 7 HD11 LEU 7 8.479 8.788 2.654 9 HD12 LEU 7 HD12 LEU 7 6.862 8.754 3.355 10 HD13 LEU 7 HD13 LEU 7 7.567 10.285 2.837 11 HD21 LEU 7 HD21 LEU 7 4.877 9.112 1.934 12 HD22 LEU 7 HD22 LEU 7 5.059 9.397 0.202 13 HD23 LEU 7 HD23 LEU 7 5.508 10.655 1.354 14 HA PRO 8 HA PRO 8 8.145 6.218 -3.033 15 HB2 PRO 8 HB2 PRO 8 10.149 6.848 -4.939 16 HB3 PRO 8 HB1 PRO 8 8.410 7.127 -5.064 17 HG2 PRO 8 HG2 PRO 8 10.575 8.983 -4.232 18 HG3 PRO 8 HG1 PRO 8 9.055 9.330 -5.078 19 HD2 PRO 8 HD2 PRO 8 9.377 9.967 -2.511 20 HD3 PRO 8 HD1 PRO 8 7.826 9.335 -3.104 21 HA PRO 9 HA PRO 9 12.850 4.575 -2.895 22 HB2 PRO 9 HB2 PRO 9 13.996 5.556 -0.532 23 HB3 PRO 9 HB1 PRO 9 14.462 5.989 -2.179 24 HG2 PRO 9 HG2 PRO 9 12.666 7.417 -0.276 25 HG3 PRO 9 HG1 PRO 9 13.820 8.081 -1.450 26 HD2 PRO 9 HD2 PRO 9 11.204 8.130 -1.941 27 HD3 PRO 9 HD1 PRO 9 12.359 7.768 -3.243 28 H GLY 10 HN GLY 10 10.812 5.397 -0.130 29 HA2 GLY 10 HA2 GLY 10 11.323 2.729 0.999 30 HA3 GLY 10 HA1 GLY 10 10.580 4.072 1.857 31 H TRP 11 HN TRP 11 8.735 4.825 -0.143 32 HA TRP 11 HA TRP 11 6.748 2.757 0.320 33 HB2 TRP 11 HB2 TRP 11 6.545 5.603 -0.670 34 HB3 TRP 11 HB1 TRP 11 5.149 4.533 -0.543 35 HD1 TRP 11 HD1 TRP 11 7.868 6.107 1.748 36 HE1 TRP 11 HE1 TRP 11 6.871 6.447 4.088 37 HE3 TRP 11 HE3 TRP 11 3.334 3.895 1.000 38 HZ2 TRP 11 HZ2 TRP 11 4.474 5.850 5.436 39 HZ3 TRP 11 HZ3 TRP 11 1.746 3.818 2.872 40 HH2 TRP 11 HH2 TRP 11 2.305 4.774 5.045 41 H GLU 12 HN GLU 12 6.940 1.166 -1.118 42 HA GLU 12 HA GLU 12 7.375 1.720 -3.951 43 HB2 GLU 12 HB2 GLU 12 6.887 -0.952 -2.612 44 HB3 GLU 12 HB1 GLU 12 7.558 -0.667 -4.211 45 HG2 GLU 12 HG2 GLU 12 9.541 0.354 -3.196 46 HG3 GLU 12 HG1 GLU 12 8.877 0.020 -1.596 47 H LYS 13 HN LYS 13 5.790 1.488 -5.510 48 HA LYS 13 HA LYS 13 3.121 1.243 -4.402 49 HB2 LYS 13 HB2 LYS 13 4.038 2.167 -7.118 50 HB3 LYS 13 HB1 LYS 13 2.345 2.040 -6.631 51 HG2 LYS 13 HG2 LYS 13 2.836 3.538 -4.722 52 HG3 LYS 13 HG1 LYS 13 4.463 3.742 -5.351 53 HD2 LYS 13 HD2 LYS 13 3.156 5.614 -5.976 54 HD3 LYS 13 HD1 LYS 13 3.486 4.673 -7.430 55 HE2 LYS 13 HE2 LYS 13 0.930 4.438 -5.857 56 HE3 LYS 13 HE1 LYS 13 1.137 5.598 -7.163 57 HZ1 LYS 13 HZ1 LYS 13 1.224 2.645 -7.358 58 HZ2 LYS 13 HZ2 LYS 13 1.690 3.670 -8.619 59 HZ3 LYS 13 HZ3 LYS 13 0.093 3.697 -8.054 60 H ARG 14 HN ARG 14 2.854 -0.722 -3.967 61 HA ARG 14 HA ARG 14 3.138 -2.845 -5.940 62 HB2 ARG 14 HB2 ARG 14 4.091 -3.380 -3.822 63 HB3 ARG 14 HB1 ARG 14 2.691 -2.780 -2.949 64 HG2 ARG 14 HG2 ARG 14 2.038 -4.902 -2.827 65 HG3 ARG 14 HG1 ARG 14 1.655 -4.787 -4.545 66 HD2 ARG 14 HD2 ARG 14 4.240 -5.744 -3.323 67 HD3 ARG 14 HD1 ARG 14 3.031 -6.733 -4.134 68 HE ARG 14 HE ARG 14 4.699 -4.700 -5.486 69 HH11 ARG 14 HH11 ARG 14 2.918 -7.719 -5.514 70 HH12 ARG 14 HH12 ARG 14 3.449 -8.171 -7.106 71 HH21 ARG 14 HH21 ARG 14 5.427 -5.301 -7.551 72 HH22 ARG 14 HH22 ARG 14 4.924 -6.818 -8.244 73 H MET 15 HN MET 15 1.283 -4.229 -6.391 74 HA MET 15 HA MET 15 -1.096 -2.572 -6.541 75 HB2 MET 15 HB2 MET 15 -0.371 -5.203 -7.840 76 HB3 MET 15 HB1 MET 15 -1.917 -4.401 -8.067 77 HG2 MET 15 HG2 MET 15 -0.564 -3.901 -9.939 78 HG3 MET 15 HG1 MET 15 -0.682 -2.436 -8.968 79 HE1 MET 15 HE1 MET 15 1.464 -2.639 -11.224 80 HE2 MET 15 HE2 MET 15 2.902 -2.041 -10.394 81 HE3 MET 15 HE3 MET 15 1.339 -1.272 -10.115 82 H SER 16 HN SER 16 -3.030 -3.065 -5.767 83 HA SER 16 HA SER 16 -3.082 -4.729 -3.394 84 HB2 SER 16 HB2 SER 16 -5.267 -2.963 -4.499 85 HB3 SER 16 HB1 SER 16 -5.068 -3.516 -2.842 86 HG SER 16 HG SER 16 -4.187 -1.602 -2.661 87 H ARG 17 HN ARG 17 -4.450 -6.411 -3.094 88 HA ARG 17 HA ARG 17 -4.590 -8.000 -5.416 89 HB2 ARG 17 HB2 ARG 17 -3.878 -8.827 -3.230 90 HB3 ARG 17 HB1 ARG 17 -5.489 -8.549 -2.592 91 HG2 ARG 17 HG2 ARG 17 -6.414 -10.243 -3.940 92 HG3 ARG 17 HG1 ARG 17 -4.923 -10.427 -4.863 93 HD2 ARG 17 HD2 ARG 17 -3.796 -11.176 -2.800 94 HD3 ARG 17 HD1 ARG 17 -5.335 -11.061 -1.944 95 HE ARG 17 HE ARG 17 -4.800 -12.923 -4.176 96 HH11 ARG 17 HH11 ARG 17 -6.457 -12.069 -1.200 97 HH12 ARG 17 HH12 ARG 17 -7.231 -13.626 -1.044 98 HH21 ARG 17 HH21 ARG 17 -5.838 -14.945 -3.992 99 HH22 ARG 17 HH22 ARG 17 -6.896 -15.254 -2.642 100 H SER 18 HN SER 18 -7.213 -7.460 -3.036 101 HA SER 18 HA SER 18 -9.096 -8.638 -4.796 102 HB2 SER 18 HB2 SER 18 -9.744 -7.009 -2.345 103 HB3 SER 18 HB1 SER 18 -10.684 -8.323 -3.055 104 HG SER 18 HG SER 18 -9.624 -9.474 -1.630 105 H SER 19 HN SER 19 -8.412 -5.260 -3.960 106 HA SER 19 HA SER 19 -10.804 -4.415 -5.370 107 HB2 SER 19 HB2 SER 19 -10.152 -3.442 -3.157 108 HB3 SER 19 HB1 SER 19 -8.772 -2.686 -3.953 109 HG SER 19 HG SER 19 -11.530 -2.263 -4.523 110 H GLY 20 HN GLY 20 -7.575 -4.952 -6.225 111 HA2 GLY 20 HA2 GLY 20 -6.326 -4.349 -8.067 112 HA3 GLY 20 HA1 GLY 20 -7.842 -3.850 -8.807 113 H ARG 21 HN ARG 21 -5.621 -2.757 -6.248 114 HA ARG 21 HA ARG 21 -6.125 0.032 -7.142 115 HB2 ARG 21 HB2 ARG 21 -5.852 -0.933 -4.287 116 HB3 ARG 21 HB1 ARG 21 -6.007 0.745 -4.780 117 HG2 ARG 21 HG2 ARG 21 -8.079 -1.393 -5.218 118 HG3 ARG 21 HG1 ARG 21 -8.107 -0.183 -3.935 119 HD2 ARG 21 HD2 ARG 21 -8.078 0.470 -6.878 120 HD3 ARG 21 HD1 ARG 21 -9.545 0.355 -5.908 121 HE ARG 21 HE ARG 21 -8.589 2.212 -4.544 122 HH11 ARG 21 HH11 ARG 21 -7.533 1.707 -7.842 123 HH12 ARG 21 HH12 ARG 21 -7.111 3.373 -8.111 124 HH21 ARG 21 HH21 ARG 21 -8.090 4.422 -4.898 125 HH22 ARG 21 HH22 ARG 21 -7.442 4.922 -6.436 126 H VAL 22 HN VAL 22 -4.338 1.503 -6.950 127 HA VAL 22 HA VAL 22 -1.762 0.174 -6.635 128 HB VAL 22 HB VAL 22 -0.899 2.594 -7.125 129 HG11 VAL 22 HG11 VAL 22 -0.683 0.667 -8.632 130 HG12 VAL 22 HG12 VAL 22 -1.046 2.142 -9.527 131 HG13 VAL 22 HG13 VAL 22 -2.316 0.953 -9.233 132 HG21 VAL 22 HG21 VAL 22 -2.449 3.905 -8.503 133 HG22 VAL 22 HG22 VAL 22 -3.055 3.714 -6.857 134 HG23 VAL 22 HG23 VAL 22 -3.732 2.744 -8.166 135 H TYR 23 HN TYR 23 -1.614 -0.256 -4.445 136 HA TYR 23 HA TYR 23 -1.956 1.987 -2.607 137 HB2 TYR 23 HB2 TYR 23 -2.239 0.493 -0.871 138 HB3 TYR 23 HB1 TYR 23 -2.993 -0.330 -2.222 139 HD1 TYR 23 HD2 TYR 23 -1.765 -2.242 -3.304 140 HD2 TYR 23 HD1 TYR 23 -0.474 -0.492 0.347 141 HE1 TYR 23 HE2 TYR 23 -0.466 -4.262 -2.805 142 HE2 TYR 23 HE1 TYR 23 0.828 -2.520 0.861 143 HH TYR 23 HH TYR 23 1.395 -4.972 -1.459 144 H TYR 24 HN TYR 24 -0.367 2.541 -1.083 145 HA TYR 24 HA TYR 24 2.348 2.302 -2.104 146 HB2 TYR 24 HB2 TYR 24 1.279 3.907 0.222 147 HB3 TYR 24 HB1 TYR 24 2.870 4.059 -0.512 148 HD1 TYR 24 HD1 TYR 24 2.939 4.753 -2.986 149 HD2 TYR 24 HD2 TYR 24 -0.475 5.258 -0.505 150 HE1 TYR 24 HE1 TYR 24 2.123 6.500 -4.482 151 HE2 TYR 24 HE2 TYR 24 -1.322 6.999 -2.016 152 HH TYR 24 HH TYR 24 -0.185 7.483 -5.083 153 H PHE 25 HN PHE 25 3.369 0.450 -1.413 154 HA PHE 25 HA PHE 25 2.970 -0.385 1.372 155 HB2 PHE 25 HB2 PHE 25 2.674 -2.229 -0.119 156 HB3 PHE 25 HB1 PHE 25 4.147 -1.835 -1.006 157 HD1 PHE 25 HD1 PHE 25 2.931 -2.913 2.342 158 HD2 PHE 25 HD2 PHE 25 6.166 -2.821 -0.422 159 HE1 PHE 25 HE1 PHE 25 4.244 -4.361 3.835 160 HE2 PHE 25 HE2 PHE 25 7.477 -4.276 1.062 161 HZ PHE 25 HZ PHE 25 6.529 -5.034 3.195 162 H ASN 26 HN ASN 26 4.411 0.203 2.833 163 HA ASN 26 HA ASN 26 7.169 0.720 1.934 164 HB2 ASN 26 HB2 ASN 26 6.103 2.812 2.508 165 HB3 ASN 26 HB1 ASN 26 5.564 2.157 4.050 166 HD21 ASN 26 HD21 ASN 26 6.616 3.936 5.021 167 HD22 ASN 26 HD22 ASN 26 8.326 3.935 5.257 168 H HIS 27 HN HIS 27 8.621 -0.605 2.812 169 HA HIS 27 HA HIS 27 7.737 -2.263 5.043 170 HB2 HIS 27 HB2 HIS 27 10.000 -3.490 4.431 171 HB3 HIS 27 HB1 HIS 27 8.505 -3.788 3.557 172 HD1 HIS 27 HD1 HIS 27 11.751 -1.839 3.203 173 HD2 HIS 27 HD2 HIS 27 8.604 -3.324 0.917 174 HE1 HIS 27 HE1 HIS 27 12.411 -1.450 0.800 175 HE2 HIS 27 HE2 HIS 27 10.451 -2.277 -0.563 176 H ILE 28 HN ILE 28 9.548 0.534 4.751 177 HA ILE 28 HA ILE 28 11.413 -0.120 6.838 178 HB ILE 28 HB ILE 28 11.963 2.200 7.024 179 HG12 ILE 28 HG12 ILE 28 9.738 2.977 5.134 180 HG13 ILE 28 HG11 ILE 28 9.505 2.963 6.884 181 HG21 ILE 28 HG21 ILE 28 12.848 1.066 5.071 182 HG22 ILE 28 HG22 ILE 28 12.546 2.767 4.715 183 HG23 ILE 28 HG23 ILE 28 11.428 1.531 4.135 184 HD11 ILE 28 HD11 ILE 28 10.024 5.182 6.093 185 HD12 ILE 28 HD12 ILE 28 11.527 4.599 5.371 186 HD13 ILE 28 HD13 ILE 28 11.321 4.579 7.124 187 H THR 29 HN THR 29 8.236 1.372 6.630 188 HA THR 29 HA THR 29 7.927 1.358 9.515 189 HB THR 29 HB THR 29 5.661 2.264 9.020 190 HG1 THR 29 HG1 THR 29 5.020 2.573 6.946 191 HG21 THR 29 HG21 THR 29 6.419 4.433 8.174 192 HG22 THR 29 HG22 THR 29 7.928 3.698 7.636 193 HG23 THR 29 HG23 THR 29 7.553 3.781 9.358 194 H ASN 30 HN ASN 30 7.344 -0.651 6.823 195 HA ASN 30 HA ASN 30 6.488 -2.738 6.543 196 HB2 ASN 30 HB2 ASN 30 7.511 -3.104 8.851 197 HB3 ASN 30 HB1 ASN 30 5.910 -2.812 9.514 198 HD21 ASN 30 HD21 ASN 30 4.376 -4.404 9.392 199 HD22 ASN 30 HD22 ASN 30 4.703 -5.988 8.784 200 H ALA 31 HN ALA 31 4.925 -0.149 6.810 201 HA ALA 31 HA ALA 31 2.252 -1.217 7.354 202 HB1 ALA 31 HB1 ALA 31 2.874 0.813 8.569 203 HB2 ALA 31 HB2 ALA 31 1.528 1.110 7.469 204 HB3 ALA 31 HB3 ALA 31 3.152 1.644 7.038 205 H SER 32 HN SER 32 0.616 -1.121 5.855 206 HA SER 32 HA SER 32 1.460 -0.547 3.090 207 HB2 SER 32 HB2 SER 32 -0.403 -2.245 2.533 208 HB3 SER 32 HB1 SER 32 1.101 -2.872 3.208 209 HG SER 32 HG SER 32 -1.139 -2.212 4.812 210 H GLN 33 HN GLN 33 0.600 1.300 2.407 211 HA GLN 33 HA GLN 33 -1.993 2.130 3.526 212 HB2 GLN 33 HB2 GLN 33 0.510 3.588 2.892 213 HB3 GLN 33 HB1 GLN 33 -1.002 4.433 2.603 214 HG2 GLN 33 HG2 GLN 33 -0.082 4.952 4.798 215 HG3 GLN 33 HG1 GLN 33 -1.656 4.171 4.912 216 HE21 GLN 33 HE21 GLN 33 -1.820 2.165 5.843 217 HE22 GLN 33 HE22 GLN 33 -0.517 1.412 6.695 218 H TRP 34 HN TRP 34 -3.387 1.352 1.952 219 HA TRP 34 HA TRP 34 -3.290 2.152 -0.788 220 HB2 TRP 34 HB2 TRP 34 -5.718 1.676 0.981 221 HB3 TRP 34 HB1 TRP 34 -5.712 1.714 -0.784 222 HD1 TRP 34 HD1 TRP 34 -3.116 -0.307 1.236 223 HE1 TRP 34 HE1 TRP 34 -3.526 -2.799 0.758 224 HE3 TRP 34 HE3 TRP 34 -7.343 0.112 -1.528 225 HZ2 TRP 34 HZ2 TRP 34 -5.438 -4.387 -0.581 226 HZ3 TRP 34 HZ3 TRP 34 -8.441 -1.936 -2.357 227 HH2 TRP 34 HH2 TRP 34 -7.492 -4.132 -1.891 228 H GLU 35 HN GLU 35 -4.450 3.362 2.191 229 HA GLU 35 HA GLU 35 -5.562 5.816 1.301 230 HB2 GLU 35 HB2 GLU 35 -5.814 6.203 3.682 231 HB3 GLU 35 HB1 GLU 35 -6.169 4.488 3.359 232 HG2 GLU 35 HG2 GLU 35 -3.774 4.018 4.010 233 HG3 GLU 35 HG1 GLU 35 -3.678 5.680 4.584 234 H ARG 36 HN ARG 36 -4.512 7.932 1.480 235 HA ARG 36 HA ARG 36 -1.830 7.682 0.544 236 HB2 ARG 36 HB2 ARG 36 -3.694 9.980 0.937 237 HB3 ARG 36 HB1 ARG 36 -1.994 10.292 0.615 238 HG2 ARG 36 HG2 ARG 36 -3.080 10.379 -1.467 239 HG3 ARG 36 HG1 ARG 36 -2.239 8.830 -1.427 240 HD2 ARG 36 HD2 ARG 36 -4.401 8.441 -2.339 241 HD3 ARG 36 HD1 ARG 36 -4.397 7.780 -0.704 242 HE ARG 36 HE ARG 36 -5.405 10.188 -0.240 243 HH11 ARG 36 HH11 ARG 36 -6.185 7.860 -2.738 244 HH12 ARG 36 HH12 ARG 36 -7.814 8.435 -2.939 245 HH21 ARG 36 HH21 ARG 36 -7.537 10.957 -0.521 246 HH22 ARG 36 HH22 ARG 36 -8.576 10.186 -1.686 247 HA PRO 37 HA PRO 37 0.512 7.725 4.247 248 HB2 PRO 37 HB2 PRO 37 2.486 9.280 2.648 249 HB3 PRO 37 HB1 PRO 37 2.712 7.776 3.549 250 HG2 PRO 37 HG2 PRO 37 2.557 7.762 0.897 251 HG3 PRO 37 HG1 PRO 37 1.803 6.479 1.859 252 HD2 PRO 37 HD2 PRO 37 0.545 8.796 0.463 253 HD3 PRO 37 HD1 PRO 37 -0.046 7.135 0.664 254 H SER 38 HN SER 38 0.101 10.764 2.502 255 HA SER 38 HA SER 38 -0.089 12.154 5.059 256 HB2 SER 38 HB2 SER 38 1.398 13.992 4.189 257 HB3 SER 38 HB1 SER 38 2.240 12.477 4.510 258 HG SER 38 HG SER 38 1.555 13.659 2.043 259 H GLY 39 HN GLY 39 -1.628 11.375 2.443 260 HA2 GLY 39 HA2 GLY 39 -2.567 14.088 1.768 261 HA3 GLY 39 HA1 GLY 39 -2.540 12.750 0.627 262 H1 ARG 208 HT1 ARG 208 -3.866 -12.220 0.398 263 H2 ARG 208 HT2 ARG 208 -4.759 -12.937 1.639 264 H3 ARG 208 HT3 ARG 208 -4.059 -13.910 0.439 265 HA ARG 208 HA ARG 208 -2.858 -13.970 2.556 266 HB2 ARG 208 HB2 ARG 208 -0.592 -13.332 1.536 267 HB3 ARG 208 HB1 ARG 208 -1.536 -14.565 0.717 268 HG2 ARG 208 HG2 ARG 208 -2.176 -11.977 -0.338 269 HG3 ARG 208 HG1 ARG 208 -0.433 -12.243 -0.377 270 HD2 ARG 208 HD2 ARG 208 -2.573 -14.009 -1.554 271 HD3 ARG 208 HD1 ARG 208 -1.386 -13.046 -2.435 272 HE ARG 208 HE ARG 208 -0.685 -15.367 -0.736 273 HH11 ARG 208 HH11 ARG 208 -0.268 -13.435 -3.639 274 HH12 ARG 208 HH12 ARG 208 1.053 -14.398 -4.242 275 HH21 ARG 208 HH21 ARG 208 1.038 -16.635 -1.527 276 HH22 ARG 208 HH22 ARG 208 1.799 -16.213 -3.037 277 H ILE 209 HN ILE 209 -0.677 -11.577 1.797 278 HA ILE 209 HA ILE 209 -1.646 -9.874 3.915 279 HB ILE 209 HB ILE 209 0.373 -8.410 3.145 280 HG12 ILE 209 HG12 ILE 209 1.077 -11.068 1.869 281 HG13 ILE 209 HG11 ILE 209 0.724 -9.577 1.002 282 HG21 ILE 209 HG21 ILE 209 0.297 -9.623 5.241 283 HG22 ILE 209 HG22 ILE 209 1.893 -9.793 4.507 284 HG23 ILE 209 HG23 ILE 209 0.738 -11.122 4.422 285 HD11 ILE 209 HD11 ILE 209 2.686 -8.532 1.997 286 HD12 ILE 209 HD12 ILE 209 3.116 -10.001 1.121 287 HD13 ILE 209 HD13 ILE 209 3.032 -10.015 2.883 288 H SEP 210 HN SEP 210 -3.621 -9.169 2.984 289 HA SEP 210 HA SEP 210 -3.037 -6.694 1.578 290 HB2 SEP 210 HB2 SEP 210 -4.968 -6.692 0.309 291 HB3 SEP 210 HB1 SEP 210 -3.933 -8.042 -0.198 292 HA PRO 211 HA PRO 211 -5.336 -4.740 4.726 293 HB2 PRO 211 HB2 PRO 211 -4.810 -2.475 2.980 294 HB3 PRO 211 HB1 PRO 211 -4.073 -2.823 4.552 295 HG2 PRO 211 HG2 PRO 211 -2.675 -2.870 2.245 296 HG3 PRO 211 HG1 PRO 211 -2.326 -4.004 3.568 297 HD2 PRO 211 HD2 PRO 211 -3.957 -4.489 1.093 298 HD3 PRO 211 HD1 PRO 211 -2.734 -5.479 1.789 299 HA PRO 212 HA PRO 212 -9.293 -3.875 2.919 300 HB2 PRO 212 HB2 PRO 212 -10.370 -3.744 5.402 301 HB3 PRO 212 HB1 PRO 212 -10.077 -5.287 4.584 302 HG2 PRO 212 HG2 PRO 212 -8.332 -3.886 6.605 303 HG3 PRO 212 HG1 PRO 212 -8.854 -5.583 6.591 304 HD2 PRO 212 HD2 PRO 212 -6.462 -4.742 5.762 305 HD3 PRO 212 HD1 PRO 212 -7.282 -6.089 4.967 306 H LEU 213 HN LEU 213 -8.839 -1.749 2.204 307 HA LEU 213 HA LEU 213 -9.077 0.370 4.245 308 HB2 LEU 213 HB2 LEU 213 -7.044 0.132 2.048 309 HB3 LEU 213 HB1 LEU 213 -7.654 1.741 2.429 310 HG LEU 213 HG LEU 213 -6.690 1.758 4.530 311 HD11 LEU 213 HD11 LEU 213 -6.127 -1.188 4.320 312 HD12 LEU 213 HD12 LEU 213 -7.364 -0.444 5.332 313 HD13 LEU 213 HD13 LEU 213 -5.660 -0.129 5.653 314 HD21 LEU 213 HD21 LEU 213 -4.837 0.299 2.688 315 HD22 LEU 213 HD22 LEU 213 -4.338 1.129 4.166 316 HD23 LEU 213 HD23 LEU 213 -5.050 2.044 2.840 317 HA PRO 214 HA PRO 214 -12.465 1.650 1.834 318 HB2 PRO 214 HB2 PRO 214 -12.621 4.277 2.457 319 HB3 PRO 214 HB1 PRO 214 -13.007 2.994 3.608 320 HG2 PRO 214 HG2 PRO 214 -10.517 4.624 3.351 321 HG3 PRO 214 HG1 PRO 214 -11.372 4.106 4.815 322 HD2 PRO 214 HD2 PRO 214 -9.129 2.868 3.855 323 HD3 PRO 214 HD1 PRO 214 -10.364 2.044 4.818 324 H PHE 215 HN PHE 215 -9.377 2.801 1.080 325 HA PHE 215 HA PHE 215 -10.314 4.509 -1.097 326 HB2 PHE 215 HB2 PHE 215 -7.530 4.055 -0.003 327 HB3 PHE 215 HB1 PHE 215 -7.926 5.154 -1.321 328 HD1 PHE 215 HD1 PHE 215 -8.169 4.565 2.280 329 HD2 PHE 215 HD2 PHE 215 -9.015 7.258 -0.900 330 HE1 PHE 215 HE1 PHE 215 -8.606 6.342 3.916 331 HE2 PHE 215 HE2 PHE 215 -9.450 9.052 0.725 332 HZ PHE 215 HZ PHE 215 -9.248 8.598 3.138 Start of MODEL 13 1 H1 LEU 7 HT1 LEU 7 7.382 12.386 -2.252 2 H2 LEU 7 HT2 LEU 7 8.874 11.748 -2.744 3 H3 LEU 7 HT3 LEU 7 8.667 12.290 -1.151 4 HA LEU 7 HA LEU 7 7.058 10.560 -0.726 5 HB2 LEU 7 HB2 LEU 7 6.244 10.384 -3.054 6 HB3 LEU 7 HB1 LEU 7 7.767 9.653 -3.523 7 HG LEU 7 HG LEU 7 7.263 7.765 -1.946 8 HD11 LEU 7 HD11 LEU 7 4.943 7.490 -1.211 9 HD12 LEU 7 HD12 LEU 7 4.562 9.098 -1.825 10 HD13 LEU 7 HD13 LEU 7 5.698 8.910 -0.489 11 HD21 LEU 7 HD21 LEU 7 5.643 6.695 -3.428 12 HD22 LEU 7 HD22 LEU 7 6.871 7.567 -4.345 13 HD23 LEU 7 HD23 LEU 7 5.260 8.258 -4.147 14 HA PRO 8 HA PRO 8 10.886 8.862 0.855 15 HB2 PRO 8 HB2 PRO 8 8.961 6.951 2.073 16 HB3 PRO 8 HB1 PRO 8 10.234 7.909 2.838 17 HG2 PRO 8 HG2 PRO 8 7.676 8.589 3.114 18 HG3 PRO 8 HG1 PRO 8 8.932 9.827 2.908 19 HD2 PRO 8 HD2 PRO 8 6.958 8.778 0.922 20 HD3 PRO 8 HD1 PRO 8 7.548 10.436 1.160 21 HA PRO 9 HA PRO 9 11.640 5.676 -2.181 22 HB2 PRO 9 HB2 PRO 9 13.801 4.991 -0.254 23 HB3 PRO 9 HB1 PRO 9 13.892 5.283 -1.995 24 HG2 PRO 9 HG2 PRO 9 14.731 7.121 -0.265 25 HG3 PRO 9 HG1 PRO 9 13.863 7.587 -1.739 26 HD2 PRO 9 HD2 PRO 9 12.887 7.470 1.081 27 HD3 PRO 9 HD1 PRO 9 12.500 8.634 -0.204 28 H GLY 10 HN GLY 10 11.387 5.028 1.267 29 HA2 GLY 10 HA2 GLY 10 11.361 2.198 1.081 30 HA3 GLY 10 HA1 GLY 10 10.787 3.148 2.439 31 H TRP 11 HN TRP 11 8.987 4.459 0.168 32 HA TRP 11 HA TRP 11 6.792 2.590 0.621 33 HB2 TRP 11 HB2 TRP 11 6.904 5.439 -0.353 34 HB3 TRP 11 HB1 TRP 11 5.438 4.475 -0.510 35 HD1 TRP 11 HD1 TRP 11 7.664 6.115 2.159 36 HE1 TRP 11 HE1 TRP 11 6.347 6.287 4.353 37 HE3 TRP 11 HE3 TRP 11 3.553 3.406 0.817 38 HZ2 TRP 11 HZ2 TRP 11 3.886 5.384 5.380 39 HZ3 TRP 11 HZ3 TRP 11 1.760 3.101 2.475 40 HH2 TRP 11 HH2 TRP 11 1.926 4.071 4.704 41 H GLU 12 HN GLU 12 6.467 1.048 -0.776 42 HA GLU 12 HA GLU 12 7.437 1.323 -3.524 43 HB2 GLU 12 HB2 GLU 12 6.465 -1.153 -2.082 44 HB3 GLU 12 HB1 GLU 12 7.310 -1.093 -3.625 45 HG2 GLU 12 HG2 GLU 12 9.288 -0.166 -2.478 46 HG3 GLU 12 HG1 GLU 12 8.442 -0.338 -0.941 47 H LYS 13 HN LYS 13 6.133 0.964 -5.287 48 HA LYS 13 HA LYS 13 3.274 1.172 -4.836 49 HB2 LYS 13 HB2 LYS 13 4.994 1.330 -7.288 50 HB3 LYS 13 HB1 LYS 13 3.242 1.287 -7.391 51 HG2 LYS 13 HG2 LYS 13 4.939 3.367 -6.036 52 HG3 LYS 13 HG1 LYS 13 4.040 3.548 -7.544 53 HD2 LYS 13 HD2 LYS 13 2.807 2.947 -4.867 54 HD3 LYS 13 HD1 LYS 13 2.911 4.551 -5.585 55 HE2 LYS 13 HE2 LYS 13 1.444 2.181 -6.723 56 HE3 LYS 13 HE1 LYS 13 0.713 3.572 -5.929 57 HZ1 LYS 13 HZ1 LYS 13 0.516 4.001 -8.205 58 HZ2 LYS 13 HZ2 LYS 13 2.093 3.489 -8.547 59 HZ3 LYS 13 HZ3 LYS 13 1.839 4.944 -7.722 60 H ARG 14 HN ARG 14 2.487 -0.728 -4.205 61 HA ARG 14 HA ARG 14 3.031 -3.077 -5.889 62 HB2 ARG 14 HB2 ARG 14 3.823 -3.454 -3.641 63 HB3 ARG 14 HB1 ARG 14 2.308 -2.894 -2.952 64 HG2 ARG 14 HG2 ARG 14 1.187 -4.833 -4.074 65 HG3 ARG 14 HG1 ARG 14 2.786 -5.413 -4.534 66 HD2 ARG 14 HD2 ARG 14 1.897 -4.909 -1.702 67 HD3 ARG 14 HD1 ARG 14 1.866 -6.481 -2.490 68 HE ARG 14 HE ARG 14 4.461 -5.533 -2.724 69 HH11 ARG 14 HH11 ARG 14 2.229 -6.364 -0.168 70 HH12 ARG 14 HH12 ARG 14 3.466 -6.900 0.932 71 HH21 ARG 14 HH21 ARG 14 6.118 -6.210 -1.274 72 HH22 ARG 14 HH22 ARG 14 5.675 -6.798 0.300 73 H MET 15 HN MET 15 1.222 -4.431 -6.398 74 HA MET 15 HA MET 15 -1.180 -2.828 -6.749 75 HB2 MET 15 HB2 MET 15 -0.208 -4.034 -8.683 76 HB3 MET 15 HB1 MET 15 -0.487 -5.560 -7.857 77 HG2 MET 15 HG2 MET 15 -2.896 -5.144 -7.888 78 HG3 MET 15 HG1 MET 15 -2.617 -3.611 -8.711 79 HE1 MET 15 HE1 MET 15 -1.190 -4.801 -12.169 80 HE2 MET 15 HE2 MET 15 -0.239 -4.418 -10.734 81 HE3 MET 15 HE3 MET 15 -1.621 -3.413 -11.169 82 H SER 16 HN SER 16 -3.101 -3.249 -5.864 83 HA SER 16 HA SER 16 -3.202 -5.125 -3.649 84 HB2 SER 16 HB2 SER 16 -5.428 -3.314 -4.549 85 HB3 SER 16 HB1 SER 16 -5.120 -3.945 -2.935 86 HG SER 16 HG SER 16 -3.920 -1.817 -4.293 87 H ARG 17 HN ARG 17 -4.642 -6.762 -3.497 88 HA ARG 17 HA ARG 17 -4.801 -8.222 -5.904 89 HB2 ARG 17 HB2 ARG 17 -4.230 -9.175 -3.703 90 HB3 ARG 17 HB1 ARG 17 -5.865 -8.852 -3.154 91 HG2 ARG 17 HG2 ARG 17 -6.755 -10.380 -4.799 92 HG3 ARG 17 HG1 ARG 17 -5.130 -10.715 -5.398 93 HD2 ARG 17 HD2 ARG 17 -4.511 -11.617 -3.228 94 HD3 ARG 17 HD1 ARG 17 -6.110 -11.228 -2.595 95 HE ARG 17 HE ARG 17 -5.890 -13.062 -4.869 96 HH11 ARG 17 HH11 ARG 17 -6.711 -12.456 -1.518 97 HH12 ARG 17 HH12 ARG 17 -7.444 -14.018 -1.290 98 HH21 ARG 17 HH21 ARG 17 -6.873 -15.112 -4.572 99 HH22 ARG 17 HH22 ARG 17 -7.538 -15.522 -3.013 100 H SER 18 HN SER 18 -7.429 -7.569 -3.561 101 HA SER 18 HA SER 18 -9.330 -8.757 -5.282 102 HB2 SER 18 HB2 SER 18 -10.184 -6.986 -3.041 103 HB3 SER 18 HB1 SER 18 -10.766 -8.590 -3.496 104 HG SER 18 HG SER 18 -9.474 -9.314 -2.005 105 H SER 19 HN SER 19 -8.376 -5.428 -4.754 106 HA SER 19 HA SER 19 -10.704 -4.443 -6.185 107 HB2 SER 19 HB2 SER 19 -9.869 -3.276 -4.159 108 HB3 SER 19 HB1 SER 19 -8.386 -2.890 -5.025 109 HG SER 19 HG SER 19 -11.021 -2.055 -5.712 110 H GLY 20 HN GLY 20 -7.477 -5.352 -6.909 111 HA2 GLY 20 HA2 GLY 20 -6.197 -5.169 -8.812 112 HA3 GLY 20 HA1 GLY 20 -7.683 -4.759 -9.659 113 H ARG 21 HN ARG 21 -5.875 -3.128 -7.078 114 HA ARG 21 HA ARG 21 -5.543 -0.746 -8.772 115 HB2 ARG 21 HB2 ARG 21 -7.030 -0.745 -6.133 116 HB3 ARG 21 HB1 ARG 21 -6.478 0.707 -6.954 117 HG2 ARG 21 HG2 ARG 21 -7.907 0.119 -8.880 118 HG3 ARG 21 HG1 ARG 21 -8.508 -1.268 -7.970 119 HD2 ARG 21 HD2 ARG 21 -9.274 0.308 -6.202 120 HD3 ARG 21 HD1 ARG 21 -8.797 1.646 -7.247 121 HE ARG 21 HE ARG 21 -10.455 0.176 -8.814 122 HH11 ARG 21 HH11 ARG 21 -10.767 1.568 -5.612 123 HH12 ARG 21 HH12 ARG 21 -12.490 1.771 -5.725 124 HH21 ARG 21 HH21 ARG 21 -12.716 0.417 -8.958 125 HH22 ARG 21 HH22 ARG 21 -13.599 1.087 -7.620 126 H VAL 22 HN VAL 22 -3.909 0.767 -7.840 127 HA VAL 22 HA VAL 22 -1.954 -0.904 -6.460 128 HB VAL 22 HB VAL 22 -0.411 1.119 -6.906 129 HG11 VAL 22 HG11 VAL 22 -0.016 0.360 -9.220 130 HG12 VAL 22 HG12 VAL 22 -1.564 -0.487 -9.202 131 HG13 VAL 22 HG13 VAL 22 -0.267 -0.996 -8.120 132 HG21 VAL 22 HG21 VAL 22 -1.088 2.539 -8.779 133 HG22 VAL 22 HG22 VAL 22 -2.179 2.734 -7.408 134 HG23 VAL 22 HG23 VAL 22 -2.676 1.774 -8.801 135 H TYR 23 HN TYR 23 -1.061 -0.520 -4.566 136 HA TYR 23 HA TYR 23 -1.963 1.795 -3.009 137 HB2 TYR 23 HB2 TYR 23 -2.511 0.507 -1.134 138 HB3 TYR 23 HB1 TYR 23 -3.160 -0.440 -2.463 139 HD1 TYR 23 HD2 TYR 23 -2.034 -2.533 -3.152 140 HD2 TYR 23 HD1 TYR 23 -0.729 -0.319 0.232 141 HE1 TYR 23 HE2 TYR 23 -0.804 -4.496 -2.358 142 HE2 TYR 23 HE1 TYR 23 0.518 -2.277 1.036 143 HH TYR 23 HH TYR 23 0.489 -4.684 0.804 144 H TYR 24 HN TYR 24 -0.471 2.441 -1.374 145 HA TYR 24 HA TYR 24 2.250 1.850 -2.204 146 HB2 TYR 24 HB2 TYR 24 1.236 3.874 -0.201 147 HB3 TYR 24 HB1 TYR 24 2.876 3.766 -0.824 148 HD1 TYR 24 HD2 TYR 24 -0.583 4.741 -1.610 149 HD2 TYR 24 HD1 TYR 24 3.429 4.618 -3.033 150 HE1 TYR 24 HE2 TYR 24 -1.163 6.359 -3.360 151 HE2 TYR 24 HE1 TYR 24 2.860 6.262 -4.763 152 HH TYR 24 HH TYR 24 0.052 8.085 -4.750 153 H PHE 25 HN PHE 25 3.277 0.230 -1.226 154 HA PHE 25 HA PHE 25 2.596 -0.441 1.555 155 HB2 PHE 25 HB2 PHE 25 2.384 -2.381 0.164 156 HB3 PHE 25 HB1 PHE 25 3.918 -2.055 -0.638 157 HD1 PHE 25 HD1 PHE 25 2.332 -3.430 2.393 158 HD2 PHE 25 HD2 PHE 25 6.013 -2.579 0.430 159 HE1 PHE 25 HE1 PHE 25 3.518 -4.820 4.019 160 HE2 PHE 25 HE2 PHE 25 7.201 -3.982 2.044 161 HZ PHE 25 HZ PHE 25 5.973 -5.089 3.846 162 H ASN 26 HN ASN 26 3.993 0.000 3.121 163 HA ASN 26 HA ASN 26 6.805 0.504 2.384 164 HB2 ASN 26 HB2 ASN 26 5.759 2.619 2.919 165 HB3 ASN 26 HB1 ASN 26 5.072 1.947 4.396 166 HD21 ASN 26 HD21 ASN 26 7.879 3.228 2.874 167 HD22 ASN 26 HD22 ASN 26 8.859 3.319 4.296 168 H HIS 27 HN HIS 27 8.247 -0.756 3.483 169 HA HIS 27 HA HIS 27 7.158 -2.166 5.814 170 HB2 HIS 27 HB2 HIS 27 9.119 -3.781 5.445 171 HB3 HIS 27 HB1 HIS 27 7.740 -3.862 4.361 172 HD1 HIS 27 HD1 HIS 27 11.362 -2.799 4.454 173 HD2 HIS 27 HD2 HIS 27 8.281 -3.449 1.734 174 HE1 HIS 27 HE1 HIS 27 12.433 -2.683 2.177 175 HE2 HIS 27 HE2 HIS 27 10.528 -2.920 0.541 176 H ILE 28 HN ILE 28 8.891 0.515 5.429 177 HA ILE 28 HA ILE 28 10.841 -0.083 7.476 178 HB ILE 28 HB ILE 28 11.484 2.215 7.514 179 HG12 ILE 28 HG12 ILE 28 9.197 2.916 5.648 180 HG13 ILE 28 HG11 ILE 28 9.149 3.180 7.394 181 HG21 ILE 28 HG21 ILE 28 12.056 2.609 5.162 182 HG22 ILE 28 HG22 ILE 28 10.901 1.366 4.686 183 HG23 ILE 28 HG23 ILE 28 12.314 0.933 5.646 184 HD11 ILE 28 HD11 ILE 28 11.064 4.678 7.219 185 HD12 ILE 28 HD12 ILE 28 9.729 5.210 6.195 186 HD13 ILE 28 HD13 ILE 28 11.121 4.400 5.477 187 H THR 29 HN THR 29 7.721 1.636 7.294 188 HA THR 29 HA THR 29 7.431 1.373 10.182 189 HB THR 29 HB THR 29 6.526 3.398 9.077 190 HG1 THR 29 HG1 THR 29 4.909 1.625 10.534 191 HG21 THR 29 HG21 THR 29 4.474 3.250 7.746 192 HG22 THR 29 HG22 THR 29 4.567 1.490 7.801 193 HG23 THR 29 HG23 THR 29 5.812 2.413 6.959 194 H ASN 30 HN ASN 30 6.889 -0.449 7.390 195 HA ASN 30 HA ASN 30 5.775 -2.359 6.844 196 HB2 ASN 30 HB2 ASN 30 7.039 -3.130 8.924 197 HB3 ASN 30 HB1 ASN 30 5.547 -2.881 9.824 198 HD21 ASN 30 HD21 ASN 30 7.193 -4.819 7.465 199 HD22 ASN 30 HD22 ASN 30 6.045 -6.109 7.429 200 H ALA 31 HN ALA 31 4.223 -0.478 6.414 201 HA ALA 31 HA ALA 31 1.606 -1.332 7.393 202 HB1 ALA 31 HB1 ALA 31 2.163 0.665 8.689 203 HB2 ALA 31 HB2 ALA 31 0.840 0.990 7.569 204 HB3 ALA 31 HB3 ALA 31 2.469 1.557 7.198 205 H SER 32 HN SER 32 -0.068 -0.993 5.877 206 HA SER 32 HA SER 32 0.890 -0.469 3.145 207 HB2 SER 32 HB2 SER 32 -1.214 -2.385 4.158 208 HB3 SER 32 HB1 SER 32 -0.963 -2.029 2.451 209 HG SER 32 HG SER 32 1.239 -2.799 3.989 210 H GLN 33 HN GLN 33 0.013 1.250 2.161 211 HA GLN 33 HA GLN 33 -2.563 2.218 3.207 212 HB2 GLN 33 HB2 GLN 33 -0.163 3.797 2.309 213 HB3 GLN 33 HB1 GLN 33 -1.764 4.512 2.472 214 HG2 GLN 33 HG2 GLN 33 -1.680 3.529 4.874 215 HG3 GLN 33 HG1 GLN 33 0.059 3.470 4.594 216 HE21 GLN 33 HE21 GLN 33 -2.712 5.520 4.996 217 HE22 GLN 33 HE22 GLN 33 -1.845 6.992 5.235 218 H TRP 34 HN TRP 34 -4.023 1.611 1.749 219 HA TRP 34 HA TRP 34 -3.754 1.836 -1.079 220 HB2 TRP 34 HB2 TRP 34 -6.167 1.881 0.736 221 HB3 TRP 34 HB1 TRP 34 -6.282 1.861 -1.012 222 HD1 TRP 34 HD1 TRP 34 -4.288 -0.324 1.494 223 HE1 TRP 34 HE1 TRP 34 -4.802 -2.778 0.956 224 HE3 TRP 34 HE3 TRP 34 -7.524 0.340 -2.394 225 HZ2 TRP 34 HZ2 TRP 34 -6.370 -4.228 -0.834 226 HZ3 TRP 34 HZ3 TRP 34 -8.490 -1.651 -3.468 227 HH2 TRP 34 HH2 TRP 34 -7.908 -3.906 -2.700 228 H GLU 35 HN GLU 35 -5.150 3.780 1.457 229 HA GLU 35 HA GLU 35 -5.733 6.033 -0.158 230 HB2 GLU 35 HB2 GLU 35 -6.553 6.970 1.799 231 HB3 GLU 35 HB1 GLU 35 -6.666 5.234 2.191 232 HG2 GLU 35 HG2 GLU 35 -5.011 5.362 3.741 233 HG3 GLU 35 HG1 GLU 35 -4.145 6.652 2.907 234 H ARG 36 HN ARG 36 -4.514 8.024 -0.207 235 HA ARG 36 HA ARG 36 -1.816 7.357 -0.795 236 HB2 ARG 36 HB2 ARG 36 -3.401 9.899 -0.949 237 HB3 ARG 36 HB1 ARG 36 -1.699 9.845 -1.371 238 HG2 ARG 36 HG2 ARG 36 -2.119 8.315 -3.156 239 HG3 ARG 36 HG1 ARG 36 -3.799 8.114 -2.651 240 HD2 ARG 36 HD2 ARG 36 -3.414 9.651 -4.620 241 HD3 ARG 36 HD1 ARG 36 -4.358 10.320 -3.290 242 HE ARG 36 HE ARG 36 -1.848 11.116 -2.695 243 HH11 ARG 36 HH11 ARG 36 -3.714 11.331 -5.655 244 HH12 ARG 36 HH12 ARG 36 -3.015 12.848 -6.134 245 HH21 ARG 36 HH21 ARG 36 -0.922 13.087 -3.323 246 HH22 ARG 36 HH22 ARG 36 -1.403 13.842 -4.814 247 HA PRO 37 HA PRO 37 0.138 8.567 3.114 248 HB2 PRO 37 HB2 PRO 37 2.504 8.162 1.360 249 HB3 PRO 37 HB1 PRO 37 2.176 7.479 2.955 250 HG2 PRO 37 HG2 PRO 37 2.001 5.966 0.782 251 HG3 PRO 37 HG1 PRO 37 0.814 5.801 2.091 252 HD2 PRO 37 HD2 PRO 37 0.547 7.203 -0.545 253 HD3 PRO 37 HD1 PRO 37 -0.621 6.167 0.303 254 H SER 38 HN SER 38 0.754 9.664 -0.146 255 HA SER 38 HA SER 38 1.623 12.272 0.861 256 HB2 SER 38 HB2 SER 38 2.197 12.627 -1.621 257 HB3 SER 38 HB1 SER 38 3.198 11.488 -0.720 258 HG SER 38 HG SER 38 1.092 10.908 -2.538 259 H GLY 39 HN GLY 39 -0.108 13.506 1.240 260 HA2 GLY 39 HA2 GLY 39 -1.942 14.185 -0.843 261 HA3 GLY 39 HA1 GLY 39 -2.675 13.127 0.358 262 H1 ARG 208 HT1 ARG 208 -1.593 -11.960 -1.472 263 H2 ARG 208 HT2 ARG 208 -3.253 -11.630 -1.333 264 H3 ARG 208 HT3 ARG 208 -2.727 -13.009 -2.181 265 HA ARG 208 HA ARG 208 -3.576 -13.616 -0.035 266 HB2 ARG 208 HB2 ARG 208 -1.720 -14.928 -0.969 267 HB3 ARG 208 HB1 ARG 208 -0.563 -13.852 -0.194 268 HG2 ARG 208 HG2 ARG 208 -0.881 -15.986 1.006 269 HG3 ARG 208 HG1 ARG 208 -1.268 -14.572 1.985 270 HD2 ARG 208 HD2 ARG 208 -2.915 -16.353 2.294 271 HD3 ARG 208 HD1 ARG 208 -3.643 -14.920 1.573 272 HE ARG 208 HE ARG 208 -2.840 -16.704 -0.464 273 HH11 ARG 208 HH11 ARG 208 -5.253 -16.372 2.064 274 HH12 ARG 208 HH12 ARG 208 -6.432 -17.348 1.246 275 HH21 ARG 208 HH21 ARG 208 -4.408 -17.954 -1.567 276 HH22 ARG 208 HH22 ARG 208 -5.967 -18.223 -0.830 277 H ILE 209 HN ILE 209 -0.979 -11.198 0.126 278 HA ILE 209 HA ILE 209 -2.155 -10.437 2.719 279 HB ILE 209 HB ILE 209 0.394 -9.207 1.664 280 HG12 ILE 209 HG12 ILE 209 0.197 -11.711 3.376 281 HG13 ILE 209 HG11 ILE 209 0.737 -11.671 1.703 282 HG21 ILE 209 HG21 ILE 209 0.789 -8.821 4.061 283 HG22 ILE 209 HG22 ILE 209 -0.750 -9.598 4.432 284 HG23 ILE 209 HG23 ILE 209 -0.719 -8.098 3.506 285 HD11 ILE 209 HD11 ILE 209 2.609 -11.819 3.245 286 HD12 ILE 209 HD12 ILE 209 2.099 -10.319 4.021 287 HD13 ILE 209 HD13 ILE 209 2.646 -10.302 2.344 288 H SEP 210 HN SEP 210 -3.967 -9.454 1.726 289 HA SEP 210 HA SEP 210 -3.210 -6.871 0.585 290 HB2 SEP 210 HB2 SEP 210 -5.342 -6.667 -0.417 291 HB3 SEP 210 HB1 SEP 210 -4.370 -7.936 -1.150 292 HA PRO 211 HA PRO 211 -4.560 -4.876 4.104 293 HB2 PRO 211 HB2 PRO 211 -4.396 -2.590 2.303 294 HB3 PRO 211 HB1 PRO 211 -3.339 -2.998 3.659 295 HG2 PRO 211 HG2 PRO 211 -2.504 -3.076 1.106 296 HG3 PRO 211 HG1 PRO 211 -1.932 -4.253 2.304 297 HD2 PRO 211 HD2 PRO 211 -4.060 -4.605 0.230 298 HD3 PRO 211 HD1 PRO 211 -2.800 -5.678 0.681 299 HA PRO 212 HA PRO 212 -8.698 -3.307 3.738 300 HB2 PRO 212 HB2 PRO 212 -8.613 -2.652 6.382 301 HB3 PRO 212 HB1 PRO 212 -8.992 -4.286 5.825 302 HG2 PRO 212 HG2 PRO 212 -6.354 -3.195 6.769 303 HG3 PRO 212 HG1 PRO 212 -7.149 -4.714 7.224 304 HD2 PRO 212 HD2 PRO 212 -5.170 -4.542 5.438 305 HD3 PRO 212 HD1 PRO 212 -6.474 -5.717 5.250 306 H LEU 213 HN LEU 213 -9.051 -1.135 3.230 307 HA LEU 213 HA LEU 213 -6.864 0.711 3.377 308 HB2 LEU 213 HB2 LEU 213 -9.735 1.454 2.783 309 HB3 LEU 213 HB1 LEU 213 -8.268 2.391 2.393 310 HG LEU 213 HG LEU 213 -7.582 0.410 0.975 311 HD11 LEU 213 HD11 LEU 213 -9.403 -0.983 0.065 312 HD12 LEU 213 HD12 LEU 213 -10.513 -0.282 1.243 313 HD13 LEU 213 HD13 LEU 213 -9.150 -1.261 1.788 314 HD21 LEU 213 HD21 LEU 213 -8.320 2.505 0.016 315 HD22 LEU 213 HD22 LEU 213 -10.007 2.005 0.158 316 HD23 LEU 213 HD23 LEU 213 -8.918 1.144 -0.935 317 HA PRO 214 HA PRO 214 -6.824 2.244 7.314 318 HB2 PRO 214 HB2 PRO 214 -6.655 4.918 6.021 319 HB3 PRO 214 HB1 PRO 214 -5.565 4.154 7.182 320 HG2 PRO 214 HG2 PRO 214 -4.915 4.314 4.598 321 HG3 PRO 214 HG1 PRO 214 -4.513 2.878 5.554 322 HD2 PRO 214 HD2 PRO 214 -6.663 3.251 3.525 323 HD3 PRO 214 HD1 PRO 214 -5.713 1.806 3.875 324 H PHE 215 HN PHE 215 -9.342 3.210 5.221 325 HA PHE 215 HA PHE 215 -10.754 4.737 7.245 326 HB2 PHE 215 HB2 PHE 215 -11.682 3.788 4.521 327 HB3 PHE 215 HB1 PHE 215 -12.532 4.926 5.562 328 HD1 PHE 215 HD2 PHE 215 -9.574 4.439 3.434 329 HD2 PHE 215 HD1 PHE 215 -11.906 7.216 5.659 330 HE1 PHE 215 HE2 PHE 215 -8.360 6.295 2.377 331 HE2 PHE 215 HE1 PHE 215 -10.700 9.081 4.600 332 HZ PHE 215 HZ PHE 215 -8.924 8.622 2.955 Start of MODEL 14 1 H1 LEU 7 HT1 LEU 7 9.497 10.553 -0.846 2 H2 LEU 7 HT2 LEU 7 8.684 9.783 -2.115 3 H3 LEU 7 HT3 LEU 7 10.331 9.471 -1.850 4 HA LEU 7 HA LEU 7 9.824 8.529 0.294 5 HB2 LEU 7 HB2 LEU 7 7.382 7.936 0.696 6 HB3 LEU 7 HB1 LEU 7 7.903 9.579 1.001 7 HG LEU 7 HG LEU 7 6.988 10.118 -1.341 8 HD11 LEU 7 HD11 LEU 7 6.748 7.795 -2.103 9 HD12 LEU 7 HD12 LEU 7 5.223 8.677 -2.164 10 HD13 LEU 7 HD13 LEU 7 5.524 7.526 -0.862 11 HD21 LEU 7 HD21 LEU 7 5.952 10.871 0.719 12 HD22 LEU 7 HD22 LEU 7 5.119 9.327 0.886 13 HD23 LEU 7 HD23 LEU 7 4.724 10.401 -0.457 14 HA PRO 8 HA PRO 8 8.093 5.193 -3.064 15 HB2 PRO 8 HB2 PRO 8 10.279 5.309 -4.871 16 HB3 PRO 8 HB1 PRO 8 8.573 5.600 -5.207 17 HG2 PRO 8 HG2 PRO 8 10.752 7.529 -4.681 18 HG3 PRO 8 HG1 PRO 8 9.270 7.730 -5.631 19 HD2 PRO 8 HD2 PRO 8 9.574 8.884 -3.229 20 HD3 PRO 8 HD1 PRO 8 8.002 8.266 -3.774 21 HA PRO 9 HA PRO 9 12.663 3.366 -2.179 22 HB2 PRO 9 HB2 PRO 9 13.629 4.815 0.033 23 HB3 PRO 9 HB1 PRO 9 14.305 4.796 -1.598 24 HG2 PRO 9 HG2 PRO 9 12.471 6.767 -0.327 25 HG3 PRO 9 HG1 PRO 9 13.768 7.030 -1.508 26 HD2 PRO 9 HD2 PRO 9 11.210 7.111 -2.250 27 HD3 PRO 9 HD1 PRO 9 12.437 6.367 -3.298 28 H GLY 10 HN GLY 10 10.451 4.873 0.106 29 HA2 GLY 10 HA2 GLY 10 10.630 2.483 1.819 30 HA3 GLY 10 HA1 GLY 10 9.969 4.036 2.314 31 H TRP 11 HN TRP 11 8.332 4.572 0.142 32 HA TRP 11 HA TRP 11 6.161 2.696 0.683 33 HB2 TRP 11 HB2 TRP 11 6.187 5.429 -0.610 34 HB3 TRP 11 HB1 TRP 11 4.742 4.451 -0.408 35 HD1 TRP 11 HD1 TRP 11 7.388 6.269 1.769 36 HE1 TRP 11 HE1 TRP 11 6.270 6.940 3.986 37 HE3 TRP 11 HE3 TRP 11 2.852 4.031 1.088 38 HZ2 TRP 11 HZ2 TRP 11 3.797 6.562 5.267 39 HZ3 TRP 11 HZ3 TRP 11 1.166 4.234 2.861 40 HH2 TRP 11 HH2 TRP 11 1.627 5.474 4.912 41 H GLU 12 HN GLU 12 6.043 1.036 -0.675 42 HA GLU 12 HA GLU 12 6.919 1.290 -3.441 43 HB2 GLU 12 HB2 GLU 12 5.904 -1.061 -1.841 44 HB3 GLU 12 HB1 GLU 12 6.376 -1.157 -3.530 45 HG2 GLU 12 HG2 GLU 12 8.649 -0.446 -2.901 46 HG3 GLU 12 HG1 GLU 12 8.158 -0.461 -1.206 47 H LYS 13 HN LYS 13 5.600 1.110 -5.217 48 HA LYS 13 HA LYS 13 2.728 1.237 -4.762 49 HB2 LYS 13 HB2 LYS 13 4.517 1.771 -7.076 50 HB3 LYS 13 HB1 LYS 13 2.887 1.221 -7.435 51 HG2 LYS 13 HG2 LYS 13 3.536 3.597 -5.704 52 HG3 LYS 13 HG1 LYS 13 3.133 3.681 -7.422 53 HD2 LYS 13 HD2 LYS 13 0.976 2.543 -6.897 54 HD3 LYS 13 HD1 LYS 13 1.380 2.664 -5.188 55 HE2 LYS 13 HE2 LYS 13 1.275 5.017 -5.221 56 HE3 LYS 13 HE1 LYS 13 1.290 5.067 -6.983 57 HZ1 LYS 13 HZ1 LYS 13 -0.901 4.450 -7.113 58 HZ2 LYS 13 HZ2 LYS 13 -0.921 5.406 -5.711 59 HZ3 LYS 13 HZ3 LYS 13 -0.921 3.713 -5.585 60 H ARG 14 HN ARG 14 2.201 -0.720 -4.040 61 HA ARG 14 HA ARG 14 2.957 -3.078 -5.618 62 HB2 ARG 14 HB2 ARG 14 3.566 -2.959 -3.178 63 HB3 ARG 14 HB1 ARG 14 1.847 -2.958 -2.802 64 HG2 ARG 14 HG2 ARG 14 1.579 -5.156 -3.658 65 HG3 ARG 14 HG1 ARG 14 3.200 -5.148 -4.353 66 HD2 ARG 14 HD2 ARG 14 2.555 -5.014 -1.411 67 HD3 ARG 14 HD1 ARG 14 3.084 -6.458 -2.275 68 HE ARG 14 HE ARG 14 4.904 -4.259 -2.568 69 HH11 ARG 14 HH11 ARG 14 3.964 -6.892 -0.467 70 HH12 ARG 14 HH12 ARG 14 5.518 -7.008 0.292 71 HH21 ARG 14 HH21 ARG 14 6.959 -4.404 -1.567 72 HH22 ARG 14 HH22 ARG 14 7.207 -5.597 -0.311 73 H MET 15 HN MET 15 1.287 -4.654 -6.095 74 HA MET 15 HA MET 15 -1.174 -3.237 -6.737 75 HB2 MET 15 HB2 MET 15 -0.102 -5.918 -7.628 76 HB3 MET 15 HB1 MET 15 -1.664 -5.280 -8.117 77 HG2 MET 15 HG2 MET 15 -0.502 -3.334 -9.114 78 HG3 MET 15 HG1 MET 15 1.036 -4.102 -8.722 79 HE1 MET 15 HE1 MET 15 -2.045 -5.904 -11.653 80 HE2 MET 15 HE2 MET 15 -2.288 -4.387 -10.785 81 HE3 MET 15 HE3 MET 15 -2.260 -5.914 -9.904 82 H SER 16 HN SER 16 -3.023 -3.555 -5.780 83 HA SER 16 HA SER 16 -3.234 -5.500 -3.640 84 HB2 SER 16 HB2 SER 16 -5.401 -4.340 -3.198 85 HB3 SER 16 HB1 SER 16 -4.021 -3.245 -3.180 86 HG SER 16 HG SER 16 -4.663 -2.362 -5.035 87 H ARG 17 HN ARG 17 -4.867 -7.023 -3.550 88 HA ARG 17 HA ARG 17 -4.801 -8.506 -5.952 89 HB2 ARG 17 HB2 ARG 17 -4.516 -9.353 -3.617 90 HB3 ARG 17 HB1 ARG 17 -6.231 -9.097 -3.364 91 HG2 ARG 17 HG2 ARG 17 -6.809 -10.775 -4.941 92 HG3 ARG 17 HG1 ARG 17 -5.131 -10.928 -5.479 93 HD2 ARG 17 HD2 ARG 17 -4.461 -11.954 -3.509 94 HD3 ARG 17 HD1 ARG 17 -5.847 -11.349 -2.609 95 HE ARG 17 HE ARG 17 -6.045 -13.492 -4.636 96 HH11 ARG 17 HH11 ARG 17 -6.932 -12.004 -1.588 97 HH12 ARG 17 HH12 ARG 17 -7.972 -13.310 -1.105 98 HH21 ARG 17 HH21 ARG 17 -7.409 -15.228 -4.003 99 HH22 ARG 17 HH22 ARG 17 -8.234 -15.161 -2.474 100 H SER 18 HN SER 18 -7.679 -7.843 -3.908 101 HA SER 18 HA SER 18 -9.410 -8.666 -5.997 102 HB2 SER 18 HB2 SER 18 -11.198 -7.724 -4.423 103 HB3 SER 18 HB1 SER 18 -10.187 -9.032 -3.811 104 HG SER 18 HG SER 18 -9.137 -7.662 -2.508 105 H SER 19 HN SER 19 -8.117 -5.566 -5.120 106 HA SER 19 HA SER 19 -10.121 -4.176 -6.691 107 HB2 SER 19 HB2 SER 19 -9.300 -3.221 -4.547 108 HB3 SER 19 HB1 SER 19 -7.709 -3.029 -5.283 109 HG SER 19 HG SER 19 -9.390 -1.930 -6.952 110 H GLY 20 HN GLY 20 -6.915 -5.411 -7.084 111 HA2 GLY 20 HA2 GLY 20 -5.432 -5.344 -8.839 112 HA3 GLY 20 HA1 GLY 20 -6.794 -4.868 -9.845 113 H ARG 21 HN ARG 21 -5.230 -3.248 -7.095 114 HA ARG 21 HA ARG 21 -4.748 -0.902 -8.846 115 HB2 ARG 21 HB2 ARG 21 -6.322 -0.889 -6.269 116 HB3 ARG 21 HB1 ARG 21 -5.674 0.566 -7.004 117 HG2 ARG 21 HG2 ARG 21 -7.616 -1.288 -8.365 118 HG3 ARG 21 HG1 ARG 21 -8.084 0.148 -7.455 119 HD2 ARG 21 HD2 ARG 21 -8.047 0.884 -9.663 120 HD3 ARG 21 HD1 ARG 21 -6.493 1.413 -9.026 121 HE ARG 21 HE ARG 21 -6.046 -1.068 -10.153 122 HH11 ARG 21 HH11 ARG 21 -7.245 2.034 -11.260 123 HH12 ARG 21 HH12 ARG 21 -6.639 1.823 -12.878 124 HH21 ARG 21 HH21 ARG 21 -5.254 -1.345 -12.272 125 HH22 ARG 21 HH22 ARG 21 -5.477 -0.082 -13.443 126 H VAL 22 HN VAL 22 -3.158 0.622 -8.005 127 HA VAL 22 HA VAL 22 -1.197 -0.866 -6.456 128 HB VAL 22 HB VAL 22 0.308 1.140 -7.061 129 HG11 VAL 22 HG11 VAL 22 0.504 -1.069 -8.078 130 HG12 VAL 22 HG12 VAL 22 0.742 0.193 -9.287 131 HG13 VAL 22 HG13 VAL 22 -0.790 -0.678 -9.212 132 HG21 VAL 22 HG21 VAL 22 -0.379 2.351 -9.080 133 HG22 VAL 22 HG22 VAL 22 -1.460 2.680 -7.724 134 HG23 VAL 22 HG23 VAL 22 -1.961 1.575 -9.008 135 H TYR 23 HN TYR 23 -1.323 -0.744 -4.411 136 HA TYR 23 HA TYR 23 -1.953 1.756 -3.021 137 HB2 TYR 23 HB2 TYR 23 -2.443 0.439 -1.080 138 HB3 TYR 23 HB1 TYR 23 -3.252 -0.334 -2.436 139 HD1 TYR 23 HD2 TYR 23 -2.208 -2.417 -3.425 140 HD2 TYR 23 HD1 TYR 23 -0.863 -0.711 0.226 141 HE1 TYR 23 HE2 TYR 23 -1.122 -4.543 -2.842 142 HE2 TYR 23 HE1 TYR 23 0.231 -2.829 0.824 143 HH TYR 23 HH TYR 23 -0.100 -5.319 0.204 144 H TYR 24 HN TYR 24 -0.586 2.433 -1.262 145 HA TYR 24 HA TYR 24 2.207 1.957 -1.936 146 HB2 TYR 24 HB2 TYR 24 0.735 4.002 -0.306 147 HB3 TYR 24 HB1 TYR 24 2.456 3.769 -0.049 148 HD1 TYR 24 HD1 TYR 24 3.583 3.510 -2.684 149 HD2 TYR 24 HD2 TYR 24 0.371 5.969 -1.377 150 HE1 TYR 24 HE1 TYR 24 4.112 5.135 -4.451 151 HE2 TYR 24 HE2 TYR 24 0.873 7.595 -3.146 152 HH TYR 24 HH TYR 24 2.859 8.258 -4.514 153 H PHE 25 HN PHE 25 2.998 0.173 -0.984 154 HA PHE 25 HA PHE 25 2.425 -0.337 1.844 155 HB2 PHE 25 HB2 PHE 25 2.224 -2.340 0.596 156 HB3 PHE 25 HB1 PHE 25 3.677 -2.007 -0.339 157 HD1 PHE 25 HD1 PHE 25 2.383 -3.275 2.865 158 HD2 PHE 25 HD2 PHE 25 5.853 -2.457 0.543 159 HE1 PHE 25 HE1 PHE 25 3.744 -4.585 4.434 160 HE2 PHE 25 HE2 PHE 25 7.208 -3.774 2.098 161 HZ PHE 25 HZ PHE 25 6.174 -4.824 4.047 162 H ASN 26 HN ASN 26 3.776 0.424 3.333 163 HA ASN 26 HA ASN 26 6.503 1.158 2.475 164 HB2 ASN 26 HB2 ASN 26 5.192 3.113 3.051 165 HB3 ASN 26 HB1 ASN 26 4.728 2.393 4.590 166 HD21 ASN 26 HD21 ASN 26 5.560 4.307 5.561 167 HD22 ASN 26 HD22 ASN 26 7.259 4.488 5.816 168 H HIS 27 HN HIS 27 8.067 -0.085 3.298 169 HA HIS 27 HA HIS 27 7.392 -1.708 5.634 170 HB2 HIS 27 HB2 HIS 27 9.711 -2.813 4.942 171 HB3 HIS 27 HB1 HIS 27 8.178 -3.279 4.228 172 HD1 HIS 27 HD1 HIS 27 11.051 -0.875 3.399 173 HD2 HIS 27 HD2 HIS 27 8.221 -3.325 1.591 174 HE1 HIS 27 HE1 HIS 27 11.546 -0.772 0.937 175 HE2 HIS 27 HE2 HIS 27 9.881 -2.337 -0.142 176 H ILE 28 HN ILE 28 8.889 1.207 5.268 177 HA ILE 28 HA ILE 28 10.926 0.695 7.243 178 HB ILE 28 HB ILE 28 11.271 3.070 7.442 179 HG12 ILE 28 HG12 ILE 28 8.900 3.495 5.606 180 HG13 ILE 28 HG11 ILE 28 8.866 3.757 7.347 181 HG21 ILE 28 HG21 ILE 28 10.842 2.265 4.572 182 HG22 ILE 28 HG22 ILE 28 12.284 1.972 5.543 183 HG23 ILE 28 HG23 ILE 28 11.829 3.622 5.117 184 HD11 ILE 28 HD11 ILE 28 9.147 5.843 6.134 185 HD12 ILE 28 HD12 ILE 28 10.613 5.217 5.382 186 HD13 ILE 28 HD13 ILE 28 10.565 5.490 7.123 187 H THR 29 HN THR 29 7.651 2.054 7.260 188 HA THR 29 HA THR 29 7.556 1.856 10.159 189 HB THR 29 HB THR 29 6.456 3.773 8.995 190 HG1 THR 29 HG1 THR 29 5.301 3.746 10.758 191 HG21 THR 29 HG21 THR 29 4.526 1.661 8.028 192 HG22 THR 29 HG22 THR 29 5.619 2.610 7.020 193 HG23 THR 29 HG23 THR 29 4.301 3.404 7.879 194 H ASN 30 HN ASN 30 6.895 -0.050 7.411 195 HA ASN 30 HA ASN 30 6.002 -2.104 7.060 196 HB2 ASN 30 HB2 ASN 30 7.327 -2.805 8.998 197 HB3 ASN 30 HB1 ASN 30 6.053 -2.283 10.090 198 HD21 ASN 30 HD21 ASN 30 4.480 -3.674 10.601 199 HD22 ASN 30 HD22 ASN 30 4.282 -5.251 9.904 200 H ALA 31 HN ALA 31 4.310 -0.370 6.481 201 HA ALA 31 HA ALA 31 1.762 -1.355 7.533 202 HB1 ALA 31 HB1 ALA 31 0.824 0.892 7.644 203 HB2 ALA 31 HB2 ALA 31 2.383 1.579 7.185 204 HB3 ALA 31 HB3 ALA 31 2.208 0.740 8.727 205 H SER 32 HN SER 32 0.074 -1.301 6.027 206 HA SER 32 HA SER 32 0.942 -0.807 3.259 207 HB2 SER 32 HB2 SER 32 -0.849 -2.494 2.680 208 HB3 SER 32 HB1 SER 32 0.502 -3.144 3.608 209 HG SER 32 HG SER 32 -1.883 -2.222 4.829 210 H GLN 33 HN GLN 33 0.126 1.079 2.535 211 HA GLN 33 HA GLN 33 -2.507 1.901 3.559 212 HB2 GLN 33 HB2 GLN 33 -0.171 3.604 2.698 213 HB3 GLN 33 HB1 GLN 33 -1.752 4.230 3.145 214 HG2 GLN 33 HG2 GLN 33 0.108 2.696 4.947 215 HG3 GLN 33 HG1 GLN 33 -0.148 4.439 4.964 216 HE21 GLN 33 HE21 GLN 33 -2.153 5.251 5.678 217 HE22 GLN 33 HE22 GLN 33 -3.173 4.300 6.703 218 H TRP 34 HN TRP 34 -4.005 1.587 2.077 219 HA TRP 34 HA TRP 34 -3.670 1.969 -0.749 220 HB2 TRP 34 HB2 TRP 34 -6.077 1.863 1.053 221 HB3 TRP 34 HB1 TRP 34 -6.212 2.024 -0.681 222 HD1 TRP 34 HD1 TRP 34 -4.153 -0.384 1.535 223 HE1 TRP 34 HE1 TRP 34 -4.685 -2.775 0.793 224 HE3 TRP 34 HE3 TRP 34 -7.540 0.615 -2.163 225 HZ2 TRP 34 HZ2 TRP 34 -6.297 -4.065 -1.039 226 HZ3 TRP 34 HZ3 TRP 34 -8.541 -1.291 -3.368 227 HH2 TRP 34 HH2 TRP 34 -7.923 -3.594 -2.816 228 H GLU 35 HN GLU 35 -4.217 3.865 1.977 229 HA GLU 35 HA GLU 35 -5.406 6.076 0.534 230 HB2 GLU 35 HB2 GLU 35 -5.946 6.931 2.731 231 HB3 GLU 35 HB1 GLU 35 -6.367 5.201 2.682 232 HG2 GLU 35 HG2 GLU 35 -5.357 5.330 4.712 233 HG3 GLU 35 HG1 GLU 35 -3.968 4.929 3.708 234 H ARG 36 HN ARG 36 -4.356 8.115 0.398 235 HA ARG 36 HA ARG 36 -1.596 7.727 -0.181 236 HB2 ARG 36 HB2 ARG 36 -3.126 10.318 -0.219 237 HB3 ARG 36 HB1 ARG 36 -1.585 10.018 -0.984 238 HG2 ARG 36 HG2 ARG 36 -3.057 9.909 -2.754 239 HG3 ARG 36 HG1 ARG 36 -2.858 8.212 -2.321 240 HD2 ARG 36 HD2 ARG 36 -5.206 8.785 -2.748 241 HD3 ARG 36 HD1 ARG 36 -4.948 8.256 -1.086 242 HE ARG 36 HE ARG 36 -4.906 11.132 -1.577 243 HH11 ARG 36 HH11 ARG 36 -6.752 8.334 -0.520 244 HH12 ARG 36 HH12 ARG 36 -7.892 9.285 0.392 245 HH21 ARG 36 HH21 ARG 36 -6.423 12.373 -0.379 246 HH22 ARG 36 HH22 ARG 36 -7.699 11.561 0.478 247 HA PRO 37 HA PRO 37 0.169 9.004 3.667 248 HB2 PRO 37 HB2 PRO 37 2.709 9.433 2.735 249 HB3 PRO 37 HB1 PRO 37 2.063 7.833 3.106 250 HG2 PRO 37 HG2 PRO 37 2.408 9.177 0.474 251 HG3 PRO 37 HG1 PRO 37 2.579 7.465 0.895 252 HD2 PRO 37 HD2 PRO 37 0.398 8.513 -0.381 253 HD3 PRO 37 HD1 PRO 37 0.339 7.057 0.619 254 H SER 38 HN SER 38 0.517 10.842 0.717 255 HA SER 38 HA SER 38 0.467 13.322 2.291 256 HB2 SER 38 HB2 SER 38 1.973 12.905 -0.309 257 HB3 SER 38 HB1 SER 38 1.945 14.377 0.664 258 HG SER 38 HG SER 38 2.912 13.098 2.372 259 H GLY 39 HN GLY 39 -1.387 14.363 1.892 260 HA2 GLY 39 HA2 GLY 39 -2.350 14.898 -0.703 261 HA3 GLY 39 HA1 GLY 39 -3.246 13.549 -0.015 262 H1 ARG 208 HT1 ARG 208 1.192 -13.503 -1.331 263 H2 ARG 208 HT2 ARG 208 0.852 -13.619 0.327 264 H3 ARG 208 HT3 ARG 208 1.363 -12.144 -0.336 265 HA ARG 208 HA ARG 208 -0.628 -11.880 -1.551 266 HB2 ARG 208 HB2 ARG 208 -1.376 -14.598 -0.456 267 HB3 ARG 208 HB1 ARG 208 -2.454 -13.543 -1.359 268 HG2 ARG 208 HG2 ARG 208 -1.107 -13.748 -3.328 269 HG3 ARG 208 HG1 ARG 208 0.128 -14.644 -2.439 270 HD2 ARG 208 HD2 ARG 208 -1.453 -16.455 -2.043 271 HD3 ARG 208 HD1 ARG 208 -2.714 -15.554 -2.887 272 HE ARG 208 HE ARG 208 -1.475 -15.842 -4.927 273 HH11 ARG 208 HH11 ARG 208 -0.446 -17.821 -2.209 274 HH12 ARG 208 HH12 ARG 208 0.440 -18.948 -3.201 275 HH21 ARG 208 HH21 ARG 208 -0.334 -17.326 -6.228 276 HH22 ARG 208 HH22 ARG 208 0.500 -18.662 -5.490 277 H ILE 209 HN ILE 209 -0.713 -10.187 -0.093 278 HA ILE 209 HA ILE 209 -2.527 -10.640 2.171 279 HB ILE 209 HB ILE 209 -0.073 -8.865 2.453 280 HG12 ILE 209 HG12 ILE 209 0.399 -10.701 4.323 281 HG13 ILE 209 HG11 ILE 209 -0.499 -11.732 3.213 282 HG21 ILE 209 HG21 ILE 209 -2.004 -8.162 3.745 283 HG22 ILE 209 HG22 ILE 209 -0.730 -8.765 4.805 284 HG23 ILE 209 HG23 ILE 209 -2.138 -9.769 4.461 285 HD11 ILE 209 HD11 ILE 209 1.983 -10.168 2.548 286 HD12 ILE 209 HD12 ILE 209 1.088 -11.211 1.441 287 HD13 ILE 209 HD13 ILE 209 1.893 -11.902 2.850 288 H SEP 210 HN SEP 210 -4.261 -9.500 1.198 289 HA SEP 210 HA SEP 210 -3.567 -6.787 0.361 290 HB2 SEP 210 HB2 SEP 210 -5.575 -6.480 -0.625 291 HB3 SEP 210 HB1 SEP 210 -4.972 -8.040 -1.199 292 HA PRO 211 HA PRO 211 -4.686 -4.853 4.053 293 HB2 PRO 211 HB2 PRO 211 -4.453 -2.559 2.246 294 HB3 PRO 211 HB1 PRO 211 -3.433 -2.991 3.619 295 HG2 PRO 211 HG2 PRO 211 -2.516 -3.120 1.125 296 HG3 PRO 211 HG1 PRO 211 -2.092 -4.381 2.303 297 HD2 PRO 211 HD2 PRO 211 -4.234 -4.456 0.200 298 HD3 PRO 211 HD1 PRO 211 -3.030 -5.645 0.558 299 HA PRO 212 HA PRO 212 -8.809 -3.190 3.829 300 HB2 PRO 212 HB2 PRO 212 -8.652 -2.602 6.483 301 HB3 PRO 212 HB1 PRO 212 -9.049 -4.222 5.895 302 HG2 PRO 212 HG2 PRO 212 -6.374 -3.154 6.775 303 HG3 PRO 212 HG1 PRO 212 -7.165 -4.672 7.244 304 HD2 PRO 212 HD2 PRO 212 -5.254 -4.524 5.398 305 HD3 PRO 212 HD1 PRO 212 -6.599 -5.653 5.220 306 H LEU 213 HN LEU 213 -9.269 -0.987 3.535 307 HA LEU 213 HA LEU 213 -7.064 0.886 3.883 308 HB2 LEU 213 HB2 LEU 213 -9.801 1.642 2.864 309 HB3 LEU 213 HB1 LEU 213 -8.271 2.542 2.691 310 HG LEU 213 HG LEU 213 -7.424 0.654 1.331 311 HD11 LEU 213 HD11 LEU 213 -9.061 -0.824 0.225 312 HD12 LEU 213 HD12 LEU 213 -10.334 -0.185 1.266 313 HD13 LEU 213 HD13 LEU 213 -9.001 -1.103 1.965 314 HD21 LEU 213 HD21 LEU 213 -8.214 2.747 0.357 315 HD22 LEU 213 HD22 LEU 213 -9.853 2.099 0.269 316 HD23 LEU 213 HD23 LEU 213 -8.565 1.377 -0.699 317 HA PRO 214 HA PRO 214 -7.890 2.383 7.792 318 HB2 PRO 214 HB2 PRO 214 -7.199 5.014 6.601 319 HB3 PRO 214 HB1 PRO 214 -6.462 4.163 7.964 320 HG2 PRO 214 HG2 PRO 214 -5.218 4.256 5.610 321 HG3 PRO 214 HG1 PRO 214 -5.201 2.774 6.582 322 HD2 PRO 214 HD2 PRO 214 -6.851 3.420 4.167 323 HD3 PRO 214 HD1 PRO 214 -6.056 1.902 4.579 324 H PHE 215 HN PHE 215 -9.737 3.426 5.128 325 HA PHE 215 HA PHE 215 -11.379 5.292 6.607 326 HB2 PHE 215 HB2 PHE 215 -11.772 4.087 3.857 327 HB3 PHE 215 HB1 PHE 215 -12.726 5.397 4.546 328 HD1 PHE 215 HD1 PHE 215 -9.476 4.446 3.157 329 HD2 PHE 215 HD2 PHE 215 -11.857 7.631 4.671 330 HE1 PHE 215 HE1 PHE 215 -7.869 6.068 2.257 331 HE2 PHE 215 HE2 PHE 215 -10.251 9.262 3.771 332 HZ PHE 215 HZ PHE 215 -8.253 8.482 2.560 Start of MODEL 15 1 H1 LEU 7 HT1 LEU 7 7.662 11.395 -1.426 2 H2 LEU 7 HT2 LEU 7 8.569 12.006 -0.133 3 H3 LEU 7 HT3 LEU 7 6.885 12.174 -0.131 4 HA LEU 7 HA LEU 7 7.486 10.442 1.367 5 HB2 LEU 7 HB2 LEU 7 6.235 9.562 -1.222 6 HB3 LEU 7 HB1 LEU 7 6.437 8.439 0.107 7 HG LEU 7 HG LEU 7 4.217 9.215 0.238 8 HD11 LEU 7 HD11 LEU 7 4.140 10.422 2.364 9 HD12 LEU 7 HD12 LEU 7 5.860 10.784 2.213 10 HD13 LEU 7 HD13 LEU 7 5.324 9.114 2.388 11 HD21 LEU 7 HD21 LEU 7 5.279 12.024 0.015 12 HD22 LEU 7 HD22 LEU 7 3.594 11.574 0.275 13 HD23 LEU 7 HD23 LEU 7 4.400 11.137 -1.232 14 HA PRO 8 HA PRO 8 11.410 8.529 0.741 15 HB2 PRO 8 HB2 PRO 8 10.957 6.308 2.342 16 HB3 PRO 8 HB1 PRO 8 11.503 7.884 2.920 17 HG2 PRO 8 HG2 PRO 8 8.756 6.719 2.896 18 HG3 PRO 8 HG1 PRO 8 9.550 7.701 4.143 19 HD2 PRO 8 HD2 PRO 8 7.739 8.758 2.486 20 HD3 PRO 8 HD1 PRO 8 9.168 9.683 2.997 21 HA PRO 9 HA PRO 9 11.137 5.548 -2.555 22 HB2 PRO 9 HB2 PRO 9 13.390 4.299 -1.036 23 HB3 PRO 9 HB1 PRO 9 13.259 4.660 -2.762 24 HG2 PRO 9 HG2 PRO 9 14.692 6.223 -1.156 25 HG3 PRO 9 HG1 PRO 9 13.712 6.913 -2.462 26 HD2 PRO 9 HD2 PRO 9 13.229 6.913 0.474 27 HD3 PRO 9 HD1 PRO 9 12.767 8.113 -0.748 28 H GLY 10 HN GLY 10 11.306 4.567 0.804 29 HA2 GLY 10 HA2 GLY 10 10.710 1.852 0.588 30 HA3 GLY 10 HA1 GLY 10 10.343 2.862 1.973 31 H TRP 11 HN TRP 11 8.653 4.463 -0.220 32 HA TRP 11 HA TRP 11 6.235 2.880 0.179 33 HB2 TRP 11 HB2 TRP 11 6.726 5.678 -0.836 34 HB3 TRP 11 HB1 TRP 11 5.165 4.895 -1.044 35 HD1 TRP 11 HD1 TRP 11 7.449 6.307 1.700 36 HE1 TRP 11 HE1 TRP 11 6.063 6.716 3.820 37 HE3 TRP 11 HE3 TRP 11 3.075 4.186 0.180 38 HZ2 TRP 11 HZ2 TRP 11 3.445 6.206 4.723 39 HZ3 TRP 11 HZ3 TRP 11 1.167 4.187 1.735 40 HH2 TRP 11 HH2 TRP 11 1.348 5.177 3.957 41 H GLU 12 HN GLU 12 5.860 1.329 -1.197 42 HA GLU 12 HA GLU 12 6.912 1.497 -3.941 43 HB2 GLU 12 HB2 GLU 12 6.081 -0.987 -2.426 44 HB3 GLU 12 HB1 GLU 12 6.990 -0.902 -3.933 45 HG2 GLU 12 HG2 GLU 12 8.858 0.148 -2.746 46 HG3 GLU 12 HG1 GLU 12 7.955 0.024 -1.236 47 H LYS 13 HN LYS 13 5.628 0.853 -5.686 48 HA LYS 13 HA LYS 13 2.765 0.844 -5.184 49 HB2 LYS 13 HB2 LYS 13 4.474 1.221 -7.582 50 HB3 LYS 13 HB1 LYS 13 2.905 0.467 -7.842 51 HG2 LYS 13 HG2 LYS 13 3.383 3.130 -6.521 52 HG3 LYS 13 HG1 LYS 13 2.793 2.873 -8.167 53 HD2 LYS 13 HD2 LYS 13 0.822 1.737 -7.297 54 HD3 LYS 13 HD1 LYS 13 1.418 1.936 -5.649 55 HE2 LYS 13 HE2 LYS 13 -0.273 3.599 -6.155 56 HE3 LYS 13 HE1 LYS 13 1.293 4.362 -5.904 57 HZ1 LYS 13 HZ1 LYS 13 1.577 4.617 -8.249 58 HZ2 LYS 13 HZ2 LYS 13 0.066 5.262 -7.825 59 HZ3 LYS 13 HZ3 LYS 13 0.159 3.746 -8.575 60 H ARG 14 HN ARG 14 2.058 -0.964 -4.451 61 HA ARG 14 HA ARG 14 3.002 -3.504 -5.594 62 HB2 ARG 14 HB2 ARG 14 3.633 -3.157 -3.232 63 HB3 ARG 14 HB1 ARG 14 1.945 -2.946 -2.808 64 HG2 ARG 14 HG2 ARG 14 2.625 -5.169 -2.217 65 HG3 ARG 14 HG1 ARG 14 1.519 -5.272 -3.590 66 HD2 ARG 14 HD2 ARG 14 3.538 -5.354 -5.079 67 HD3 ARG 14 HD1 ARG 14 4.523 -5.496 -3.626 68 HE ARG 14 HE ARG 14 2.628 -7.507 -3.473 69 HH11 ARG 14 HH11 ARG 14 5.283 -6.577 -5.563 70 HH12 ARG 14 HH12 ARG 14 5.560 -8.193 -6.142 71 HH21 ARG 14 HH21 ARG 14 2.993 -9.651 -4.239 72 HH22 ARG 14 HH22 ARG 14 4.260 -9.934 -5.403 73 H MET 15 HN MET 15 1.370 -5.185 -5.819 74 HA MET 15 HA MET 15 -1.038 -3.942 -6.861 75 HB2 MET 15 HB2 MET 15 0.349 -5.483 -8.243 76 HB3 MET 15 HB1 MET 15 -0.050 -6.787 -7.134 77 HG2 MET 15 HG2 MET 15 -2.442 -6.467 -7.702 78 HG3 MET 15 HG1 MET 15 -1.956 -5.266 -8.897 79 HE1 MET 15 HE1 MET 15 -0.284 -5.873 -10.951 80 HE2 MET 15 HE2 MET 15 0.270 -7.513 -11.288 81 HE3 MET 15 HE3 MET 15 0.827 -6.674 -9.840 82 H SER 16 HN SER 16 -2.971 -4.152 -6.057 83 HA SER 16 HA SER 16 -3.373 -5.548 -3.540 84 HB2 SER 16 HB2 SER 16 -5.344 -3.864 -5.087 85 HB3 SER 16 HB1 SER 16 -5.386 -4.256 -3.371 86 HG SER 16 HG SER 16 -3.459 -2.641 -4.689 87 H ARG 17 HN ARG 17 -4.587 -7.313 -3.306 88 HA ARG 17 HA ARG 17 -4.782 -8.987 -5.577 89 HB2 ARG 17 HB2 ARG 17 -4.122 -9.678 -3.273 90 HB3 ARG 17 HB1 ARG 17 -5.790 -9.458 -2.773 91 HG2 ARG 17 HG2 ARG 17 -6.536 -11.243 -4.134 92 HG3 ARG 17 HG1 ARG 17 -4.977 -11.349 -4.956 93 HD2 ARG 17 HD2 ARG 17 -5.065 -13.133 -3.385 94 HD3 ARG 17 HD1 ARG 17 -3.950 -11.919 -2.759 95 HE ARG 17 HE ARG 17 -5.972 -11.173 -1.377 96 HH11 ARG 17 HH11 ARG 17 -5.562 -14.467 -2.454 97 HH12 ARG 17 HH12 ARG 17 -6.183 -15.178 -0.995 98 HH21 ARG 17 HH21 ARG 17 -6.763 -12.070 0.570 99 HH22 ARG 17 HH22 ARG 17 -6.900 -13.803 0.725 100 H SER 18 HN SER 18 -7.226 -7.471 -3.503 101 HA SER 18 HA SER 18 -9.388 -8.979 -4.523 102 HB2 SER 18 HB2 SER 18 -10.728 -7.135 -3.336 103 HB3 SER 18 HB1 SER 18 -9.640 -8.114 -2.351 104 HG SER 18 HG SER 18 -9.223 -6.026 -1.804 105 H SER 19 HN SER 19 -8.936 -5.461 -4.773 106 HA SER 19 HA SER 19 -10.759 -5.407 -7.011 107 HB2 SER 19 HB2 SER 19 -9.335 -3.117 -5.646 108 HB3 SER 19 HB1 SER 19 -10.715 -2.998 -6.740 109 HG SER 19 HG SER 19 -11.419 -2.922 -4.581 110 H GLY 20 HN GLY 20 -7.441 -5.770 -6.734 111 HA2 GLY 20 HA2 GLY 20 -5.764 -5.731 -8.319 112 HA3 GLY 20 HA1 GLY 20 -7.002 -5.389 -9.525 113 H ARG 21 HN ARG 21 -5.427 -3.793 -6.772 114 HA ARG 21 HA ARG 21 -5.577 -1.248 -8.297 115 HB2 ARG 21 HB2 ARG 21 -5.975 -1.682 -5.335 116 HB3 ARG 21 HB1 ARG 21 -5.837 -0.104 -6.088 117 HG2 ARG 21 HG2 ARG 21 -7.990 -2.108 -6.724 118 HG3 ARG 21 HG1 ARG 21 -8.160 -0.779 -5.579 119 HD2 ARG 21 HD2 ARG 21 -9.119 0.020 -7.559 120 HD3 ARG 21 HD1 ARG 21 -7.515 0.748 -7.518 121 HE ARG 21 HE ARG 21 -7.794 -1.736 -9.009 122 HH11 ARG 21 HH11 ARG 21 -7.543 1.759 -9.077 123 HH12 ARG 21 HH12 ARG 21 -7.185 1.814 -10.778 124 HH21 ARG 21 HH21 ARG 21 -7.324 -1.663 -11.232 125 HH22 ARG 21 HH22 ARG 21 -7.054 -0.125 -12.007 126 H VAL 22 HN VAL 22 -3.825 0.243 -8.041 127 HA VAL 22 HA VAL 22 -1.396 -1.005 -7.032 128 HB VAL 22 HB VAL 22 -0.317 1.207 -7.811 129 HG11 VAL 22 HG11 VAL 22 -0.051 -0.916 -8.982 130 HG12 VAL 22 HG12 VAL 22 -0.234 0.402 -10.140 131 HG13 VAL 22 HG13 VAL 22 -1.590 -0.678 -9.808 132 HG21 VAL 22 HG21 VAL 22 -1.557 2.387 -9.580 133 HG22 VAL 22 HG22 VAL 22 -2.367 2.516 -8.019 134 HG23 VAL 22 HG23 VAL 22 -2.978 1.400 -9.240 135 H TYR 23 HN TYR 23 -1.534 -1.013 -4.868 136 HA TYR 23 HA TYR 23 -2.152 1.481 -3.479 137 HB2 TYR 23 HB2 TYR 23 -2.652 0.243 -1.561 138 HB3 TYR 23 HB1 TYR 23 -3.266 -0.756 -2.867 139 HD1 TYR 23 HD2 TYR 23 -2.048 -2.832 -3.498 140 HD2 TYR 23 HD1 TYR 23 -0.925 -0.527 -0.108 141 HE1 TYR 23 HE2 TYR 23 -0.804 -4.755 -2.616 142 HE2 TYR 23 HE1 TYR 23 0.320 -2.448 0.789 143 HH TYR 23 HH TYR 23 0.418 -4.836 0.597 144 H TYR 24 HN TYR 24 -0.780 2.276 -1.829 145 HA TYR 24 HA TYR 24 2.007 1.885 -2.548 146 HB2 TYR 24 HB2 TYR 24 0.457 3.991 -1.124 147 HB3 TYR 24 HB1 TYR 24 2.150 3.800 -0.692 148 HD1 TYR 24 HD1 TYR 24 3.237 3.094 -3.418 149 HD2 TYR 24 HD2 TYR 24 0.481 6.083 -2.172 150 HE1 TYR 24 HE1 TYR 24 3.940 4.517 -5.291 151 HE2 TYR 24 HE2 TYR 24 1.162 7.506 -4.055 152 HH TYR 24 HH TYR 24 3.165 7.779 -5.526 153 H PHE 25 HN PHE 25 2.940 0.247 -1.580 154 HA PHE 25 HA PHE 25 2.342 -0.353 1.223 155 HB2 PHE 25 HB2 PHE 25 2.166 -2.316 -0.113 156 HB3 PHE 25 HB1 PHE 25 3.645 -1.945 -0.989 157 HD1 PHE 25 HD2 PHE 25 2.303 -3.109 2.270 158 HD2 PHE 25 HD1 PHE 25 5.740 -2.587 -0.194 159 HE1 PHE 25 HE2 PHE 25 3.645 -4.425 3.855 160 HE2 PHE 25 HE1 PHE 25 7.070 -3.908 1.381 161 HZ PHE 25 HZ PHE 25 6.044 -4.805 3.410 162 H ASN 26 HN ASN 26 3.689 0.345 2.734 163 HA ASN 26 HA ASN 26 6.471 0.940 1.954 164 HB2 ASN 26 HB2 ASN 26 5.327 2.970 2.614 165 HB3 ASN 26 HB1 ASN 26 4.727 2.199 4.083 166 HD21 ASN 26 HD21 ASN 26 7.318 3.838 2.588 167 HD22 ASN 26 HD22 ASN 26 8.369 3.882 3.961 168 H HIS 27 HN HIS 27 7.991 -0.350 2.870 169 HA HIS 27 HA HIS 27 7.118 -1.929 5.184 170 HB2 HIS 27 HB2 HIS 27 9.157 -3.397 4.591 171 HB3 HIS 27 HB1 HIS 27 7.694 -3.525 3.630 172 HD1 HIS 27 HD1 HIS 27 11.193 -2.077 3.453 173 HD2 HIS 27 HD2 HIS 27 8.013 -3.134 0.996 174 HE1 HIS 27 HE1 HIS 27 12.048 -1.817 1.097 175 HE2 HIS 27 HE2 HIS 27 10.088 -2.409 -0.392 176 H ILE 28 HN ILE 28 8.595 0.857 5.007 177 HA ILE 28 HA ILE 28 10.725 0.174 6.870 178 HB ILE 28 HB ILE 28 11.263 2.496 7.065 179 HG12 ILE 28 HG12 ILE 28 8.899 3.236 5.332 180 HG13 ILE 28 HG11 ILE 28 8.837 3.285 7.093 181 HG21 ILE 28 HG21 ILE 28 11.707 3.105 4.729 182 HG22 ILE 28 HG22 ILE 28 10.591 1.844 4.202 183 HG23 ILE 28 HG23 ILE 28 12.069 1.411 5.062 184 HD11 ILE 28 HD11 ILE 28 9.261 5.476 6.192 185 HD12 ILE 28 HD12 ILE 28 10.675 4.876 5.325 186 HD13 ILE 28 HD13 ILE 28 10.669 4.909 7.089 187 H THR 29 HN THR 29 7.587 1.836 6.911 188 HA THR 29 HA THR 29 7.403 1.514 9.793 189 HB THR 29 HB THR 29 5.185 2.602 9.527 190 HG1 THR 29 HG1 THR 29 4.828 3.539 7.356 191 HG21 THR 29 HG21 THR 29 7.474 4.049 8.197 192 HG22 THR 29 HG22 THR 29 7.168 3.964 9.932 193 HG23 THR 29 HG23 THR 29 6.035 4.809 8.878 194 H ASN 30 HN ASN 30 6.618 -0.164 6.941 195 HA ASN 30 HA ASN 30 5.702 -2.221 6.532 196 HB2 ASN 30 HB2 ASN 30 6.537 -2.758 8.907 197 HB3 ASN 30 HB1 ASN 30 4.896 -2.423 9.448 198 HD21 ASN 30 HD21 ASN 30 3.309 -3.930 9.104 199 HD22 ASN 30 HD22 ASN 30 3.598 -5.484 8.393 200 H ALA 31 HN ALA 31 4.311 0.444 6.737 201 HA ALA 31 HA ALA 31 1.547 -0.313 7.250 202 HB1 ALA 31 HB1 ALA 31 2.353 1.859 8.051 203 HB2 ALA 31 HB2 ALA 31 1.031 2.036 6.899 204 HB3 ALA 31 HB3 ALA 31 2.691 2.343 6.389 205 H SER 32 HN SER 32 0.058 -0.704 5.750 206 HA SER 32 HA SER 32 0.838 -0.463 2.912 207 HB2 SER 32 HB2 SER 32 -1.203 -2.282 4.220 208 HB3 SER 32 HB1 SER 32 -0.811 -2.252 2.501 209 HG SER 32 HG SER 32 1.233 -2.645 4.386 210 H GLN 33 HN GLN 33 -0.135 1.192 1.874 211 HA GLN 33 HA GLN 33 -2.751 2.087 2.904 212 HB2 GLN 33 HB2 GLN 33 -0.477 3.815 1.922 213 HB3 GLN 33 HB1 GLN 33 -2.062 4.400 2.414 214 HG2 GLN 33 HG2 GLN 33 -0.188 2.918 4.241 215 HG3 GLN 33 HG1 GLN 33 -0.251 4.673 4.110 216 HE21 GLN 33 HE21 GLN 33 -1.888 1.814 5.227 217 HE22 GLN 33 HE22 GLN 33 -3.059 2.630 6.206 218 H TRP 34 HN TRP 34 -4.195 1.545 1.369 219 HA TRP 34 HA TRP 34 -3.726 1.660 -1.445 220 HB2 TRP 34 HB2 TRP 34 -6.284 1.718 0.162 221 HB3 TRP 34 HB1 TRP 34 -6.248 1.632 -1.589 222 HD1 TRP 34 HD1 TRP 34 -4.217 -0.394 0.999 223 HE1 TRP 34 HE1 TRP 34 -4.674 -2.880 0.586 224 HE3 TRP 34 HE3 TRP 34 -7.615 -0.018 -2.807 225 HZ2 TRP 34 HZ2 TRP 34 -6.241 -4.464 -1.053 226 HZ3 TRP 34 HZ3 TRP 34 -8.557 -2.097 -3.739 227 HH2 TRP 34 HH2 TRP 34 -7.874 -4.284 -2.879 228 H GLU 35 HN GLU 35 -4.739 3.825 1.003 229 HA GLU 35 HA GLU 35 -5.540 5.889 -0.866 230 HB2 GLU 35 HB2 GLU 35 -6.496 6.971 1.009 231 HB3 GLU 35 HB1 GLU 35 -6.791 5.239 1.297 232 HG2 GLU 35 HG2 GLU 35 -5.013 5.152 2.886 233 HG3 GLU 35 HG1 GLU 35 -4.496 6.793 2.500 234 H ARG 36 HN ARG 36 -4.468 7.993 -0.809 235 HA ARG 36 HA ARG 36 -1.675 7.530 -1.051 236 HB2 ARG 36 HB2 ARG 36 -2.994 8.992 -2.555 237 HB3 ARG 36 HB1 ARG 36 -3.169 10.151 -1.245 238 HG2 ARG 36 HG2 ARG 36 -0.751 10.467 -1.203 239 HG3 ARG 36 HG1 ARG 36 -0.569 9.284 -2.499 240 HD2 ARG 36 HD2 ARG 36 -0.469 11.408 -3.526 241 HD3 ARG 36 HD1 ARG 36 -2.069 10.762 -3.889 242 HE ARG 36 HE ARG 36 -1.950 12.457 -1.547 243 HH11 ARG 36 HH11 ARG 36 -2.526 12.269 -4.998 244 HH12 ARG 36 HH12 ARG 36 -3.326 13.811 -5.084 245 HH21 ARG 36 HH21 ARG 36 -3.008 14.492 -1.650 246 HH22 ARG 36 HH22 ARG 36 -3.593 15.075 -3.185 247 HA PRO 37 HA PRO 37 -0.144 8.436 3.001 248 HB2 PRO 37 HB2 PRO 37 2.222 9.661 2.045 249 HB3 PRO 37 HB1 PRO 37 2.038 7.967 2.506 250 HG2 PRO 37 HG2 PRO 37 2.023 9.214 -0.177 251 HG3 PRO 37 HG1 PRO 37 2.497 7.577 0.306 252 HD2 PRO 37 HD2 PRO 37 0.202 8.102 -1.010 253 HD3 PRO 37 HD1 PRO 37 0.330 6.783 0.165 254 H SER 38 HN SER 38 1.204 10.996 0.970 255 HA SER 38 HA SER 38 0.849 13.209 0.760 256 HB2 SER 38 HB2 SER 38 -1.731 12.692 2.242 257 HB3 SER 38 HB1 SER 38 -1.320 14.175 1.377 258 HG SER 38 HG SER 38 -2.597 12.344 0.300 259 H GLY 39 HN GLY 39 0.649 11.858 3.971 260 HA2 GLY 39 HA2 GLY 39 2.202 14.107 4.949 261 HA3 GLY 39 HA1 GLY 39 0.626 13.891 5.699 262 H1 ARG 208 HT1 ARG 208 0.054 -11.330 -0.603 263 H2 ARG 208 HT2 ARG 208 0.921 -12.772 -0.810 264 H3 ARG 208 HT3 ARG 208 0.997 -11.942 0.666 265 HA ARG 208 HA ARG 208 -1.392 -13.257 -0.485 266 HB2 ARG 208 HB2 ARG 208 0.419 -14.732 0.481 267 HB3 ARG 208 HB1 ARG 208 0.145 -13.943 2.028 268 HG2 ARG 208 HG2 ARG 208 -2.186 -14.713 1.989 269 HG3 ARG 208 HG1 ARG 208 -1.868 -15.546 0.465 270 HD2 ARG 208 HD2 ARG 208 -1.729 -17.148 2.233 271 HD3 ARG 208 HD1 ARG 208 -0.100 -16.854 1.634 272 HE ARG 208 HE ARG 208 -0.269 -15.132 3.697 273 HH11 ARG 208 HH11 ARG 208 -1.051 -18.538 3.420 274 HH12 ARG 208 HH12 ARG 208 -0.647 -18.891 5.076 275 HH21 ARG 208 HH21 ARG 208 0.265 -15.608 5.881 276 HH22 ARG 208 HH22 ARG 208 0.098 -17.240 6.458 277 H ILE 209 HN ILE 209 -0.221 -10.680 1.294 278 HA ILE 209 HA ILE 209 -2.593 -10.523 3.021 279 HB ILE 209 HB ILE 209 -0.223 -8.627 2.981 280 HG12 ILE 209 HG12 ILE 209 -0.662 -11.017 4.797 281 HG13 ILE 209 HG11 ILE 209 0.521 -10.942 3.497 282 HG21 ILE 209 HG21 ILE 209 -2.356 -9.170 5.048 283 HG22 ILE 209 HG22 ILE 209 -2.250 -7.753 4.003 284 HG23 ILE 209 HG23 ILE 209 -1.013 -8.042 5.227 285 HD11 ILE 209 HD11 ILE 209 1.550 -10.569 5.665 286 HD12 ILE 209 HD12 ILE 209 0.486 -9.190 5.943 287 HD13 ILE 209 HD13 ILE 209 1.681 -9.137 4.646 288 H SEP 210 HN SEP 210 -4.326 -9.386 2.123 289 HA SEP 210 HA SEP 210 -3.476 -6.940 0.746 290 HB2 SEP 210 HB2 SEP 210 -5.373 -6.742 -0.425 291 HB3 SEP 210 HB1 SEP 210 -4.927 -8.437 -0.619 292 HA PRO 211 HA PRO 211 -4.606 -4.477 4.077 293 HB2 PRO 211 HB2 PRO 211 -4.385 -2.469 1.945 294 HB3 PRO 211 HB1 PRO 211 -3.380 -2.671 3.378 295 HG2 PRO 211 HG2 PRO 211 -2.426 -3.179 0.948 296 HG3 PRO 211 HG1 PRO 211 -2.007 -4.236 2.315 297 HD2 PRO 211 HD2 PRO 211 -4.099 -4.666 0.206 298 HD3 PRO 211 HD1 PRO 211 -2.903 -5.781 0.793 299 HA PRO 212 HA PRO 212 -8.785 -3.039 3.615 300 HB2 PRO 212 HB2 PRO 212 -8.673 -2.090 6.170 301 HB3 PRO 212 HB1 PRO 212 -9.016 -3.785 5.799 302 HG2 PRO 212 HG2 PRO 212 -6.391 -2.527 6.556 303 HG3 PRO 212 HG1 PRO 212 -7.136 -4.004 7.198 304 HD2 PRO 212 HD2 PRO 212 -5.202 -4.006 5.370 305 HD3 PRO 212 HD1 PRO 212 -6.499 -5.202 5.320 306 H LEU 213 HN LEU 213 -9.292 -0.931 2.939 307 HA LEU 213 HA LEU 213 -7.138 0.984 2.912 308 HB2 LEU 213 HB2 LEU 213 -9.953 1.556 2.009 309 HB3 LEU 213 HB1 LEU 213 -8.467 2.452 1.608 310 HG LEU 213 HG LEU 213 -7.647 0.356 0.513 311 HD11 LEU 213 HD11 LEU 213 -10.568 -0.416 0.680 312 HD12 LEU 213 HD12 LEU 213 -9.218 -1.260 1.437 313 HD13 LEU 213 HD13 LEU 213 -9.356 -1.219 -0.320 314 HD21 LEU 213 HD21 LEU 213 -8.873 0.804 -1.563 315 HD22 LEU 213 HD22 LEU 213 -8.404 2.295 -0.740 316 HD23 LEU 213 HD23 LEU 213 -10.071 1.727 -0.652 317 HA PRO 214 HA PRO 214 -7.596 2.699 6.768 318 HB2 PRO 214 HB2 PRO 214 -6.594 5.187 5.539 319 HB3 PRO 214 HB1 PRO 214 -5.889 4.191 6.815 320 HG2 PRO 214 HG2 PRO 214 -4.877 4.219 4.329 321 HG3 PRO 214 HG1 PRO 214 -4.883 2.752 5.319 322 HD2 PRO 214 HD2 PRO 214 -6.657 3.489 3.041 323 HD3 PRO 214 HD1 PRO 214 -5.996 1.912 3.477 324 H PHE 215 HN PHE 215 -9.422 3.972 4.181 325 HA PHE 215 HA PHE 215 -10.567 6.286 5.167 326 HB2 PHE 215 HB2 PHE 215 -12.002 4.094 3.651 327 HB3 PHE 215 HB1 PHE 215 -12.544 5.758 3.807 328 HD1 PHE 215 HD1 PHE 215 -9.538 3.885 2.714 329 HD2 PHE 215 HD2 PHE 215 -12.154 7.149 2.022 330 HE1 PHE 215 HE1 PHE 215 -8.299 4.417 0.660 331 HE2 PHE 215 HE2 PHE 215 -10.926 7.707 -0.038 332 HZ PHE 215 HZ PHE 215 -8.996 6.336 -0.724 Start of MODEL 16 1 H1 LEU 7 HT1 LEU 7 8.075 11.817 -2.707 2 H2 LEU 7 HT2 LEU 7 8.490 12.272 -1.128 3 H3 LEU 7 HT3 LEU 7 6.896 12.466 -1.673 4 HA LEU 7 HA LEU 7 7.035 10.575 -0.231 5 HB2 LEU 7 HB2 LEU 7 5.489 10.521 -2.159 6 HB3 LEU 7 HB1 LEU 7 6.742 9.779 -3.134 7 HG LEU 7 HG LEU 7 6.714 7.809 -1.628 8 HD11 LEU 7 HD11 LEU 7 4.358 9.201 -0.362 9 HD12 LEU 7 HD12 LEU 7 5.923 8.910 0.396 10 HD13 LEU 7 HD13 LEU 7 4.887 7.550 -0.032 11 HD21 LEU 7 HD21 LEU 7 4.049 8.557 -2.827 12 HD22 LEU 7 HD22 LEU 7 4.561 6.925 -2.394 13 HD23 LEU 7 HD23 LEU 7 5.399 7.800 -3.675 14 HA PRO 8 HA PRO 8 11.146 8.798 -0.104 15 HB2 PRO 8 HB2 PRO 8 9.712 6.884 1.666 16 HB3 PRO 8 HB1 PRO 8 11.196 7.795 1.962 17 HG2 PRO 8 HG2 PRO 8 8.915 8.516 3.121 18 HG3 PRO 8 HG1 PRO 8 10.050 9.736 2.511 19 HD2 PRO 8 HD2 PRO 8 7.483 8.766 1.317 20 HD3 PRO 8 HD1 PRO 8 8.156 10.410 1.365 21 HA PRO 9 HA PRO 9 10.769 5.704 -3.289 22 HB2 PRO 9 HB2 PRO 9 13.377 4.839 -2.139 23 HB3 PRO 9 HB1 PRO 9 12.942 5.189 -3.817 24 HG2 PRO 9 HG2 PRO 9 14.371 6.931 -2.404 25 HG3 PRO 9 HG1 PRO 9 13.109 7.486 -3.518 26 HD2 PRO 9 HD2 PRO 9 13.064 7.312 -0.538 27 HD3 PRO 9 HD1 PRO 9 12.348 8.532 -1.612 28 H GLY 10 HN GLY 10 11.564 4.919 0.037 29 HA2 GLY 10 HA2 GLY 10 11.342 2.125 -0.088 30 HA3 GLY 10 HA1 GLY 10 11.104 3.098 1.352 31 H TRP 11 HN TRP 11 8.884 4.481 -0.417 32 HA TRP 11 HA TRP 11 6.781 2.591 0.288 33 HB2 TRP 11 HB2 TRP 11 6.767 5.461 -0.619 34 HB3 TRP 11 HB1 TRP 11 5.290 4.504 -0.602 35 HD1 TRP 11 HD1 TRP 11 7.986 5.785 1.878 36 HE1 TRP 11 HE1 TRP 11 6.889 6.048 4.181 37 HE3 TRP 11 HE3 TRP 11 3.391 3.832 0.810 38 HZ2 TRP 11 HZ2 TRP 11 4.411 5.502 5.391 39 HZ3 TRP 11 HZ3 TRP 11 1.714 3.733 2.607 40 HH2 TRP 11 HH2 TRP 11 2.216 4.550 4.851 41 H GLU 12 HN GLU 12 6.503 1.022 -1.099 42 HA GLU 12 HA GLU 12 7.046 1.397 -3.945 43 HB2 GLU 12 HB2 GLU 12 6.253 -1.146 -2.516 44 HB3 GLU 12 HB1 GLU 12 7.060 -0.994 -4.071 45 HG2 GLU 12 HG2 GLU 12 9.080 -0.267 -3.045 46 HG3 GLU 12 HG1 GLU 12 8.293 -0.115 -1.476 47 H LYS 13 HN LYS 13 5.491 1.079 -5.550 48 HA LYS 13 HA LYS 13 2.735 1.107 -4.621 49 HB2 LYS 13 HB2 LYS 13 3.862 1.424 -7.410 50 HB3 LYS 13 HB1 LYS 13 2.151 1.516 -7.000 51 HG2 LYS 13 HG2 LYS 13 3.578 3.265 -5.277 52 HG3 LYS 13 HG1 LYS 13 4.094 3.569 -6.935 53 HD2 LYS 13 HD2 LYS 13 2.166 4.947 -6.194 54 HD3 LYS 13 HD1 LYS 13 1.836 3.980 -7.631 55 HE2 LYS 13 HE2 LYS 13 0.653 2.347 -6.254 56 HE3 LYS 13 HE1 LYS 13 1.031 3.281 -4.807 57 HZ1 LYS 13 HZ1 LYS 13 -0.331 5.065 -5.563 58 HZ2 LYS 13 HZ2 LYS 13 -1.249 3.648 -5.721 59 HZ3 LYS 13 HZ3 LYS 13 -0.539 4.361 -7.087 60 H ARG 14 HN ARG 14 2.183 -0.803 -3.967 61 HA ARG 14 HA ARG 14 2.808 -3.165 -5.600 62 HB2 ARG 14 HB2 ARG 14 3.718 -3.062 -3.272 63 HB3 ARG 14 HB1 ARG 14 2.071 -3.014 -2.667 64 HG2 ARG 14 HG2 ARG 14 1.637 -5.219 -3.441 65 HG3 ARG 14 HG1 ARG 14 3.149 -5.260 -4.353 66 HD2 ARG 14 HD2 ARG 14 2.881 -5.111 -1.350 67 HD3 ARG 14 HD1 ARG 14 3.334 -6.537 -2.282 68 HE ARG 14 HE ARG 14 4.973 -4.082 -2.116 69 HH11 ARG 14 HH11 ARG 14 4.676 -7.558 -2.411 70 HH12 ARG 14 HH12 ARG 14 6.390 -7.832 -2.382 71 HH21 ARG 14 HH21 ARG 14 7.241 -4.436 -2.066 72 HH22 ARG 14 HH22 ARG 14 7.837 -6.071 -2.194 73 H MET 15 HN MET 15 1.087 -4.784 -5.827 74 HA MET 15 HA MET 15 -1.368 -3.307 -6.344 75 HB2 MET 15 HB2 MET 15 -0.396 -6.002 -7.280 76 HB3 MET 15 HB1 MET 15 -1.988 -5.360 -7.665 77 HG2 MET 15 HG2 MET 15 -0.892 -3.418 -8.737 78 HG3 MET 15 HG1 MET 15 0.669 -4.183 -8.445 79 HE1 MET 15 HE1 MET 15 -2.786 -4.480 -10.316 80 HE2 MET 15 HE2 MET 15 -2.693 -5.987 -9.404 81 HE3 MET 15 HE3 MET 15 -2.590 -6.014 -11.163 82 H SER 16 HN SER 16 -3.238 -3.654 -5.507 83 HA SER 16 HA SER 16 -3.494 -5.273 -3.113 84 HB2 SER 16 HB2 SER 16 -5.570 -3.468 -4.368 85 HB3 SER 16 HB1 SER 16 -5.460 -3.983 -2.688 86 HG SER 16 HG SER 16 -3.721 -2.209 -4.061 87 H ARG 17 HN ARG 17 -5.029 -6.879 -2.887 88 HA ARG 17 HA ARG 17 -5.044 -8.510 -5.190 89 HB2 ARG 17 HB2 ARG 17 -4.671 -9.369 -2.912 90 HB3 ARG 17 HB1 ARG 17 -6.330 -8.967 -2.496 91 HG2 ARG 17 HG2 ARG 17 -7.167 -10.518 -4.124 92 HG3 ARG 17 HG1 ARG 17 -5.534 -10.905 -4.654 93 HD2 ARG 17 HD2 ARG 17 -5.045 -11.877 -2.489 94 HD3 ARG 17 HD1 ARG 17 -6.637 -11.402 -1.891 95 HE ARG 17 HE ARG 17 -6.930 -12.962 -4.225 96 HH11 ARG 17 HH11 ARG 17 -5.987 -13.315 -0.863 97 HH12 ARG 17 HH12 ARG 17 -6.550 -14.954 -0.752 98 HH21 ARG 17 HH21 ARG 17 -7.712 -15.100 -4.056 99 HH22 ARG 17 HH22 ARG 17 -7.558 -15.957 -2.545 100 H SER 18 HN SER 18 -7.858 -7.663 -3.128 101 HA SER 18 HA SER 18 -9.598 -8.897 -4.995 102 HB2 SER 18 HB2 SER 18 -10.025 -8.825 -2.548 103 HB3 SER 18 HB1 SER 18 -10.339 -7.096 -2.680 104 HG SER 18 HG SER 18 -11.755 -9.021 -4.201 105 H SER 19 HN SER 19 -8.745 -5.529 -4.384 106 HA SER 19 HA SER 19 -10.826 -4.623 -6.191 107 HB2 SER 19 HB2 SER 19 -8.755 -2.963 -4.755 108 HB3 SER 19 HB1 SER 19 -10.264 -2.402 -5.479 109 HG SER 19 HG SER 19 -11.403 -3.291 -3.868 110 H GLY 20 HN GLY 20 -7.532 -5.500 -6.440 111 HA2 GLY 20 HA2 GLY 20 -5.942 -5.216 -8.077 112 HA3 GLY 20 HA1 GLY 20 -7.278 -4.860 -9.162 113 H ARG 21 HN ARG 21 -5.555 -3.305 -6.456 114 HA ARG 21 HA ARG 21 -5.557 -0.782 -8.013 115 HB2 ARG 21 HB2 ARG 21 -6.527 -1.114 -5.168 116 HB3 ARG 21 HB1 ARG 21 -6.142 0.445 -5.882 117 HG2 ARG 21 HG2 ARG 21 -7.881 0.166 -7.535 118 HG3 ARG 21 HG1 ARG 21 -8.228 -1.456 -6.935 119 HD2 ARG 21 HD2 ARG 21 -9.871 0.065 -6.065 120 HD3 ARG 21 HD1 ARG 21 -8.833 -0.471 -4.747 121 HE ARG 21 HE ARG 21 -8.021 2.022 -5.957 122 HH11 ARG 21 HH11 ARG 21 -10.001 0.515 -3.477 123 HH12 ARG 21 HH12 ARG 21 -10.106 1.953 -2.501 124 HH21 ARG 21 HH21 ARG 21 -8.177 3.917 -4.665 125 HH22 ARG 21 HH22 ARG 21 -9.076 3.864 -3.174 126 H VAL 22 HN VAL 22 -3.865 0.737 -7.415 127 HA VAL 22 HA VAL 22 -1.583 -0.738 -6.355 128 HB VAL 22 HB VAL 22 -0.355 1.490 -6.986 129 HG11 VAL 22 HG11 VAL 22 -1.478 -0.404 -9.064 130 HG12 VAL 22 HG12 VAL 22 -0.037 -0.674 -8.085 131 HG13 VAL 22 HG13 VAL 22 -0.063 0.630 -9.272 132 HG21 VAL 22 HG21 VAL 22 -2.354 2.819 -7.394 133 HG22 VAL 22 HG22 VAL 22 -2.884 1.681 -8.634 134 HG23 VAL 22 HG23 VAL 22 -1.423 2.640 -8.883 135 H TYR 23 HN TYR 23 -1.314 -0.765 -4.301 136 HA TYR 23 HA TYR 23 -1.926 1.612 -2.705 137 HB2 TYR 23 HB2 TYR 23 -2.272 0.232 -0.825 138 HB3 TYR 23 HB1 TYR 23 -3.066 -0.591 -2.156 139 HD1 TYR 23 HD1 TYR 23 -0.299 -0.703 0.229 140 HD2 TYR 23 HD2 TYR 23 -2.244 -2.708 -2.973 141 HE1 TYR 23 HE1 TYR 23 0.894 -2.773 0.810 142 HE2 TYR 23 HE2 TYR 23 -1.035 -4.781 -2.417 143 HH TYR 23 HH TYR 23 0.578 -5.237 0.491 144 H TYR 24 HN TYR 24 -0.474 2.251 -1.072 145 HA TYR 24 HA TYR 24 2.265 2.003 -1.969 146 HB2 TYR 24 HB2 TYR 24 1.063 3.757 0.169 147 HB3 TYR 24 HB1 TYR 24 2.692 3.886 -0.479 148 HD1 TYR 24 HD1 TYR 24 2.982 4.555 -2.889 149 HD2 TYR 24 HD2 TYR 24 -0.755 4.829 -0.884 150 HE1 TYR 24 HE1 TYR 24 2.204 6.154 -4.573 151 HE2 TYR 24 HE2 TYR 24 -1.555 6.421 -2.576 152 HH TYR 24 HH TYR 24 -0.674 7.978 -4.212 153 H PHE 25 HN PHE 25 3.408 0.400 -1.156 154 HA PHE 25 HA PHE 25 2.911 -0.526 1.586 155 HB2 PHE 25 HB2 PHE 25 2.717 -2.314 -0.020 156 HB3 PHE 25 HB1 PHE 25 4.225 -1.856 -0.793 157 HD1 PHE 25 HD2 PHE 25 2.855 -3.109 2.439 158 HD2 PHE 25 HD1 PHE 25 6.204 -2.830 -0.170 159 HE1 PHE 25 HE2 PHE 25 4.130 -4.608 3.917 160 HE2 PHE 25 HE1 PHE 25 7.476 -4.326 1.296 161 HZ PHE 25 HZ PHE 25 6.456 -5.201 3.344 162 H ASN 26 HN ASN 26 4.364 -0.083 3.105 163 HA ASN 26 HA ASN 26 7.083 0.682 2.253 164 HB2 ASN 26 HB2 ASN 26 5.702 2.625 2.987 165 HB3 ASN 26 HB1 ASN 26 5.497 1.849 4.553 166 HD21 ASN 26 HD21 ASN 26 8.428 1.921 2.591 167 HD22 ASN 26 HD22 ASN 26 9.355 2.856 3.715 168 H HIS 27 HN HIS 27 8.386 -0.991 2.889 169 HA HIS 27 HA HIS 27 7.552 -2.561 5.174 170 HB2 HIS 27 HB2 HIS 27 9.714 -3.908 4.569 171 HB3 HIS 27 HB1 HIS 27 8.247 -4.072 3.616 172 HD1 HIS 27 HD1 HIS 27 11.663 -2.410 3.461 173 HD2 HIS 27 HD2 HIS 27 8.509 -3.549 0.999 174 HE1 HIS 27 HE1 HIS 27 12.470 -2.028 1.102 175 HE2 HIS 27 HE2 HIS 27 10.517 -2.657 -0.377 176 H ILE 28 HN ILE 28 9.460 0.164 4.900 177 HA ILE 28 HA ILE 28 11.422 -0.553 6.834 178 HB ILE 28 HB ILE 28 11.899 1.802 7.140 179 HG12 ILE 28 HG12 ILE 28 9.661 2.522 5.242 180 HG13 ILE 28 HG11 ILE 28 9.429 2.508 6.994 181 HG21 ILE 28 HG21 ILE 28 11.402 1.101 4.253 182 HG22 ILE 28 HG22 ILE 28 12.841 0.723 5.200 183 HG23 ILE 28 HG23 ILE 28 12.451 2.401 4.821 184 HD11 ILE 28 HD11 ILE 28 11.438 4.172 5.492 185 HD12 ILE 28 HD12 ILE 28 11.187 4.176 7.238 186 HD13 ILE 28 HD13 ILE 28 9.908 4.739 6.163 187 H THR 29 HN THR 29 8.301 1.147 7.065 188 HA THR 29 HA THR 29 8.236 0.731 9.939 189 HB THR 29 HB THR 29 5.922 1.777 9.673 190 HG1 THR 29 HG1 THR 29 6.013 3.072 7.545 191 HG21 THR 29 HG21 THR 29 7.870 3.030 10.455 192 HG22 THR 29 HG22 THR 29 6.848 4.036 9.429 193 HG23 THR 29 HG23 THR 29 8.342 3.354 8.788 194 H ASN 30 HN ASN 30 7.460 -0.971 7.165 195 HA ASN 30 HA ASN 30 6.314 -2.863 6.664 196 HB2 ASN 30 HB2 ASN 30 7.472 -3.597 8.846 197 HB3 ASN 30 HB1 ASN 30 5.908 -3.350 9.613 198 HD21 ASN 30 HD21 ASN 30 7.475 -5.790 9.236 199 HD22 ASN 30 HD22 ASN 30 6.445 -6.891 8.388 200 H ALA 31 HN ALA 31 4.836 -0.901 6.152 201 HA ALA 31 HA ALA 31 2.187 -1.536 7.252 202 HB1 ALA 31 HB1 ALA 31 3.209 1.251 6.694 203 HB2 ALA 31 HB2 ALA 31 2.952 0.546 8.290 204 HB3 ALA 31 HB3 ALA 31 1.579 0.831 7.220 205 H SER 32 HN SER 32 0.473 -1.325 5.800 206 HA SER 32 HA SER 32 1.223 -0.860 2.994 207 HB2 SER 32 HB2 SER 32 -0.474 -2.664 2.447 208 HB3 SER 32 HB1 SER 32 0.997 -3.226 3.241 209 HG SER 32 HG SER 32 -0.098 -3.488 5.128 210 H GLN 33 HN GLN 33 0.085 0.744 2.091 211 HA GLN 33 HA GLN 33 -2.509 1.476 3.284 212 HB2 GLN 33 HB2 GLN 33 -0.135 3.275 2.798 213 HB3 GLN 33 HB1 GLN 33 -1.757 3.866 3.172 214 HG2 GLN 33 HG2 GLN 33 -1.694 2.699 5.321 215 HG3 GLN 33 HG1 GLN 33 -0.072 2.115 4.955 216 HE21 GLN 33 HE21 GLN 33 0.791 3.122 6.756 217 HE22 GLN 33 HE22 GLN 33 1.024 4.830 6.837 218 H TRP 34 HN TRP 34 -3.867 1.186 1.532 219 HA TRP 34 HA TRP 34 -3.234 2.060 -1.123 220 HB2 TRP 34 HB2 TRP 34 -6.052 2.001 -0.006 221 HB3 TRP 34 HB1 TRP 34 -5.530 1.771 -1.670 222 HD1 TRP 34 HD1 TRP 34 -3.740 -0.293 0.945 223 HE1 TRP 34 HE1 TRP 34 -4.527 -2.717 0.756 224 HE3 TRP 34 HE3 TRP 34 -7.553 0.336 -2.324 225 HZ2 TRP 34 HZ2 TRP 34 -6.472 -4.176 -0.530 226 HZ3 TRP 34 HZ3 TRP 34 -8.869 -1.642 -3.005 227 HH2 TRP 34 HH2 TRP 34 -8.334 -3.863 -2.124 228 H GLU 35 HN GLU 35 -4.357 3.376 1.767 229 HA GLU 35 HA GLU 35 -5.374 5.843 0.756 230 HB2 GLU 35 HB2 GLU 35 -5.860 6.279 3.063 231 HB3 GLU 35 HB1 GLU 35 -6.151 4.548 2.790 232 HG2 GLU 35 HG2 GLU 35 -4.005 4.021 3.794 233 HG3 GLU 35 HG1 GLU 35 -3.691 5.734 4.071 234 H ARG 36 HN ARG 36 -4.343 7.944 1.270 235 HA ARG 36 HA ARG 36 -1.727 7.763 0.179 236 HB2 ARG 36 HB2 ARG 36 -3.384 9.513 -0.413 237 HB3 ARG 36 HB1 ARG 36 -3.170 10.219 1.183 238 HG2 ARG 36 HG2 ARG 36 -0.822 10.650 0.677 239 HG3 ARG 36 HG1 ARG 36 -1.033 9.931 -0.919 240 HD2 ARG 36 HD2 ARG 36 -2.520 12.345 0.106 241 HD3 ARG 36 HD1 ARG 36 -1.119 12.399 -0.963 242 HE ARG 36 HE ARG 36 -2.536 11.118 -2.579 243 HH11 ARG 36 HH11 ARG 36 -4.025 13.094 -0.098 244 HH12 ARG 36 HH12 ARG 36 -5.454 13.415 -1.025 245 HH21 ARG 36 HH21 ARG 36 -4.408 11.555 -3.817 246 HH22 ARG 36 HH22 ARG 36 -5.676 12.543 -3.144 247 HA PRO 37 HA PRO 37 0.639 7.495 3.919 248 HB2 PRO 37 HB2 PRO 37 3.030 8.281 2.762 249 HB3 PRO 37 HB1 PRO 37 2.407 6.629 2.763 250 HG2 PRO 37 HG2 PRO 37 2.304 8.701 0.621 251 HG3 PRO 37 HG1 PRO 37 2.521 6.947 0.483 252 HD2 PRO 37 HD2 PRO 37 0.182 8.155 -0.076 253 HD3 PRO 37 HD1 PRO 37 0.256 6.530 0.635 254 H SER 38 HN SER 38 0.667 10.341 1.867 255 HA SER 38 HA SER 38 0.786 12.044 4.190 256 HB2 SER 38 HB2 SER 38 3.187 11.597 3.665 257 HB3 SER 38 HB1 SER 38 2.932 12.279 2.059 258 HG SER 38 HG SER 38 3.411 14.099 2.998 259 H GLY 39 HN GLY 39 -0.911 13.286 3.802 260 HA2 GLY 39 HA2 GLY 39 -0.942 14.846 1.333 261 HA3 GLY 39 HA1 GLY 39 -2.374 13.888 1.701 262 H1 ARG 208 HT1 ARG 208 0.519 -12.222 -1.542 263 H2 ARG 208 HT2 ARG 208 1.034 -11.602 -0.056 264 H3 ARG 208 HT3 ARG 208 -0.214 -10.833 -0.910 265 HA ARG 208 HA ARG 208 -1.562 -12.868 -0.675 266 HB2 ARG 208 HB2 ARG 208 0.824 -13.619 0.989 267 HB3 ARG 208 HB1 ARG 208 -0.764 -14.268 1.370 268 HG2 ARG 208 HG2 ARG 208 0.359 -15.875 0.051 269 HG3 ARG 208 HG1 ARG 208 -0.877 -15.142 -0.969 270 HD2 ARG 208 HD2 ARG 208 0.857 -13.678 -1.952 271 HD3 ARG 208 HD1 ARG 208 2.072 -14.505 -0.981 272 HE ARG 208 HE ARG 208 0.883 -16.537 -2.308 273 HH11 ARG 208 HH11 ARG 208 2.332 -13.510 -3.340 274 HH12 ARG 208 HH12 ARG 208 2.756 -14.098 -4.920 275 HH21 ARG 208 HH21 ARG 208 1.464 -17.324 -4.379 276 HH22 ARG 208 HH22 ARG 208 2.273 -16.269 -5.506 277 H ILE 209 HN ILE 209 -0.316 -10.211 0.829 278 HA ILE 209 HA ILE 209 -2.410 -10.305 2.900 279 HB ILE 209 HB ILE 209 0.014 -8.489 2.985 280 HG12 ILE 209 HG12 ILE 209 0.611 -10.129 4.966 281 HG13 ILE 209 HG11 ILE 209 -0.318 -11.283 4.016 282 HG21 ILE 209 HG21 ILE 209 -2.007 -9.281 5.077 283 HG22 ILE 209 HG22 ILE 209 -1.905 -7.728 4.251 284 HG23 ILE 209 HG23 ILE 209 -0.614 -8.231 5.340 285 HD11 ILE 209 HD11 ILE 209 2.050 -11.459 3.538 286 HD12 ILE 209 HD12 ILE 209 2.099 -9.757 3.076 287 HD13 ILE 209 HD13 ILE 209 1.167 -10.905 2.115 288 H SEP 210 HN SEP 210 -4.134 -9.068 2.242 289 HA SEP 210 HA SEP 210 -3.410 -6.606 0.832 290 HB2 SEP 210 HB2 SEP 210 -5.557 -6.374 0.019 291 HB3 SEP 210 HB1 SEP 210 -4.910 -7.940 -0.481 292 HA PRO 211 HA PRO 211 -4.104 -4.046 4.228 293 HB2 PRO 211 HB2 PRO 211 -4.073 -2.077 2.061 294 HB3 PRO 211 HB1 PRO 211 -2.903 -2.323 3.348 295 HG2 PRO 211 HG2 PRO 211 -2.308 -2.872 0.815 296 HG3 PRO 211 HG1 PRO 211 -1.736 -3.924 2.126 297 HD2 PRO 211 HD2 PRO 211 -4.102 -4.327 0.329 298 HD3 PRO 211 HD1 PRO 211 -2.874 -5.453 0.766 299 HA PRO 212 HA PRO 212 -8.249 -2.439 4.300 300 HB2 PRO 212 HB2 PRO 212 -7.748 -1.321 6.724 301 HB3 PRO 212 HB1 PRO 212 -8.117 -3.038 6.521 302 HG2 PRO 212 HG2 PRO 212 -5.402 -1.733 6.704 303 HG3 PRO 212 HG1 PRO 212 -6.023 -3.108 7.640 304 HD2 PRO 212 HD2 PRO 212 -4.458 -3.424 5.542 305 HD3 PRO 212 HD1 PRO 212 -5.824 -4.515 5.795 306 H LEU 213 HN LEU 213 -8.788 -0.533 3.316 307 HA LEU 213 HA LEU 213 -7.780 1.913 4.547 308 HB2 LEU 213 HB2 LEU 213 -6.969 2.991 2.745 309 HB3 LEU 213 HB1 LEU 213 -6.681 1.409 2.104 310 HG LEU 213 HG LEU 213 -9.223 2.889 1.643 311 HD11 LEU 213 HD11 LEU 213 -7.459 4.327 0.848 312 HD12 LEU 213 HD12 LEU 213 -8.335 3.628 -0.514 313 HD13 LEU 213 HD13 LEU 213 -6.756 2.991 -0.061 314 HD21 LEU 213 HD21 LEU 213 -7.876 0.658 0.132 315 HD22 LEU 213 HD22 LEU 213 -9.388 1.434 -0.333 316 HD23 LEU 213 HD23 LEU 213 -9.298 0.508 1.166 317 HA PRO 214 HA PRO 214 -11.948 3.061 4.648 318 HB2 PRO 214 HB2 PRO 214 -11.908 5.719 4.027 319 HB3 PRO 214 HB1 PRO 214 -11.368 5.049 5.569 320 HG2 PRO 214 HG2 PRO 214 -9.748 5.895 3.204 321 HG3 PRO 214 HG1 PRO 214 -9.415 6.115 4.930 322 HD2 PRO 214 HD2 PRO 214 -8.221 4.171 3.452 323 HD3 PRO 214 HD1 PRO 214 -8.587 3.981 5.152 324 H PHE 215 HN PHE 215 -10.456 3.552 1.515 325 HA PHE 215 HA PHE 215 -13.095 3.327 0.329 326 HB2 PHE 215 HB2 PHE 215 -12.675 5.187 -1.280 327 HB3 PHE 215 HB1 PHE 215 -12.897 5.709 0.381 328 HD1 PHE 215 HD1 PHE 215 -10.936 6.468 1.698 329 HD2 PHE 215 HD2 PHE 215 -10.675 5.649 -2.467 330 HE1 PHE 215 HE1 PHE 215 -8.846 7.765 1.579 331 HE2 PHE 215 HE2 PHE 215 -8.586 6.939 -2.596 332 HZ PHE 215 HZ PHE 215 -7.668 8.001 -0.572 Start of MODEL 17 1 H1 LEU 7 HT1 LEU 7 9.349 12.181 -0.150 2 H2 LEU 7 HT2 LEU 7 8.142 12.502 -1.301 3 H3 LEU 7 HT3 LEU 7 9.608 11.789 -1.777 4 HA LEU 7 HA LEU 7 7.752 10.521 0.135 5 HB2 LEU 7 HB2 LEU 7 6.664 10.882 -2.072 6 HB3 LEU 7 HB1 LEU 7 7.980 10.012 -2.836 7 HG LEU 7 HG LEU 7 7.347 7.978 -1.580 8 HD11 LEU 7 HD11 LEU 7 5.207 7.910 -0.401 9 HD12 LEU 7 HD12 LEU 7 5.011 9.645 -0.653 10 HD13 LEU 7 HD13 LEU 7 6.324 9.044 0.359 11 HD21 LEU 7 HD21 LEU 7 6.486 8.338 -3.829 12 HD22 LEU 7 HD22 LEU 7 5.115 9.233 -3.173 13 HD23 LEU 7 HD23 LEU 7 5.291 7.513 -2.826 14 HA PRO 8 HA PRO 8 11.584 8.288 0.825 15 HB2 PRO 8 HB2 PRO 8 9.657 6.515 2.246 16 HB3 PRO 8 HB1 PRO 8 11.176 7.216 2.819 17 HG2 PRO 8 HG2 PRO 8 8.866 8.205 3.651 18 HG3 PRO 8 HG1 PRO 8 10.207 9.291 3.239 19 HD2 PRO 8 HD2 PRO 8 7.765 8.607 1.645 20 HD3 PRO 8 HD1 PRO 8 8.556 10.182 1.872 21 HA PRO 9 HA PRO 9 11.465 5.275 -2.432 22 HB2 PRO 9 HB2 PRO 9 13.571 3.745 -1.451 23 HB3 PRO 9 HB1 PRO 9 13.726 5.158 -2.498 24 HG2 PRO 9 HG2 PRO 9 14.010 4.952 0.467 25 HG3 PRO 9 HG1 PRO 9 14.942 5.926 -0.688 26 HD2 PRO 9 HD2 PRO 9 13.059 7.032 0.858 27 HD3 PRO 9 HD1 PRO 9 13.299 7.563 -0.821 28 H GLY 10 HN GLY 10 11.436 4.381 0.947 29 HA2 GLY 10 HA2 GLY 10 11.028 1.636 0.775 30 HA3 GLY 10 HA1 GLY 10 10.488 2.651 2.099 31 H TRP 11 HN TRP 11 8.894 4.036 -0.311 32 HA TRP 11 HA TRP 11 6.517 2.420 0.133 33 HB2 TRP 11 HB2 TRP 11 6.928 5.126 -1.148 34 HB3 TRP 11 HB1 TRP 11 5.365 4.309 -1.127 35 HD1 TRP 11 HD1 TRP 11 7.920 5.935 1.269 36 HE1 TRP 11 HE1 TRP 11 6.704 6.597 3.440 37 HE3 TRP 11 HE3 TRP 11 3.383 3.782 0.335 38 HZ2 TRP 11 HZ2 TRP 11 4.168 6.230 4.605 39 HZ3 TRP 11 HZ3 TRP 11 1.619 3.974 2.035 40 HH2 TRP 11 HH2 TRP 11 2.003 5.172 4.127 41 H GLU 12 HN GLU 12 6.383 0.723 -1.093 42 HA GLU 12 HA GLU 12 7.364 0.680 -3.836 43 HB2 GLU 12 HB2 GLU 12 5.966 -1.541 -2.339 44 HB3 GLU 12 HB1 GLU 12 7.040 -1.684 -3.722 45 HG2 GLU 12 HG2 GLU 12 7.915 -0.752 -0.999 46 HG3 GLU 12 HG1 GLU 12 8.017 -2.418 -1.558 47 H LYS 13 HN LYS 13 6.040 0.438 -5.631 48 HA LYS 13 HA LYS 13 3.195 0.902 -5.218 49 HB2 LYS 13 HB2 LYS 13 4.872 0.754 -7.719 50 HB3 LYS 13 HB1 LYS 13 3.137 1.014 -7.724 51 HG2 LYS 13 HG2 LYS 13 5.157 2.806 -6.406 52 HG3 LYS 13 HG1 LYS 13 4.428 3.084 -7.992 53 HD2 LYS 13 HD2 LYS 13 2.981 2.918 -5.358 54 HD3 LYS 13 HD1 LYS 13 3.313 4.393 -6.265 55 HE2 LYS 13 HE2 LYS 13 1.508 2.110 -7.032 56 HE3 LYS 13 HE1 LYS 13 1.045 3.771 -6.664 57 HZ1 LYS 13 HZ1 LYS 13 2.418 2.743 -9.068 58 HZ2 LYS 13 HZ2 LYS 13 2.519 4.378 -8.643 59 HZ3 LYS 13 HZ3 LYS 13 1.007 3.679 -8.974 60 H ARG 14 HN ARG 14 2.084 -0.859 -4.695 61 HA ARG 14 HA ARG 14 2.688 -3.334 -6.168 62 HB2 ARG 14 HB2 ARG 14 3.471 -3.317 -3.773 63 HB3 ARG 14 HB1 ARG 14 1.791 -3.177 -3.286 64 HG2 ARG 14 HG2 ARG 14 2.424 -5.459 -3.085 65 HG3 ARG 14 HG1 ARG 14 1.343 -5.327 -4.472 66 HD2 ARG 14 HD2 ARG 14 4.356 -5.402 -4.643 67 HD3 ARG 14 HD1 ARG 14 3.310 -6.801 -4.861 68 HE ARG 14 HE ARG 14 3.095 -4.438 -6.609 69 HH11 ARG 14 HH11 ARG 14 3.695 -7.866 -6.199 70 HH12 ARG 14 HH12 ARG 14 3.469 -8.236 -7.887 71 HH21 ARG 14 HH21 ARG 14 2.808 -4.919 -8.819 72 HH22 ARG 14 HH22 ARG 14 2.981 -6.557 -9.380 73 H MET 15 HN MET 15 0.920 -4.701 -6.602 74 HA MET 15 HA MET 15 -1.568 -3.235 -6.894 75 HB2 MET 15 HB2 MET 15 -0.567 -5.853 -8.013 76 HB3 MET 15 HB1 MET 15 -2.225 -5.311 -8.226 77 HG2 MET 15 HG2 MET 15 -0.946 -4.776 -10.184 78 HG3 MET 15 HG1 MET 15 -1.400 -3.290 -9.357 79 HE1 MET 15 HE1 MET 15 0.785 -3.354 -11.616 80 HE2 MET 15 HE2 MET 15 2.065 -2.366 -10.911 81 HE3 MET 15 HE3 MET 15 0.377 -1.886 -10.727 82 H SER 16 HN SER 16 -3.310 -3.565 -5.725 83 HA SER 16 HA SER 16 -3.120 -5.418 -3.500 84 HB2 SER 16 HB2 SER 16 -5.136 -4.192 -2.675 85 HB3 SER 16 HB1 SER 16 -3.741 -3.152 -2.953 86 HG SER 16 HG SER 16 -4.676 -2.361 -4.769 87 H ARG 17 HN ARG 17 -4.393 -7.080 -3.153 88 HA ARG 17 HA ARG 17 -5.259 -8.440 -5.471 89 HB2 ARG 17 HB2 ARG 17 -4.127 -9.267 -3.290 90 HB3 ARG 17 HB1 ARG 17 -5.761 -9.342 -2.658 91 HG2 ARG 17 HG2 ARG 17 -6.397 -10.963 -4.282 92 HG3 ARG 17 HG1 ARG 17 -4.862 -10.777 -5.139 93 HD2 ARG 17 HD2 ARG 17 -4.693 -12.757 -3.821 94 HD3 ARG 17 HD1 ARG 17 -3.708 -11.511 -3.051 95 HE ARG 17 HE ARG 17 -5.511 -11.222 -1.425 96 HH11 ARG 17 HH11 ARG 17 -5.497 -14.168 -3.337 97 HH12 ARG 17 HH12 ARG 17 -6.409 -15.065 -2.163 98 HH21 ARG 17 HH21 ARG 17 -6.659 -12.385 0.100 99 HH22 ARG 17 HH22 ARG 17 -7.089 -14.048 -0.199 100 H SER 18 HN SER 18 -6.970 -6.780 -2.906 101 HA SER 18 HA SER 18 -9.454 -8.094 -3.256 102 HB2 SER 18 HB2 SER 18 -9.071 -5.332 -2.100 103 HB3 SER 18 HB1 SER 18 -10.320 -6.514 -1.706 104 HG SER 18 HG SER 18 -8.166 -7.801 -1.171 105 H SER 19 HN SER 19 -8.687 -4.672 -3.941 106 HA SER 19 HA SER 19 -11.036 -4.553 -5.640 107 HB2 SER 19 HB2 SER 19 -10.687 -2.809 -3.954 108 HB3 SER 19 HB1 SER 19 -9.151 -2.376 -4.700 109 HG SER 19 HG SER 19 -10.885 -2.253 -6.632 110 H GLY 20 HN GLY 20 -7.785 -5.200 -6.136 111 HA2 GLY 20 HA2 GLY 20 -6.462 -5.210 -8.029 112 HA3 GLY 20 HA1 GLY 20 -7.906 -4.813 -8.958 113 H ARG 21 HN ARG 21 -5.918 -3.262 -6.476 114 HA ARG 21 HA ARG 21 -6.153 -0.721 -7.984 115 HB2 ARG 21 HB2 ARG 21 -7.769 -0.926 -6.056 116 HB3 ARG 21 HB1 ARG 21 -6.386 -1.024 -4.980 117 HG2 ARG 21 HG2 ARG 21 -5.689 1.221 -5.695 118 HG3 ARG 21 HG1 ARG 21 -7.112 1.313 -6.736 119 HD2 ARG 21 HD2 ARG 21 -7.069 1.075 -3.728 120 HD3 ARG 21 HD1 ARG 21 -7.573 2.476 -4.674 121 HE ARG 21 HE ARG 21 -9.206 0.446 -5.516 122 HH11 ARG 21 HH11 ARG 21 -8.548 2.001 -2.441 123 HH12 ARG 21 HH12 ARG 21 -10.102 1.615 -1.762 124 HH21 ARG 21 HH21 ARG 21 -11.217 -0.108 -4.615 125 HH22 ARG 21 HH22 ARG 21 -11.609 0.389 -2.993 126 H VAL 22 HN VAL 22 -4.361 0.762 -7.689 127 HA VAL 22 HA VAL 22 -1.942 -0.654 -6.886 128 HB VAL 22 HB VAL 22 -0.788 1.524 -7.629 129 HG11 VAL 22 HG11 VAL 22 -0.762 -0.529 -8.947 130 HG12 VAL 22 HG12 VAL 22 -0.933 0.876 -10.001 131 HG13 VAL 22 HG13 VAL 22 -2.336 -0.129 -9.636 132 HG21 VAL 22 HG21 VAL 22 -3.528 1.990 -8.825 133 HG22 VAL 22 HG22 VAL 22 -2.068 2.902 -9.212 134 HG23 VAL 22 HG23 VAL 22 -2.748 2.974 -7.586 135 H TYR 23 HN TYR 23 -1.379 -0.645 -4.896 136 HA TYR 23 HA TYR 23 -2.045 1.670 -3.214 137 HB2 TYR 23 HB2 TYR 23 -2.535 0.273 -1.434 138 HB3 TYR 23 HB1 TYR 23 -3.141 -0.655 -2.795 139 HD1 TYR 23 HD2 TYR 23 -1.897 -2.656 -3.572 140 HD2 TYR 23 HD1 TYR 23 -0.742 -0.516 -0.086 141 HE1 TYR 23 HE2 TYR 23 -0.555 -4.586 -2.837 142 HE2 TYR 23 HE1 TYR 23 0.598 -2.437 0.659 143 HH TYR 23 HH TYR 23 1.396 -5.014 -1.358 144 H TYR 24 HN TYR 24 -0.512 2.285 -1.650 145 HA TYR 24 HA TYR 24 2.234 1.816 -2.498 146 HB2 TYR 24 HB2 TYR 24 1.118 3.667 -0.373 147 HB3 TYR 24 HB1 TYR 24 2.765 3.667 -0.984 148 HD1 TYR 24 HD2 TYR 24 2.909 3.971 -3.636 149 HD2 TYR 24 HD1 TYR 24 -0.343 5.276 -1.201 150 HE1 TYR 24 HE2 TYR 24 2.325 5.651 -5.310 151 HE2 TYR 24 HE1 TYR 24 -0.940 6.943 -2.896 152 HH TYR 24 HH TYR 24 0.150 8.187 -4.715 153 H PHE 25 HN PHE 25 3.293 0.134 -1.546 154 HA PHE 25 HA PHE 25 2.604 -0.568 1.224 155 HB2 PHE 25 HB2 PHE 25 2.519 -2.533 -0.083 156 HB3 PHE 25 HB1 PHE 25 3.972 -2.104 -0.981 157 HD1 PHE 25 HD1 PHE 25 2.722 -3.337 2.288 158 HD2 PHE 25 HD2 PHE 25 6.108 -2.671 -0.207 159 HE1 PHE 25 HE1 PHE 25 4.136 -4.591 3.865 160 HE2 PHE 25 HE2 PHE 25 7.510 -3.933 1.352 161 HZ PHE 25 HZ PHE 25 6.544 -4.868 3.394 162 H ASN 26 HN ASN 26 3.811 0.443 2.715 163 HA ASN 26 HA ASN 26 6.636 0.958 2.067 164 HB2 ASN 26 HB2 ASN 26 5.441 2.996 2.557 165 HB3 ASN 26 HB1 ASN 26 4.808 2.314 4.055 166 HD21 ASN 26 HD21 ASN 26 5.690 4.063 5.189 167 HD22 ASN 26 HD22 ASN 26 7.379 4.162 5.534 168 H HIS 27 HN HIS 27 8.119 -0.224 3.050 169 HA HIS 27 HA HIS 27 7.230 -1.917 5.262 170 HB2 HIS 27 HB2 HIS 27 9.531 -3.073 4.757 171 HB3 HIS 27 HB1 HIS 27 8.118 -3.393 3.764 172 HD1 HIS 27 HD1 HIS 27 11.325 -1.348 3.700 173 HD2 HIS 27 HD2 HIS 27 8.427 -2.898 1.145 174 HE1 HIS 27 HE1 HIS 27 12.153 -0.874 1.372 175 HE2 HIS 27 HE2 HIS 27 10.302 -1.643 -0.158 176 H ILE 28 HN ILE 28 8.945 0.962 4.965 177 HA ILE 28 HA ILE 28 10.879 0.408 6.998 178 HB ILE 28 HB ILE 28 11.258 2.786 7.213 179 HG12 ILE 28 HG12 ILE 28 8.943 3.231 5.312 180 HG13 ILE 28 HG11 ILE 28 8.867 3.512 7.052 181 HG21 ILE 28 HG21 ILE 28 10.878 1.965 4.339 182 HG22 ILE 28 HG22 ILE 28 12.296 1.660 5.343 183 HG23 ILE 28 HG23 ILE 28 11.872 3.312 4.895 184 HD11 ILE 28 HD11 ILE 28 9.213 5.575 5.806 185 HD12 ILE 28 HD12 ILE 28 10.700 4.918 5.121 186 HD13 ILE 28 HD13 ILE 28 10.586 5.221 6.855 187 H THR 29 HN THR 29 7.648 1.897 7.032 188 HA THR 29 HA THR 29 7.486 1.487 9.905 189 HB THR 29 HB THR 29 6.408 3.488 8.992 190 HG1 THR 29 HG1 THR 29 5.250 1.692 10.581 191 HG21 THR 29 HG21 THR 29 4.403 3.314 7.594 192 HG22 THR 29 HG22 THR 29 4.624 1.566 7.497 193 HG23 THR 29 HG23 THR 29 5.819 2.648 6.780 194 H ASN 30 HN ASN 30 6.972 -0.230 7.054 195 HA ASN 30 HA ASN 30 6.203 -2.312 6.537 196 HB2 ASN 30 HB2 ASN 30 7.222 -2.733 8.928 197 HB3 ASN 30 HB1 ASN 30 5.536 -2.877 9.412 198 HD21 ASN 30 HD21 ASN 30 4.288 -4.587 8.556 199 HD22 ASN 30 HD22 ASN 30 5.032 -5.995 7.876 200 H ALA 31 HN ALA 31 4.452 0.118 7.089 201 HA ALA 31 HA ALA 31 1.880 -1.222 7.483 202 HB1 ALA 31 HB1 ALA 31 0.934 1.005 7.768 203 HB2 ALA 31 HB2 ALA 31 2.503 1.728 7.417 204 HB3 ALA 31 HB3 ALA 31 2.287 0.754 8.870 205 H SER 32 HN SER 32 0.651 -1.671 5.819 206 HA SER 32 HA SER 32 1.383 -0.742 3.171 207 HB2 SER 32 HB2 SER 32 -0.464 -2.416 2.547 208 HB3 SER 32 HB1 SER 32 0.988 -3.072 3.303 209 HG SER 32 HG SER 32 -1.358 -2.374 4.739 210 H GLN 33 HN GLN 33 0.302 0.809 2.078 211 HA GLN 33 HA GLN 33 -2.226 1.792 3.238 212 HB2 GLN 33 HB2 GLN 33 0.125 3.434 2.275 213 HB3 GLN 33 HB1 GLN 33 -1.421 4.091 2.794 214 HG2 GLN 33 HG2 GLN 33 0.169 2.360 4.636 215 HG3 GLN 33 HG1 GLN 33 0.577 4.064 4.435 216 HE21 GLN 33 HE21 GLN 33 -1.890 1.817 5.458 217 HE22 GLN 33 HE22 GLN 33 -2.810 2.945 6.391 218 H TRP 34 HN TRP 34 -3.735 1.369 1.666 219 HA TRP 34 HA TRP 34 -3.151 1.662 -1.154 220 HB2 TRP 34 HB2 TRP 34 -5.869 1.650 0.216 221 HB3 TRP 34 HB1 TRP 34 -5.566 1.487 -1.512 222 HD1 TRP 34 HD1 TRP 34 -3.422 -0.549 0.878 223 HE1 TRP 34 HE1 TRP 34 -4.098 -3.012 0.650 224 HE3 TRP 34 HE3 TRP 34 -7.483 0.000 -2.102 225 HZ2 TRP 34 HZ2 TRP 34 -6.084 -4.526 -0.572 226 HZ3 TRP 34 HZ3 TRP 34 -8.758 -2.015 -2.768 227 HH2 TRP 34 HH2 TRP 34 -8.060 -4.242 -2.019 228 H GLU 35 HN GLU 35 -3.966 3.513 1.480 229 HA GLU 35 HA GLU 35 -5.163 5.695 0.009 230 HB2 GLU 35 HB2 GLU 35 -5.838 6.450 2.167 231 HB3 GLU 35 HB1 GLU 35 -5.992 4.672 2.188 232 HG2 GLU 35 HG2 GLU 35 -3.396 5.660 3.106 233 HG3 GLU 35 HG1 GLU 35 -4.759 6.172 4.102 234 H ARG 36 HN ARG 36 -4.257 7.932 0.438 235 HA ARG 36 HA ARG 36 -1.607 7.825 -0.572 236 HB2 ARG 36 HB2 ARG 36 -3.373 10.126 0.199 237 HB3 ARG 36 HB1 ARG 36 -1.788 10.340 -0.523 238 HG2 ARG 36 HG2 ARG 36 -2.510 9.192 -2.523 239 HG3 ARG 36 HG1 ARG 36 -4.080 8.850 -1.791 240 HD2 ARG 36 HD2 ARG 36 -4.521 11.257 -1.637 241 HD3 ARG 36 HD1 ARG 36 -2.957 11.589 -2.377 242 HE ARG 36 HE ARG 36 -3.943 10.213 -4.318 243 HH11 ARG 36 HH11 ARG 36 -5.754 12.367 -2.226 244 HH12 ARG 36 HH12 ARG 36 -6.948 12.744 -3.440 245 HH21 ARG 36 HH21 ARG 36 -5.485 10.721 -5.919 246 HH22 ARG 36 HH22 ARG 36 -6.778 11.824 -5.545 247 HA PRO 37 HA PRO 37 0.637 7.850 3.238 248 HB2 PRO 37 HB2 PRO 37 2.852 9.053 1.725 249 HB3 PRO 37 HB1 PRO 37 2.776 7.501 2.563 250 HG2 PRO 37 HG2 PRO 37 2.787 7.694 -0.126 251 HG3 PRO 37 HG1 PRO 37 1.927 6.405 0.734 252 HD2 PRO 37 HD2 PRO 37 0.858 8.861 -0.571 253 HD3 PRO 37 HD1 PRO 37 0.159 7.234 -0.457 254 H SER 38 HN SER 38 0.697 10.698 1.171 255 HA SER 38 HA SER 38 1.158 12.349 3.557 256 HB2 SER 38 HB2 SER 38 3.120 12.279 2.019 257 HB3 SER 38 HB1 SER 38 2.103 12.944 0.741 258 HG SER 38 HG SER 38 3.266 14.180 2.915 259 H GLY 39 HN GLY 39 -0.445 13.664 4.014 260 HA2 GLY 39 HA2 GLY 39 -2.358 14.369 1.887 261 HA3 GLY 39 HA1 GLY 39 -2.708 14.379 3.612 262 H1 ARG 208 HT1 ARG 208 0.469 -12.273 -0.766 263 H2 ARG 208 HT2 ARG 208 -0.776 -11.617 -1.716 264 H3 ARG 208 HT3 ARG 208 -0.131 -13.142 -2.094 265 HA ARG 208 HA ARG 208 -2.246 -13.409 -1.047 266 HB2 ARG 208 HB2 ARG 208 -0.635 -15.137 -0.589 267 HB3 ARG 208 HB1 ARG 208 0.130 -14.167 0.660 268 HG2 ARG 208 HG2 ARG 208 -1.218 -15.956 1.608 269 HG3 ARG 208 HG1 ARG 208 -1.844 -14.370 2.059 270 HD2 ARG 208 HD2 ARG 208 -3.688 -15.798 1.497 271 HD3 ARG 208 HD1 ARG 208 -3.520 -14.572 0.243 272 HE ARG 208 HE ARG 208 -2.397 -16.329 -1.108 273 HH11 ARG 208 HH11 ARG 208 -4.500 -17.253 1.548 274 HH12 ARG 208 HH12 ARG 208 -4.935 -18.776 0.832 275 HH21 ARG 208 HH21 ARG 208 -2.949 -18.347 -2.032 276 HH22 ARG 208 HH22 ARG 208 -4.060 -19.402 -1.199 277 H ILE 209 HN ILE 209 -0.094 -11.231 0.663 278 HA ILE 209 HA ILE 209 -2.034 -10.688 2.744 279 HB ILE 209 HB ILE 209 0.399 -9.002 2.078 280 HG12 ILE 209 HG12 ILE 209 0.252 -11.385 3.954 281 HG13 ILE 209 HG11 ILE 209 1.036 -11.398 2.377 282 HG21 ILE 209 HG21 ILE 209 -1.153 -9.424 4.636 283 HG22 ILE 209 HG22 ILE 209 -1.218 -7.998 3.600 284 HG23 ILE 209 HG23 ILE 209 0.273 -8.403 4.452 285 HD11 ILE 209 HD11 ILE 209 2.656 -11.154 4.164 286 HD12 ILE 209 HD12 ILE 209 1.832 -9.701 4.732 287 HD13 ILE 209 HD13 ILE 209 2.618 -9.709 3.153 288 H SEP 210 HN SEP 210 -3.729 -9.269 2.500 289 HA SEP 210 HA SEP 210 -3.121 -6.952 0.839 290 HB2 SEP 210 HB2 SEP 210 -5.210 -6.725 -0.030 291 HB3 SEP 210 HB1 SEP 210 -4.635 -8.341 -0.430 292 HA PRO 211 HA PRO 211 -3.844 -4.394 4.239 293 HB2 PRO 211 HB2 PRO 211 -3.755 -2.439 2.059 294 HB3 PRO 211 HB1 PRO 211 -2.614 -2.676 3.381 295 HG2 PRO 211 HG2 PRO 211 -1.947 -3.249 0.872 296 HG3 PRO 211 HG1 PRO 211 -1.434 -4.311 2.202 297 HD2 PRO 211 HD2 PRO 211 -3.760 -4.662 0.340 298 HD3 PRO 211 HD1 PRO 211 -2.550 -5.812 0.794 299 HA PRO 212 HA PRO 212 -7.939 -2.662 4.138 300 HB2 PRO 212 HB2 PRO 212 -7.635 -1.842 6.693 301 HB3 PRO 212 HB1 PRO 212 -8.016 -3.521 6.286 302 HG2 PRO 212 HG2 PRO 212 -5.306 -2.311 6.834 303 HG3 PRO 212 HG1 PRO 212 -6.033 -3.752 7.576 304 HD2 PRO 212 HD2 PRO 212 -4.284 -3.870 5.588 305 HD3 PRO 212 HD1 PRO 212 -5.653 -4.990 5.653 306 H LEU 213 HN LEU 213 -8.048 -0.660 3.079 307 HA LEU 213 HA LEU 213 -6.871 1.606 4.603 308 HB2 LEU 213 HB2 LEU 213 -6.609 2.932 2.763 309 HB3 LEU 213 HB1 LEU 213 -6.237 1.414 2.026 310 HG LEU 213 HG LEU 213 -8.900 2.738 1.998 311 HD11 LEU 213 HD11 LEU 213 -7.313 4.078 0.767 312 HD12 LEU 213 HD12 LEU 213 -8.438 3.299 -0.346 313 HD13 LEU 213 HD13 LEU 213 -6.803 2.665 -0.156 314 HD21 LEU 213 HD21 LEU 213 -9.454 1.133 0.216 315 HD22 LEU 213 HD22 LEU 213 -9.039 0.316 1.724 316 HD23 LEU 213 HD23 LEU 213 -7.866 0.388 0.410 317 HA PRO 214 HA PRO 214 -10.798 3.169 5.691 318 HB2 PRO 214 HB2 PRO 214 -10.926 5.684 4.579 319 HB3 PRO 214 HB1 PRO 214 -10.021 5.271 6.039 320 HG2 PRO 214 HG2 PRO 214 -9.048 5.540 3.219 321 HG3 PRO 214 HG1 PRO 214 -8.295 6.107 4.722 322 HD2 PRO 214 HD2 PRO 214 -7.439 3.858 3.527 323 HD3 PRO 214 HD1 PRO 214 -7.546 3.977 5.265 324 H PHE 215 HN PHE 215 -10.301 2.802 2.303 325 HA PHE 215 HA PHE 215 -13.158 2.593 1.945 326 HB2 PHE 215 HB2 PHE 215 -13.135 4.034 -0.130 327 HB3 PHE 215 HB1 PHE 215 -13.017 4.889 1.397 328 HD1 PHE 215 HD2 PHE 215 -10.727 5.711 2.131 329 HD2 PHE 215 HD1 PHE 215 -11.545 4.342 -1.813 330 HE1 PHE 215 HE2 PHE 215 -8.741 6.907 1.308 331 HE2 PHE 215 HE1 PHE 215 -9.564 5.539 -2.645 332 HZ PHE 215 HZ PHE 215 -8.159 6.823 -1.083 Start of MODEL 18 1 H1 LEU 7 HT1 LEU 7 7.613 10.213 -1.410 2 H2 LEU 7 HT2 LEU 7 9.262 10.230 -1.019 3 H3 LEU 7 HT3 LEU 7 8.148 11.011 -0.013 4 HA LEU 7 HA LEU 7 8.862 8.989 0.958 5 HB2 LEU 7 HB2 LEU 7 6.589 7.878 1.204 6 HB3 LEU 7 HB1 LEU 7 6.772 9.539 1.703 7 HG LEU 7 HG LEU 7 4.607 8.922 0.553 8 HD11 LEU 7 HD11 LEU 7 5.292 11.221 0.850 9 HD12 LEU 7 HD12 LEU 7 4.466 11.001 -0.693 10 HD13 LEU 7 HD13 LEU 7 6.222 11.153 -0.646 11 HD21 LEU 7 HD21 LEU 7 6.357 8.883 -1.896 12 HD22 LEU 7 HD22 LEU 7 4.594 8.918 -1.897 13 HD23 LEU 7 HD23 LEU 7 5.448 7.528 -1.232 14 HA PRO 8 HA PRO 8 7.999 5.757 -2.776 15 HB2 PRO 8 HB2 PRO 8 10.334 6.256 -4.283 16 HB3 PRO 8 HB1 PRO 8 8.657 6.467 -4.793 17 HG2 PRO 8 HG2 PRO 8 10.592 8.465 -3.753 18 HG3 PRO 8 HG1 PRO 8 9.282 8.670 -4.930 19 HD2 PRO 8 HD2 PRO 8 9.051 9.594 -2.436 20 HD3 PRO 8 HD1 PRO 8 7.662 8.877 -3.279 21 HA PRO 9 HA PRO 9 12.601 4.414 -1.445 22 HB2 PRO 9 HB2 PRO 9 13.173 5.682 0.983 23 HB3 PRO 9 HB1 PRO 9 13.958 5.986 -0.568 24 HG2 PRO 9 HG2 PRO 9 11.736 7.473 0.756 25 HG3 PRO 9 HG1 PRO 9 13.093 8.094 -0.203 26 HD2 PRO 9 HD2 PRO 9 10.654 7.939 -1.254 27 HD3 PRO 9 HD1 PRO 9 12.086 7.529 -2.224 28 H GLY 10 HN GLY 10 9.968 5.372 0.679 29 HA2 GLY 10 HA2 GLY 10 10.301 2.838 2.151 30 HA3 GLY 10 HA1 GLY 10 9.469 4.255 2.778 31 H TRP 11 HN TRP 11 7.931 4.876 0.508 32 HA TRP 11 HA TRP 11 5.865 2.850 0.825 33 HB2 TRP 11 HB2 TRP 11 5.782 5.605 -0.427 34 HB3 TRP 11 HB1 TRP 11 4.384 4.555 -0.239 35 HD1 TRP 11 HD1 TRP 11 7.012 6.301 2.033 36 HE1 TRP 11 HE1 TRP 11 5.864 6.996 4.220 37 HE3 TRP 11 HE3 TRP 11 2.391 4.337 1.162 38 HZ2 TRP 11 HZ2 TRP 11 3.335 6.731 5.424 39 HZ3 TRP 11 HZ3 TRP 11 0.658 4.599 2.885 40 HH2 TRP 11 HH2 TRP 11 1.120 5.777 4.972 41 H GLU 12 HN GLU 12 5.886 1.240 -0.548 42 HA GLU 12 HA GLU 12 6.969 1.488 -3.241 43 HB2 GLU 12 HB2 GLU 12 5.836 -0.878 -1.722 44 HB3 GLU 12 HB1 GLU 12 6.557 -0.966 -3.320 45 HG2 GLU 12 HG2 GLU 12 8.097 0.069 -0.970 46 HG3 GLU 12 HG1 GLU 12 7.967 -1.655 -1.308 47 H LYS 13 HN LYS 13 5.771 1.303 -5.098 48 HA LYS 13 HA LYS 13 2.879 1.459 -4.802 49 HB2 LYS 13 HB2 LYS 13 4.653 1.718 -7.220 50 HB3 LYS 13 HB1 LYS 13 2.906 1.843 -7.272 51 HG2 LYS 13 HG2 LYS 13 4.805 3.655 -5.808 52 HG3 LYS 13 HG1 LYS 13 3.918 4.029 -7.288 53 HD2 LYS 13 HD2 LYS 13 2.694 3.407 -4.608 54 HD3 LYS 13 HD1 LYS 13 2.875 5.015 -5.302 55 HE2 LYS 13 HE2 LYS 13 1.232 2.760 -6.436 56 HE3 LYS 13 HE1 LYS 13 0.608 4.174 -5.592 57 HZ1 LYS 13 HZ1 LYS 13 1.769 3.996 -8.291 58 HZ2 LYS 13 HZ2 LYS 13 1.886 5.453 -7.435 59 HZ3 LYS 13 HZ3 LYS 13 0.362 4.794 -7.777 60 H ARG 14 HN ARG 14 2.100 -0.495 -4.347 61 HA ARG 14 HA ARG 14 2.895 -2.748 -6.068 62 HB2 ARG 14 HB2 ARG 14 3.630 -2.982 -3.707 63 HB3 ARG 14 HB1 ARG 14 1.958 -2.827 -3.187 64 HG2 ARG 14 HG2 ARG 14 1.383 -4.886 -4.335 65 HG3 ARG 14 HG1 ARG 14 3.033 -5.032 -4.939 66 HD2 ARG 14 HD2 ARG 14 2.277 -4.986 -2.022 67 HD3 ARG 14 HD1 ARG 14 2.541 -6.456 -2.956 68 HE ARG 14 HE ARG 14 4.815 -4.913 -3.267 69 HH11 ARG 14 HH11 ARG 14 3.094 -6.394 -0.612 70 HH12 ARG 14 HH12 ARG 14 4.526 -6.710 0.323 71 HH21 ARG 14 HH21 ARG 14 6.703 -5.306 -2.064 72 HH22 ARG 14 HH22 ARG 14 6.592 -6.089 -0.507 73 H MET 15 HN MET 15 1.235 -4.208 -6.687 74 HA MET 15 HA MET 15 -1.351 -2.888 -6.911 75 HB2 MET 15 HB2 MET 15 -0.349 -3.836 -8.932 76 HB3 MET 15 HB1 MET 15 -0.288 -5.423 -8.175 77 HG2 MET 15 HG2 MET 15 -2.721 -5.482 -8.078 78 HG3 MET 15 HG1 MET 15 -2.795 -3.883 -8.817 79 HE1 MET 15 HE1 MET 15 -4.329 -6.508 -9.885 80 HE2 MET 15 HE2 MET 15 -4.106 -6.308 -11.623 81 HE3 MET 15 HE3 MET 15 -4.487 -4.910 -10.616 82 H SER 16 HN SER 16 -3.068 -3.420 -5.795 83 HA SER 16 HA SER 16 -2.885 -5.522 -3.804 84 HB2 SER 16 HB2 SER 16 -5.060 -4.508 -3.012 85 HB3 SER 16 HB1 SER 16 -3.679 -3.412 -2.984 86 HG SER 16 HG SER 16 -4.454 -2.365 -4.737 87 H ARG 17 HN ARG 17 -4.602 -7.014 -3.507 88 HA ARG 17 HA ARG 17 -4.570 -8.515 -5.894 89 HB2 ARG 17 HB2 ARG 17 -4.137 -9.316 -3.579 90 HB3 ARG 17 HB1 ARG 17 -5.840 -9.110 -3.229 91 HG2 ARG 17 HG2 ARG 17 -6.404 -10.791 -4.895 92 HG3 ARG 17 HG1 ARG 17 -4.687 -11.019 -5.250 93 HD2 ARG 17 HD2 ARG 17 -4.314 -11.637 -2.901 94 HD3 ARG 17 HD1 ARG 17 -6.038 -11.463 -2.594 95 HE ARG 17 HE ARG 17 -5.490 -13.328 -4.699 96 HH11 ARG 17 HH11 ARG 17 -5.708 -12.864 -1.245 97 HH12 ARG 17 HH12 ARG 17 -5.883 -14.556 -0.879 98 HH21 ARG 17 HH21 ARG 17 -5.736 -15.563 -4.248 99 HH22 ARG 17 HH22 ARG 17 -5.905 -16.096 -2.608 100 H SER 18 HN SER 18 -7.393 -7.999 -3.736 101 HA SER 18 HA SER 18 -9.133 -9.023 -5.725 102 HB2 SER 18 HB2 SER 18 -9.836 -7.520 -3.198 103 HB3 SER 18 HB1 SER 18 -10.942 -8.495 -4.167 104 HG SER 18 HG SER 18 -8.704 -9.339 -2.637 105 H SER 19 HN SER 19 -8.339 -5.728 -4.757 106 HA SER 19 HA SER 19 -10.506 -4.683 -6.379 107 HB2 SER 19 HB2 SER 19 -8.466 -3.250 -4.671 108 HB3 SER 19 HB1 SER 19 -9.839 -2.490 -5.478 109 HG SER 19 HG SER 19 -11.218 -3.810 -4.232 110 H GLY 20 HN GLY 20 -7.251 -5.480 -6.871 111 HA2 GLY 20 HA2 GLY 20 -5.745 -5.000 -8.547 112 HA3 GLY 20 HA1 GLY 20 -7.151 -4.577 -9.515 113 H ARG 21 HN ARG 21 -5.521 -3.178 -6.675 114 HA ARG 21 HA ARG 21 -5.679 -0.550 -8.049 115 HB2 ARG 21 HB2 ARG 21 -6.433 -1.214 -5.204 116 HB3 ARG 21 HB1 ARG 21 -6.123 0.429 -5.746 117 HG2 ARG 21 HG2 ARG 21 -7.943 0.251 -7.356 118 HG3 ARG 21 HG1 ARG 21 -8.254 -1.404 -6.828 119 HD2 ARG 21 HD2 ARG 21 -8.754 -0.590 -4.576 120 HD3 ARG 21 HD1 ARG 21 -8.435 1.063 -5.100 121 HE ARG 21 HE ARG 21 -10.348 0.498 -6.777 122 HH11 ARG 21 HH11 ARG 21 -10.143 -0.521 -3.428 123 HH12 ARG 21 HH12 ARG 21 -11.865 -0.533 -3.185 124 HH21 ARG 21 HH21 ARG 21 -12.618 0.501 -6.456 125 HH22 ARG 21 HH22 ARG 21 -13.270 0.067 -4.897 126 H VAL 22 HN VAL 22 -4.057 1.003 -7.480 127 HA VAL 22 HA VAL 22 -1.612 -0.320 -6.598 128 HB VAL 22 HB VAL 22 -0.529 1.908 -7.226 129 HG11 VAL 22 HG11 VAL 22 -0.431 -0.074 -8.646 130 HG12 VAL 22 HG12 VAL 22 -0.590 1.389 -9.618 131 HG13 VAL 22 HG13 VAL 22 -1.990 0.347 -9.355 132 HG21 VAL 22 HG21 VAL 22 -2.532 3.306 -7.161 133 HG22 VAL 22 HG22 VAL 22 -3.241 2.365 -8.473 134 HG23 VAL 22 HG23 VAL 22 -1.796 3.334 -8.764 135 H TYR 23 HN TYR 23 -1.468 -0.488 -4.495 136 HA TYR 23 HA TYR 23 -2.142 1.817 -2.806 137 HB2 TYR 23 HB2 TYR 23 -2.535 0.335 -1.010 138 HB3 TYR 23 HB1 TYR 23 -3.269 -0.447 -2.399 139 HD1 TYR 23 HD2 TYR 23 -2.026 -2.381 -3.486 140 HD2 TYR 23 HD1 TYR 23 -0.852 -0.710 0.241 141 HE1 TYR 23 HE2 TYR 23 -0.742 -4.416 -2.980 142 HE2 TYR 23 HE1 TYR 23 0.433 -2.736 0.750 143 HH TYR 23 HH TYR 23 0.444 -5.117 0.109 144 H TYR 24 HN TYR 24 -0.705 2.413 -1.127 145 HA TYR 24 HA TYR 24 2.063 2.090 -1.961 146 HB2 TYR 24 HB2 TYR 24 0.986 3.841 0.251 147 HB3 TYR 24 HB1 TYR 24 2.546 3.965 -0.547 148 HD1 TYR 24 HD1 TYR 24 2.607 4.697 -2.978 149 HD2 TYR 24 HD2 TYR 24 -0.901 4.980 -0.574 150 HE1 TYR 24 HE1 TYR 24 1.682 6.371 -4.511 151 HE2 TYR 24 HE2 TYR 24 -1.837 6.643 -2.124 152 HH TYR 24 HH TYR 24 -0.311 7.359 -5.180 153 H PHE 25 HN PHE 25 2.932 0.244 -1.158 154 HA PHE 25 HA PHE 25 2.370 -0.551 1.590 155 HB2 PHE 25 HB2 PHE 25 2.406 -2.459 0.227 156 HB3 PHE 25 HB1 PHE 25 3.765 -1.874 -0.728 157 HD1 PHE 25 HD1 PHE 25 2.817 -3.355 2.539 158 HD2 PHE 25 HD2 PHE 25 5.973 -2.331 -0.129 159 HE1 PHE 25 HE1 PHE 25 4.415 -4.573 3.958 160 HE2 PHE 25 HE2 PHE 25 7.564 -3.554 1.274 161 HZ PHE 25 HZ PHE 25 6.806 -4.649 3.322 162 H ASN 26 HN ASN 26 3.490 0.484 3.134 163 HA ASN 26 HA ASN 26 6.213 1.376 2.490 164 HB2 ASN 26 HB2 ASN 26 4.740 3.161 3.206 165 HB3 ASN 26 HB1 ASN 26 4.299 2.262 4.655 166 HD21 ASN 26 HD21 ASN 26 4.973 4.063 5.875 167 HD22 ASN 26 HD22 ASN 26 6.647 4.344 6.192 168 H HIS 27 HN HIS 27 7.848 0.198 3.229 169 HA HIS 27 HA HIS 27 7.252 -1.771 5.299 170 HB2 HIS 27 HB2 HIS 27 9.680 -2.564 4.624 171 HB3 HIS 27 HB1 HIS 27 8.259 -3.011 3.695 172 HD1 HIS 27 HD1 HIS 27 11.140 -0.527 3.589 173 HD2 HIS 27 HD2 HIS 27 8.335 -2.346 1.110 174 HE1 HIS 27 HE1 HIS 27 11.731 0.204 1.252 175 HE2 HIS 27 HE2 HIS 27 9.923 -0.760 -0.215 176 H ILE 28 HN ILE 28 8.684 1.287 5.247 177 HA ILE 28 HA ILE 28 10.626 0.712 7.282 178 HB ILE 28 HB ILE 28 10.843 3.080 7.662 179 HG12 ILE 28 HG12 ILE 28 8.448 3.476 5.855 180 HG13 ILE 28 HG11 ILE 28 8.437 3.672 7.605 181 HG21 ILE 28 HG21 ILE 28 11.938 2.184 5.692 182 HG22 ILE 28 HG22 ILE 28 11.415 3.843 5.404 183 HG23 ILE 28 HG23 ILE 28 10.497 2.498 4.726 184 HD11 ILE 28 HD11 ILE 28 10.049 5.300 5.655 185 HD12 ILE 28 HD12 ILE 28 10.042 5.499 7.407 186 HD13 ILE 28 HD13 ILE 28 8.575 5.813 6.476 187 H THR 29 HN THR 29 7.278 1.809 7.238 188 HA THR 29 HA THR 29 7.027 1.452 10.105 189 HB THR 29 HB THR 29 4.711 1.852 8.233 190 HG1 THR 29 HG1 THR 29 6.032 4.122 9.232 191 HG21 THR 29 HG21 THR 29 4.258 1.531 10.618 192 HG22 THR 29 HG22 THR 29 3.840 3.169 10.110 193 HG23 THR 29 HG23 THR 29 5.331 2.875 11.006 194 H ASN 30 HN ASN 30 6.776 -0.373 7.240 195 HA ASN 30 HA ASN 30 6.224 -2.530 6.744 196 HB2 ASN 30 HB2 ASN 30 7.204 -3.027 9.022 197 HB3 ASN 30 HB1 ASN 30 5.580 -2.905 9.687 198 HD21 ASN 30 HD21 ASN 30 6.354 -4.300 6.558 199 HD22 ASN 30 HD22 ASN 30 5.932 -5.923 6.973 200 H ALA 31 HN ALA 31 4.292 -0.175 7.343 201 HA ALA 31 HA ALA 31 1.766 -1.582 7.675 202 HB1 ALA 31 HB1 ALA 31 2.326 1.372 7.386 203 HB2 ALA 31 HB2 ALA 31 2.129 0.506 8.909 204 HB3 ALA 31 HB3 ALA 31 0.772 0.641 7.791 205 H SER 32 HN SER 32 0.462 -2.087 6.043 206 HA SER 32 HA SER 32 1.174 -1.209 3.349 207 HB2 SER 32 HB2 SER 32 -0.745 -3.348 4.307 208 HB3 SER 32 HB1 SER 32 -0.378 -3.004 2.620 209 HG SER 32 HG SER 32 1.694 -3.569 4.433 210 H GLN 33 HN GLN 33 0.262 0.683 2.802 211 HA GLN 33 HA GLN 33 -2.459 1.252 3.775 212 HB2 GLN 33 HB2 GLN 33 -0.321 3.172 2.833 213 HB3 GLN 33 HB1 GLN 33 -1.911 3.619 3.434 214 HG2 GLN 33 HG2 GLN 33 0.362 2.401 4.973 215 HG3 GLN 33 HG1 GLN 33 -0.343 4.004 5.168 216 HE21 GLN 33 HE21 GLN 33 -2.545 4.114 5.951 217 HE22 GLN 33 HE22 GLN 33 -3.099 2.896 7.058 218 H TRP 34 HN TRP 34 -3.972 2.131 2.390 219 HA TRP 34 HA TRP 34 -3.472 1.753 -0.501 220 HB2 TRP 34 HB2 TRP 34 -5.974 1.767 1.171 221 HB3 TRP 34 HB1 TRP 34 -6.039 1.910 -0.571 222 HD1 TRP 34 HD1 TRP 34 -4.070 -0.491 1.726 223 HE1 TRP 34 HE1 TRP 34 -4.596 -2.884 0.990 224 HE3 TRP 34 HE3 TRP 34 -7.350 0.490 -2.067 225 HZ2 TRP 34 HZ2 TRP 34 -6.158 -4.183 -0.865 226 HZ3 TRP 34 HZ3 TRP 34 -8.327 -1.418 -3.284 227 HH2 TRP 34 HH2 TRP 34 -7.738 -3.720 -2.697 228 H GLU 35 HN GLU 35 -4.370 3.877 2.008 229 HA GLU 35 HA GLU 35 -5.445 5.879 0.227 230 HB2 GLU 35 HB2 GLU 35 -6.437 6.790 2.118 231 HB3 GLU 35 HB1 GLU 35 -6.394 5.063 2.542 232 HG2 GLU 35 HG2 GLU 35 -4.407 7.171 3.451 233 HG3 GLU 35 HG1 GLU 35 -5.768 6.578 4.393 234 H ARG 36 HN ARG 36 -4.580 8.042 0.207 235 HA ARG 36 HA ARG 36 -1.795 7.829 -0.346 236 HB2 ARG 36 HB2 ARG 36 -3.586 10.254 -0.382 237 HB3 ARG 36 HB1 ARG 36 -1.999 10.138 -1.125 238 HG2 ARG 36 HG2 ARG 36 -2.752 8.601 -2.740 239 HG3 ARG 36 HG1 ARG 36 -4.263 8.318 -1.874 240 HD2 ARG 36 HD2 ARG 36 -4.714 9.714 -3.765 241 HD3 ARG 36 HD1 ARG 36 -4.886 10.678 -2.301 242 HE ARG 36 HE ARG 36 -2.260 10.967 -3.301 243 HH11 ARG 36 HH11 ARG 36 -5.571 11.900 -3.953 244 HH12 ARG 36 HH12 ARG 36 -5.138 13.291 -4.895 245 HH21 ARG 36 HH21 ARG 36 -1.673 12.794 -4.560 246 HH22 ARG 36 HH22 ARG 36 -2.928 13.806 -5.237 247 HA PRO 37 HA PRO 37 -0.199 9.374 3.522 248 HB2 PRO 37 HB2 PRO 37 2.376 9.704 2.647 249 HB3 PRO 37 HB1 PRO 37 1.714 8.140 3.121 250 HG2 PRO 37 HG2 PRO 37 2.221 9.243 0.416 251 HG3 PRO 37 HG1 PRO 37 2.273 7.566 0.979 252 HD2 PRO 37 HD2 PRO 37 0.214 8.705 -0.479 253 HD3 PRO 37 HD1 PRO 37 0.078 7.233 0.494 254 H SER 38 HN SER 38 1.916 10.927 1.231 255 HA SER 38 HA SER 38 0.343 13.371 1.225 256 HB2 SER 38 HB2 SER 38 2.008 13.638 3.066 257 HB3 SER 38 HB1 SER 38 3.302 13.359 1.903 258 HG SER 38 HG SER 38 2.669 15.237 0.808 259 H GLY 39 HN GLY 39 -0.127 13.113 -0.915 260 HA2 GLY 39 HA2 GLY 39 1.127 14.063 -2.982 261 HA3 GLY 39 HA1 GLY 39 2.100 12.617 -2.748 262 H1 ARG 208 HT1 ARG 208 -1.353 -14.578 -0.495 263 H2 ARG 208 HT2 ARG 208 0.070 -13.982 0.203 264 H3 ARG 208 HT3 ARG 208 0.062 -14.444 -1.426 265 HA ARG 208 HA ARG 208 0.006 -12.086 -1.321 266 HB2 ARG 208 HB2 ARG 208 -2.640 -13.342 -2.058 267 HB3 ARG 208 HB1 ARG 208 -2.287 -11.646 -2.348 268 HG2 ARG 208 HG2 ARG 208 -1.850 -12.678 -4.382 269 HG3 ARG 208 HG1 ARG 208 -0.257 -12.477 -3.655 270 HD2 ARG 208 HD2 ARG 208 -0.570 -14.864 -2.777 271 HD3 ARG 208 HD1 ARG 208 -1.895 -14.976 -3.937 272 HE ARG 208 HE ARG 208 0.689 -14.099 -4.964 273 HH11 ARG 208 HH11 ARG 208 -1.633 -16.718 -4.610 274 HH12 ARG 208 HH12 ARG 208 -0.877 -17.695 -5.832 275 HH21 ARG 208 HH21 ARG 208 1.661 -15.383 -6.545 276 HH22 ARG 208 HH22 ARG 208 0.996 -16.942 -6.932 277 H ILE 209 HN ILE 209 -0.144 -10.497 0.086 278 HA ILE 209 HA ILE 209 -2.226 -10.650 2.175 279 HB ILE 209 HB ILE 209 0.251 -8.894 2.216 280 HG12 ILE 209 HG12 ILE 209 0.882 -10.613 4.105 281 HG13 ILE 209 HG11 ILE 209 -0.174 -11.698 3.208 282 HG21 ILE 209 HG21 ILE 209 -1.690 -9.678 4.387 283 HG22 ILE 209 HG22 ILE 209 -1.595 -8.109 3.586 284 HG23 ILE 209 HG23 ILE 209 -0.259 -8.666 4.593 285 HD11 ILE 209 HD11 ILE 209 2.145 -12.005 2.577 286 HD12 ILE 209 HD12 ILE 209 2.262 -10.305 2.123 287 HD13 ILE 209 HD13 ILE 209 1.203 -11.389 1.219 288 H SEP 210 HN SEP 210 -4.008 -9.475 1.459 289 HA SEP 210 HA SEP 210 -3.311 -6.783 0.537 290 HB2 SEP 210 HB2 SEP 210 -5.245 -6.485 -0.564 291 HB3 SEP 210 HB1 SEP 210 -4.654 -8.071 -1.093 292 HA PRO 211 HA PRO 211 -4.624 -4.936 4.221 293 HB2 PRO 211 HB2 PRO 211 -4.402 -2.609 2.456 294 HB3 PRO 211 HB1 PRO 211 -3.424 -3.028 3.859 295 HG2 PRO 211 HG2 PRO 211 -2.404 -3.093 1.407 296 HG3 PRO 211 HG1 PRO 211 -1.986 -4.354 2.587 297 HD2 PRO 211 HD2 PRO 211 -4.026 -4.473 0.387 298 HD3 PRO 211 HD1 PRO 211 -2.801 -5.634 0.799 299 HA PRO 212 HA PRO 212 -8.776 -3.355 3.885 300 HB2 PRO 212 HB2 PRO 212 -8.706 -2.775 6.545 301 HB3 PRO 212 HB1 PRO 212 -9.058 -4.399 5.939 302 HG2 PRO 212 HG2 PRO 212 -6.430 -3.287 6.901 303 HG3 PRO 212 HG1 PRO 212 -7.205 -4.823 7.337 304 HD2 PRO 212 HD2 PRO 212 -5.240 -4.622 5.554 305 HD3 PRO 212 HD1 PRO 212 -6.554 -5.779 5.328 306 H LEU 213 HN LEU 213 -9.176 -1.171 3.405 307 HA LEU 213 HA LEU 213 -7.059 0.747 3.871 308 HB2 LEU 213 HB2 LEU 213 -9.794 1.446 2.812 309 HB3 LEU 213 HB1 LEU 213 -8.288 2.398 2.682 310 HG LEU 213 HG LEU 213 -7.355 0.533 1.331 311 HD11 LEU 213 HD11 LEU 213 -8.945 -0.958 0.165 312 HD12 LEU 213 HD12 LEU 213 -10.248 -0.350 1.184 313 HD13 LEU 213 HD13 LEU 213 -8.918 -1.257 1.904 314 HD21 LEU 213 HD21 LEU 213 -8.488 1.250 -0.726 315 HD22 LEU 213 HD22 LEU 213 -8.126 2.612 0.338 316 HD23 LEU 213 HD23 LEU 213 -9.771 1.981 0.242 317 HA PRO 214 HA PRO 214 -7.995 2.088 7.813 318 HB2 PRO 214 HB2 PRO 214 -7.123 4.735 6.804 319 HB3 PRO 214 HB1 PRO 214 -6.472 3.759 8.124 320 HG2 PRO 214 HG2 PRO 214 -5.164 3.956 5.813 321 HG3 PRO 214 HG1 PRO 214 -5.225 2.422 6.697 322 HD2 PRO 214 HD2 PRO 214 -6.780 3.258 4.280 323 HD3 PRO 214 HD1 PRO 214 -6.046 1.695 4.636 324 H PHE 215 HN PHE 215 -9.653 3.368 5.120 325 HA PHE 215 HA PHE 215 -11.509 4.747 6.929 326 HB2 PHE 215 HB2 PHE 215 -12.222 6.108 4.950 327 HB3 PHE 215 HB1 PHE 215 -10.570 6.406 5.470 328 HD1 PHE 215 HD2 PHE 215 -8.705 5.227 4.179 329 HD2 PHE 215 HD1 PHE 215 -12.693 5.580 2.741 330 HE1 PHE 215 HE2 PHE 215 -7.908 4.825 1.892 331 HE2 PHE 215 HE1 PHE 215 -11.903 5.183 0.445 332 HZ PHE 215 HZ PHE 215 -9.506 4.805 0.017 Start of MODEL 19 1 H1 LEU 7 HT1 LEU 7 9.975 9.711 -0.852 2 H2 LEU 7 HT2 LEU 7 10.306 9.055 0.675 3 H3 LEU 7 HT3 LEU 7 9.167 10.298 0.518 4 HA LEU 7 HA LEU 7 8.157 8.139 0.853 5 HB2 LEU 7 HB2 LEU 7 7.654 9.462 -1.804 6 HB3 LEU 7 HB1 LEU 7 6.617 8.218 -1.138 7 HG LEU 7 HG LEU 7 7.172 10.837 0.254 8 HD11 LEU 7 HD11 LEU 7 4.830 10.050 -1.481 9 HD12 LEU 7 HD12 LEU 7 6.056 11.255 -1.876 10 HD13 LEU 7 HD13 LEU 7 4.955 11.528 -0.526 11 HD21 LEU 7 HD21 LEU 7 6.457 9.009 1.711 12 HD22 LEU 7 HD22 LEU 7 5.058 8.724 0.671 13 HD23 LEU 7 HD23 LEU 7 5.201 10.240 1.563 14 HA PRO 8 HA PRO 8 9.103 5.599 -3.321 15 HB2 PRO 8 HB2 PRO 8 11.721 6.355 -4.109 16 HB3 PRO 8 HB1 PRO 8 10.211 6.597 -4.994 17 HG2 PRO 8 HG2 PRO 8 11.663 8.461 -3.171 18 HG3 PRO 8 HG1 PRO 8 10.744 8.822 -4.647 19 HD2 PRO 8 HD2 PRO 8 9.724 9.373 -2.274 20 HD3 PRO 8 HD1 PRO 8 8.692 8.637 -3.524 21 HA PRO 9 HA PRO 9 13.345 4.019 -1.333 22 HB2 PRO 9 HB2 PRO 9 13.666 5.079 1.223 23 HB3 PRO 9 HB1 PRO 9 14.595 5.543 -0.206 24 HG2 PRO 9 HG2 PRO 9 12.178 6.849 0.986 25 HG3 PRO 9 HG1 PRO 9 13.648 7.602 0.333 26 HD2 PRO 9 HD2 PRO 9 11.424 7.570 -1.092 27 HD3 PRO 9 HD1 PRO 9 12.981 7.227 -1.878 28 H GLY 10 HN GLY 10 10.496 4.915 0.541 29 HA2 GLY 10 HA2 GLY 10 10.623 2.290 1.880 30 HA3 GLY 10 HA1 GLY 10 9.802 3.700 2.528 31 H TRP 11 HN TRP 11 8.491 4.498 0.159 32 HA TRP 11 HA TRP 11 6.271 2.632 0.348 33 HB2 TRP 11 HB2 TRP 11 6.453 5.409 -0.841 34 HB3 TRP 11 HB1 TRP 11 4.971 4.466 -0.738 35 HD1 TRP 11 HD1 TRP 11 7.570 6.154 1.597 36 HE1 TRP 11 HE1 TRP 11 6.400 6.800 3.785 37 HE3 TRP 11 HE3 TRP 11 3.002 4.038 0.715 38 HZ2 TRP 11 HZ2 TRP 11 3.879 6.447 4.987 39 HZ3 TRP 11 HZ3 TRP 11 1.269 4.231 2.446 40 HH2 TRP 11 HH2 TRP 11 1.699 5.411 4.538 41 H GLU 12 HN GLU 12 6.499 0.978 -1.012 42 HA GLU 12 HA GLU 12 7.218 1.433 -3.811 43 HB2 GLU 12 HB2 GLU 12 6.510 -1.132 -2.357 44 HB3 GLU 12 HB1 GLU 12 7.054 -1.019 -4.022 45 HG2 GLU 12 HG2 GLU 12 9.188 -0.022 -3.170 46 HG3 GLU 12 HG1 GLU 12 8.641 -0.434 -1.544 47 H LYS 13 HN LYS 13 5.731 1.263 -5.485 48 HA LYS 13 HA LYS 13 2.961 1.057 -4.638 49 HB2 LYS 13 HB2 LYS 13 4.132 1.684 -7.342 50 HB3 LYS 13 HB1 LYS 13 2.410 1.664 -6.966 51 HG2 LYS 13 HG2 LYS 13 3.096 3.327 -5.078 52 HG3 LYS 13 HG1 LYS 13 4.516 3.583 -6.097 53 HD2 LYS 13 HD2 LYS 13 2.803 5.200 -6.594 54 HD3 LYS 13 HD1 LYS 13 3.033 4.132 -7.980 55 HE2 LYS 13 HE2 LYS 13 1.088 2.788 -6.800 56 HE3 LYS 13 HE1 LYS 13 0.744 4.363 -6.093 57 HZ1 LYS 13 HZ1 LYS 13 0.862 3.720 -8.989 58 HZ2 LYS 13 HZ2 LYS 13 0.691 5.287 -8.364 59 HZ3 LYS 13 HZ3 LYS 13 -0.520 4.136 -8.094 60 H ARG 14 HN ARG 14 2.349 -0.828 -4.247 61 HA ARG 14 HA ARG 14 3.133 -3.093 -5.945 62 HB2 ARG 14 HB2 ARG 14 3.973 -3.198 -3.645 63 HB3 ARG 14 HB1 ARG 14 2.355 -2.976 -3.013 64 HG2 ARG 14 HG2 ARG 14 2.696 -5.246 -2.775 65 HG3 ARG 14 HG1 ARG 14 1.815 -5.158 -4.301 66 HD2 ARG 14 HD2 ARG 14 4.815 -5.329 -4.049 67 HD3 ARG 14 HD1 ARG 14 3.757 -6.704 -4.355 68 HE ARG 14 HE ARG 14 3.434 -4.593 -6.269 69 HH11 ARG 14 HH11 ARG 14 5.387 -7.366 -5.420 70 HH12 ARG 14 HH12 ARG 14 5.893 -7.666 -7.055 71 HH21 ARG 14 HH21 ARG 14 4.070 -5.011 -8.429 72 HH22 ARG 14 HH22 ARG 14 5.116 -6.354 -8.760 73 H MET 15 HN MET 15 1.451 -4.681 -6.387 74 HA MET 15 HA MET 15 -1.064 -3.295 -6.814 75 HB2 MET 15 HB2 MET 15 -0.061 -5.955 -7.849 76 HB3 MET 15 HB1 MET 15 -1.600 -5.230 -8.286 77 HG2 MET 15 HG2 MET 15 -0.098 -4.803 -10.057 78 HG3 MET 15 HG1 MET 15 -0.327 -3.282 -9.199 79 HE1 MET 15 HE1 MET 15 3.374 -3.004 -10.409 80 HE2 MET 15 HE2 MET 15 1.797 -2.219 -10.351 81 HE3 MET 15 HE3 MET 15 2.007 -3.711 -11.268 82 H SER 16 HN SER 16 -2.746 -3.570 -5.597 83 HA SER 16 HA SER 16 -2.711 -5.582 -3.509 84 HB2 SER 16 HB2 SER 16 -4.708 -4.286 -2.681 85 HB3 SER 16 HB1 SER 16 -3.218 -3.351 -2.790 86 HG SER 16 HG SER 16 -3.969 -2.353 -4.609 87 H ARG 17 HN ARG 17 -4.196 -7.137 -3.234 88 HA ARG 17 HA ARG 17 -5.079 -8.316 -5.639 89 HB2 ARG 17 HB2 ARG 17 -4.160 -9.479 -3.610 90 HB3 ARG 17 HB1 ARG 17 -5.699 -9.180 -2.826 91 HG2 ARG 17 HG2 ARG 17 -6.852 -10.472 -4.503 92 HG3 ARG 17 HG1 ARG 17 -5.335 -10.760 -5.357 93 HD2 ARG 17 HD2 ARG 17 -4.465 -11.969 -3.447 94 HD3 ARG 17 HD1 ARG 17 -5.932 -11.622 -2.533 95 HE ARG 17 HE ARG 17 -6.227 -13.089 -5.043 96 HH11 ARG 17 HH11 ARG 17 -6.226 -13.064 -1.550 97 HH12 ARG 17 HH12 ARG 17 -6.909 -14.655 -1.404 98 HH21 ARG 17 HH21 ARG 17 -7.167 -15.182 -4.871 99 HH22 ARG 17 HH22 ARG 17 -7.445 -15.855 -3.293 100 H SER 18 HN SER 18 -6.737 -6.400 -3.263 101 HA SER 18 HA SER 18 -9.284 -7.596 -3.611 102 HB2 SER 18 HB2 SER 18 -8.731 -6.394 -1.565 103 HB3 SER 18 HB1 SER 18 -8.542 -4.896 -2.473 104 HG SER 18 HG SER 18 -10.964 -6.352 -2.523 105 H SER 19 HN SER 19 -8.376 -4.242 -4.468 106 HA SER 19 HA SER 19 -10.481 -4.268 -6.464 107 HB2 SER 19 HB2 SER 19 -10.221 -2.364 -4.870 108 HB3 SER 19 HB1 SER 19 -8.687 -1.977 -5.647 109 HG SER 19 HG SER 19 -11.256 -1.481 -6.469 110 H GLY 20 HN GLY 20 -7.217 -5.016 -6.439 111 HA2 GLY 20 HA2 GLY 20 -5.654 -5.258 -8.124 112 HA3 GLY 20 HA1 GLY 20 -6.937 -4.909 -9.279 113 H ARG 21 HN ARG 21 -5.202 -3.188 -6.709 114 HA ARG 21 HA ARG 21 -4.943 -0.862 -8.504 115 HB2 ARG 21 HB2 ARG 21 -5.998 -0.813 -5.668 116 HB3 ARG 21 HB1 ARG 21 -5.574 0.618 -6.594 117 HG2 ARG 21 HG2 ARG 21 -7.709 -1.367 -7.338 118 HG3 ARG 21 HG1 ARG 21 -7.983 0.203 -6.582 119 HD2 ARG 21 HD2 ARG 21 -7.149 1.348 -8.508 120 HD3 ARG 21 HD1 ARG 21 -6.604 -0.162 -9.236 121 HE ARG 21 HE ARG 21 -9.224 -0.619 -8.994 122 HH11 ARG 21 HH11 ARG 21 -7.534 2.219 -10.161 123 HH12 ARG 21 HH12 ARG 21 -8.739 2.617 -11.345 124 HH21 ARG 21 HH21 ARG 21 -10.824 -0.103 -10.542 125 HH22 ARG 21 HH22 ARG 21 -10.623 1.303 -11.553 126 H VAL 22 HN VAL 22 -3.200 0.579 -7.970 127 HA VAL 22 HA VAL 22 -1.064 -0.858 -6.610 128 HB VAL 22 HB VAL 22 0.203 1.378 -7.375 129 HG11 VAL 22 HG11 VAL 22 -0.511 -0.930 -9.204 130 HG12 VAL 22 HG12 VAL 22 0.792 -0.913 -8.017 131 HG13 VAL 22 HG13 VAL 22 0.858 0.161 -9.413 132 HG21 VAL 22 HG21 VAL 22 -2.069 1.081 -9.352 133 HG22 VAL 22 HG22 VAL 22 -0.650 2.105 -9.566 134 HG23 VAL 22 HG23 VAL 22 -1.799 2.448 -8.273 135 H TYR 23 HN TYR 23 -1.343 -0.715 -4.562 136 HA TYR 23 HA TYR 23 -1.937 1.793 -3.229 137 HB2 TYR 23 HB2 TYR 23 -2.345 0.514 -1.269 138 HB3 TYR 23 HB1 TYR 23 -3.041 -0.416 -2.589 139 HD1 TYR 23 HD2 TYR 23 -1.630 -2.360 -3.520 140 HD2 TYR 23 HD1 TYR 23 -0.813 -0.465 0.197 141 HE1 TYR 23 HE2 TYR 23 -0.346 -4.330 -2.804 142 HE2 TYR 23 HE1 TYR 23 0.477 -2.431 0.918 143 HH TYR 23 HH TYR 23 0.578 -4.867 0.381 144 H TYR 24 HN TYR 24 -0.557 2.603 -1.554 145 HA TYR 24 HA TYR 24 2.225 2.301 -2.369 146 HB2 TYR 24 HB2 TYR 24 0.931 4.185 -0.368 147 HB3 TYR 24 HB1 TYR 24 2.607 4.245 -0.888 148 HD1 TYR 24 HD2 TYR 24 3.106 4.832 -3.278 149 HD2 TYR 24 HD1 TYR 24 -0.778 5.279 -1.601 150 HE1 TYR 24 HE2 TYR 24 2.544 6.446 -5.026 151 HE2 TYR 24 HE1 TYR 24 -1.359 6.885 -3.362 152 HH TYR 24 HH TYR 24 0.455 7.303 -6.158 153 H PHE 25 HN PHE 25 3.113 0.541 -1.400 154 HA PHE 25 HA PHE 25 2.464 -0.130 1.375 155 HB2 PHE 25 HB2 PHE 25 2.273 -2.034 -0.018 156 HB3 PHE 25 HB1 PHE 25 3.752 -1.649 -0.892 157 HD1 PHE 25 HD2 PHE 25 2.425 -2.920 2.336 158 HD2 PHE 25 HD1 PHE 25 5.833 -2.415 -0.166 159 HE1 PHE 25 HE2 PHE 25 3.743 -4.359 3.832 160 HE2 PHE 25 HE1 PHE 25 7.143 -3.857 1.319 161 HZ PHE 25 HZ PHE 25 6.117 -4.814 3.319 162 H ASN 26 HN ASN 26 3.780 0.543 2.946 163 HA ASN 26 HA ASN 26 6.562 1.191 2.217 164 HB2 ASN 26 HB2 ASN 26 5.304 3.182 2.788 165 HB3 ASN 26 HB1 ASN 26 4.768 2.450 4.297 166 HD21 ASN 26 HD21 ASN 26 5.648 4.306 5.327 167 HD22 ASN 26 HD22 ASN 26 7.345 4.425 5.625 168 H HIS 27 HN HIS 27 7.976 -0.216 3.014 169 HA HIS 27 HA HIS 27 7.138 -1.861 5.268 170 HB2 HIS 27 HB2 HIS 27 9.398 -3.075 4.664 171 HB3 HIS 27 HB1 HIS 27 7.924 -3.364 3.754 172 HD1 HIS 27 HD1 HIS 27 11.183 -1.422 3.493 173 HD2 HIS 27 HD2 HIS 27 8.083 -2.868 1.123 174 HE1 HIS 27 HE1 HIS 27 11.905 -1.018 1.112 175 HE2 HIS 27 HE2 HIS 27 10.090 -2.058 -0.307 176 H ILE 28 HN ILE 28 8.790 0.999 5.066 177 HA ILE 28 HA ILE 28 10.741 0.353 7.076 178 HB ILE 28 HB ILE 28 11.146 2.703 7.386 179 HG12 ILE 28 HG12 ILE 28 8.864 3.350 5.500 180 HG13 ILE 28 HG11 ILE 28 8.710 3.413 7.259 181 HG21 ILE 28 HG21 ILE 28 12.139 1.674 5.439 182 HG22 ILE 28 HG22 ILE 28 11.733 3.357 5.099 183 HG23 ILE 28 HG23 ILE 28 10.712 2.060 4.477 184 HD11 ILE 28 HD11 ILE 28 10.618 5.032 5.591 185 HD12 ILE 28 HD12 ILE 28 10.463 5.108 7.346 186 HD13 ILE 28 HD13 ILE 28 9.119 5.609 6.318 187 H THR 29 HN THR 29 7.530 1.845 7.097 188 HA THR 29 HA THR 29 7.292 1.391 9.958 189 HB THR 29 HB THR 29 6.306 3.437 9.042 190 HG1 THR 29 HG1 THR 29 4.783 1.493 10.324 191 HG21 THR 29 HG21 THR 29 4.506 1.588 7.478 192 HG22 THR 29 HG22 THR 29 5.744 2.649 6.807 193 HG23 THR 29 HG23 THR 29 4.326 3.339 7.595 194 H ASN 30 HN ASN 30 6.819 -0.290 7.088 195 HA ASN 30 HA ASN 30 6.013 -2.342 6.538 196 HB2 ASN 30 HB2 ASN 30 6.946 -2.876 8.893 197 HB3 ASN 30 HB1 ASN 30 5.268 -2.832 9.420 198 HD21 ASN 30 HD21 ASN 30 3.873 -4.475 8.779 199 HD22 ASN 30 HD22 ASN 30 4.441 -5.938 8.055 200 H ALA 31 HN ALA 31 4.302 0.131 6.976 201 HA ALA 31 HA ALA 31 1.671 -1.109 7.327 202 HB1 ALA 31 HB1 ALA 31 0.798 1.159 7.494 203 HB2 ALA 31 HB2 ALA 31 2.400 1.813 7.152 204 HB3 ALA 31 HB3 ALA 31 2.116 0.910 8.640 205 H SER 32 HN SER 32 0.048 -0.892 5.788 206 HA SER 32 HA SER 32 1.007 -0.319 3.067 207 HB2 SER 32 HB2 SER 32 -0.831 -1.994 2.430 208 HB3 SER 32 HB1 SER 32 0.608 -2.652 3.211 209 HG SER 32 HG SER 32 -1.720 -1.913 4.645 210 H GLN 33 HN GLN 33 0.073 1.406 2.147 211 HA GLN 33 HA GLN 33 -2.568 2.241 3.160 212 HB2 GLN 33 HB2 GLN 33 -0.241 3.919 2.214 213 HB3 GLN 33 HB1 GLN 33 -1.840 4.562 2.558 214 HG2 GLN 33 HG2 GLN 33 -0.303 3.036 4.624 215 HG3 GLN 33 HG1 GLN 33 -0.027 4.756 4.355 216 HE21 GLN 33 HE21 GLN 33 -2.776 5.325 3.693 217 HE22 GLN 33 HE22 GLN 33 -3.664 5.251 5.175 218 H TRP 34 HN TRP 34 -4.033 1.675 1.639 219 HA TRP 34 HA TRP 34 -3.612 1.819 -1.183 220 HB2 TRP 34 HB2 TRP 34 -6.151 1.899 0.459 221 HB3 TRP 34 HB1 TRP 34 -6.133 1.845 -1.295 222 HD1 TRP 34 HD1 TRP 34 -4.374 -0.298 1.411 223 HE1 TRP 34 HE1 TRP 34 -4.847 -2.757 0.867 224 HE3 TRP 34 HE3 TRP 34 -7.245 0.299 -2.782 225 HZ2 TRP 34 HZ2 TRP 34 -6.227 -4.240 -1.041 226 HZ3 TRP 34 HZ3 TRP 34 -8.101 -1.721 -3.907 227 HH2 TRP 34 HH2 TRP 34 -7.581 -3.962 -3.041 228 H GLU 35 HN GLU 35 -4.819 3.908 1.287 229 HA GLU 35 HA GLU 35 -5.527 5.995 -0.582 230 HB2 GLU 35 HB2 GLU 35 -6.696 6.958 1.211 231 HB3 GLU 35 HB1 GLU 35 -6.863 5.208 1.512 232 HG2 GLU 35 HG2 GLU 35 -5.280 5.280 3.252 233 HG3 GLU 35 HG1 GLU 35 -4.726 6.899 2.814 234 H ARG 36 HN ARG 36 -4.607 8.275 -0.062 235 HA ARG 36 HA ARG 36 -1.869 7.853 -0.683 236 HB2 ARG 36 HB2 ARG 36 -3.416 10.410 -0.352 237 HB3 ARG 36 HB1 ARG 36 -1.781 10.306 -0.989 238 HG2 ARG 36 HG2 ARG 36 -2.621 8.870 -2.812 239 HG3 ARG 36 HG1 ARG 36 -4.260 9.107 -2.204 240 HD2 ARG 36 HD2 ARG 36 -3.993 10.680 -3.939 241 HD3 ARG 36 HD1 ARG 36 -3.835 11.595 -2.441 242 HE ARG 36 HE ARG 36 -1.514 10.708 -4.031 243 HH11 ARG 36 HH11 ARG 36 -3.155 13.115 -2.083 244 HH12 ARG 36 HH12 ARG 36 -1.927 14.319 -2.321 245 HH21 ARG 36 HH21 ARG 36 0.106 12.276 -4.334 246 HH22 ARG 36 HH22 ARG 36 -0.068 13.847 -3.606 247 HA PRO 37 HA PRO 37 0.056 8.241 3.280 248 HB2 PRO 37 HB2 PRO 37 2.392 9.290 1.828 249 HB3 PRO 37 HB1 PRO 37 2.253 7.836 2.818 250 HG2 PRO 37 HG2 PRO 37 2.461 7.740 0.135 251 HG3 PRO 37 HG1 PRO 37 1.530 6.550 1.061 252 HD2 PRO 37 HD2 PRO 37 0.581 8.846 -0.583 253 HD3 PRO 37 HD1 PRO 37 -0.137 7.242 -0.344 254 H SER 38 HN SER 38 0.108 10.881 0.975 255 HA SER 38 HA SER 38 0.806 12.764 3.115 256 HB2 SER 38 HB2 SER 38 1.273 14.296 1.105 257 HB3 SER 38 HB1 SER 38 2.377 12.942 1.363 258 HG SER 38 HG SER 38 1.060 13.480 -0.821 259 H GLY 39 HN GLY 39 -1.906 11.580 1.870 260 HA2 GLY 39 HA2 GLY 39 -4.076 12.373 2.025 261 HA3 GLY 39 HA1 GLY 39 -3.434 13.948 2.470 262 H1 ARG 208 HT1 ARG 208 -3.706 -14.104 -0.228 263 H2 ARG 208 HT2 ARG 208 -3.965 -12.445 0.027 264 H3 ARG 208 HT3 ARG 208 -3.923 -13.508 1.346 265 HA ARG 208 HA ARG 208 -1.597 -13.994 0.898 266 HB2 ARG 208 HB2 ARG 208 -1.885 -11.772 -1.145 267 HB3 ARG 208 HB1 ARG 208 -0.384 -12.566 -0.699 268 HG2 ARG 208 HG2 ARG 208 -2.730 -13.888 -2.035 269 HG3 ARG 208 HG1 ARG 208 -1.243 -13.371 -2.831 270 HD2 ARG 208 HD2 ARG 208 0.030 -14.907 -1.376 271 HD3 ARG 208 HD1 ARG 208 -1.488 -15.457 -0.664 272 HE ARG 208 HE ARG 208 -1.860 -15.841 -3.325 273 HH11 ARG 208 HH11 ARG 208 0.600 -16.843 -1.037 274 HH12 ARG 208 HH12 ARG 208 1.020 -18.278 -1.928 275 HH21 ARG 208 HH21 ARG 208 -1.328 -17.722 -4.481 276 HH22 ARG 208 HH22 ARG 208 -0.085 -18.784 -3.892 277 H ILE 209 HN ILE 209 -0.565 -11.006 0.317 278 HA ILE 209 HA ILE 209 -1.590 -9.924 2.849 279 HB ILE 209 HB ILE 209 0.775 -8.787 1.337 280 HG12 ILE 209 HG12 ILE 209 2.031 -9.885 3.396 281 HG13 ILE 209 HG11 ILE 209 0.695 -11.028 3.323 282 HG21 ILE 209 HG21 ILE 209 -0.317 -7.277 2.873 283 HG22 ILE 209 HG22 ILE 209 1.271 -7.733 3.492 284 HG23 ILE 209 HG23 ILE 209 -0.183 -8.462 4.173 285 HD11 ILE 209 HD11 ILE 209 1.262 -11.538 1.008 286 HD12 ILE 209 HD12 ILE 209 2.621 -11.837 2.092 287 HD13 ILE 209 HD13 ILE 209 2.598 -10.389 1.083 288 H SEP 210 HN SEP 210 -3.585 -9.296 1.829 289 HA SEP 210 HA SEP 210 -3.093 -6.731 0.549 290 HB2 SEP 210 HB2 SEP 210 -5.180 -6.717 -0.492 291 HB3 SEP 210 HB1 SEP 210 -4.117 -7.934 -1.184 292 HA PRO 211 HA PRO 211 -4.783 -4.832 4.004 293 HB2 PRO 211 HB2 PRO 211 -4.553 -2.556 2.213 294 HB3 PRO 211 HB1 PRO 211 -3.588 -2.915 3.654 295 HG2 PRO 211 HG2 PRO 211 -2.545 -2.948 1.181 296 HG3 PRO 211 HG1 PRO 211 -2.039 -4.132 2.408 297 HD2 PRO 211 HD2 PRO 211 -4.027 -4.500 0.195 298 HD3 PRO 211 HD1 PRO 211 -2.746 -5.533 0.674 299 HA PRO 212 HA PRO 212 -8.900 -3.339 3.228 300 HB2 PRO 212 HB2 PRO 212 -9.057 -2.598 5.841 301 HB3 PRO 212 HB1 PRO 212 -9.348 -4.263 5.319 302 HG2 PRO 212 HG2 PRO 212 -6.820 -3.061 6.426 303 HG3 PRO 212 HG1 PRO 212 -7.618 -4.576 6.890 304 HD2 PRO 212 HD2 PRO 212 -5.507 -4.447 5.263 305 HD3 PRO 212 HD1 PRO 212 -6.776 -5.652 5.020 306 H LEU 213 HN LEU 213 -9.335 -1.145 2.746 307 HA LEU 213 HA LEU 213 -7.150 0.727 3.013 308 HB2 LEU 213 HB2 LEU 213 -9.959 1.437 2.146 309 HB3 LEU 213 HB1 LEU 213 -8.465 2.375 1.874 310 HG LEU 213 HG LEU 213 -7.659 0.367 0.546 311 HD11 LEU 213 HD11 LEU 213 -9.392 -1.032 -0.492 312 HD12 LEU 213 HD12 LEU 213 -10.607 -0.295 0.550 313 HD13 LEU 213 HD13 LEU 213 -9.319 -1.272 1.252 314 HD21 LEU 213 HD21 LEU 213 -8.781 1.107 -1.480 315 HD22 LEU 213 HD22 LEU 213 -8.321 2.480 -0.469 316 HD23 LEU 213 HD23 LEU 213 -10.002 1.942 -0.516 317 HA PRO 214 HA PRO 214 -7.515 2.105 6.980 318 HB2 PRO 214 HB2 PRO 214 -6.913 4.794 5.899 319 HB3 PRO 214 HB1 PRO 214 -6.022 3.820 7.070 320 HG2 PRO 214 HG2 PRO 214 -5.158 4.120 4.544 321 HG3 PRO 214 HG1 PRO 214 -4.935 2.607 5.434 322 HD2 PRO 214 HD2 PRO 214 -6.879 3.251 3.275 323 HD3 PRO 214 HD1 PRO 214 -6.059 1.728 3.617 324 H PHE 215 HN PHE 215 -9.649 3.362 4.636 325 HA PHE 215 HA PHE 215 -11.030 5.292 6.172 326 HB2 PHE 215 HB2 PHE 215 -12.135 3.546 3.958 327 HB3 PHE 215 HB1 PHE 215 -12.820 5.059 4.539 328 HD1 PHE 215 HD1 PHE 215 -9.938 3.571 2.803 329 HD2 PHE 215 HD2 PHE 215 -12.084 7.132 3.688 330 HE1 PHE 215 HE1 PHE 215 -8.600 4.776 1.138 331 HE2 PHE 215 HE2 PHE 215 -10.753 8.352 2.015 332 HZ PHE 215 HZ PHE 215 -9.010 7.173 0.734
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