NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15262 | 1xv3 | 6388 | cing | 1-original | 4 | MR format | nomenclature mapping |
Start of MODEL 1 1 1H HIS 1 HT1 HIS 1 17.834 17.048 4.867 2 2H HIS 1 HT2 HIS 1 16.450 18.025 4.738 3 3H HIS 1 HT3 HIS 1 17.656 18.400 5.875 4 HA HIS 1 HA HIS 1 17.931 18.530 2.911 5 1HB HIS 1 HB2 HIS 1 16.552 20.236 4.286 6 2HB HIS 1 HB1 HIS 1 18.097 20.730 4.980 7 HD1 HIS 1 HD1 HIS 1 16.262 20.568 1.675 8 HD2 HIS 1 HD2 HIS 1 19.725 22.258 3.268 9 HE1 HIS 1 HE1 HIS 1 17.173 22.136 -0.093 10 H SER 2 HN SER 2 20.051 19.048 2.188 11 HA SER 2 HA SER 2 22.405 18.925 2.221 12 1HB SER 2 HB2 SER 2 21.686 21.026 3.592 13 2HB SER 2 HB1 SER 2 22.176 20.086 4.999 14 HG SER 2 HG SER 2 24.223 20.133 4.334 15 H SER 3 HN SER 3 21.770 16.472 2.568 16 HA SER 3 HA SER 3 22.450 15.375 5.214 17 1HB SER 3 HB2 SER 3 21.668 14.272 2.511 18 2HB SER 3 HB1 SER 3 22.140 13.210 3.835 19 HG SER 3 HG SER 3 19.783 14.104 3.439 20 H GLY 4 HN GLY 4 24.195 13.717 5.408 21 1HA GLY 4 HA2 GLY 4 26.661 14.642 4.116 22 2HA GLY 4 HA1 GLY 4 26.553 13.432 5.393 23 H TYR 5 HN TYR 5 26.186 11.237 4.817 24 HA TYR 5 HA TYR 5 25.783 10.482 2.002 25 1HB TYR 5 HB2 TYR 5 28.310 11.145 2.699 26 2HB TYR 5 HB1 TYR 5 28.318 9.449 3.181 27 HD1 TYR 5 HD1 TYR 5 27.911 7.663 1.525 28 HD2 TYR 5 HD2 TYR 5 28.125 11.796 0.373 29 HE1 TYR 5 HE1 TYR 5 28.165 6.989 -0.846 30 HE2 TYR 5 HE2 TYR 5 28.379 11.122 -1.999 31 HH TYR 5 HH TYR 5 29.282 8.948 -3.206 32 H THR 6 HN THR 6 24.802 8.482 1.943 33 HA THR 6 HA THR 6 25.242 6.538 4.152 34 HB THR 6 HB THR 6 22.622 7.854 3.374 35 HG1 THR 6 HG1 THR 6 22.936 8.836 5.185 36 1HG2 THR 6 HG21 THR 6 21.679 6.229 5.141 37 2HG2 THR 6 HG22 THR 6 23.138 5.279 4.861 38 3HG2 THR 6 HG23 THR 6 22.009 5.574 3.538 39 H ARG 7 HN ARG 7 25.263 4.453 3.327 40 HA ARG 7 HA ARG 7 23.766 3.814 0.859 41 1HB ARG 7 HB2 ARG 7 26.333 4.758 0.688 42 2HB ARG 7 HB1 ARG 7 26.612 3.019 0.769 43 1HG ARG 7 HG2 ARG 7 26.350 3.457 -1.544 44 2HG ARG 7 HG1 ARG 7 24.781 2.826 -1.041 45 1HD ARG 7 HD2 ARG 7 23.727 4.816 -1.434 46 2HD ARG 7 HD1 ARG 7 25.066 5.761 -0.753 47 HE ARG 7 HE ARG 7 25.026 4.639 -3.526 48 1HH1 ARG 7 HH21 ARG 7 24.842 7.582 -3.157 49 2HH1 ARG 7 HH22 ARG 7 26.491 8.091 -3.314 50 1HH2 ARG 7 HH11 ARG 7 27.792 4.903 -2.833 51 2HH2 ARG 7 HH12 ARG 7 28.165 6.569 -3.130 52 HA PRO 8 HA PRO 8 24.174 0.353 3.939 53 1HB PRO 8 HB2 PRO 8 21.493 -0.045 4.295 54 2HB PRO 8 HB1 PRO 8 22.431 1.116 5.255 55 1HG PRO 8 HG2 PRO 8 20.593 1.594 2.975 56 2HG PRO 8 HG1 PRO 8 20.888 2.578 4.415 57 1HD PRO 8 HD2 PRO 8 21.929 3.105 1.917 58 2HD PRO 8 HD1 PRO 8 22.617 3.693 3.444 59 H LEU 9 HN LEU 9 23.476 -1.907 3.583 60 HA LEU 9 HA LEU 9 23.555 -2.755 0.859 61 1HB LEU 9 HB2 LEU 9 22.711 -4.062 3.459 62 2HB LEU 9 HB1 LEU 9 22.816 -4.960 1.945 63 HG LEU 9 HG LEU 9 25.156 -3.291 2.810 64 1HD1 LEU 9 HD11 LEU 9 26.045 -5.208 4.078 65 2HD1 LEU 9 HD12 LEU 9 24.540 -6.089 3.811 66 3HD1 LEU 9 HD13 LEU 9 24.543 -4.627 4.798 67 1HD2 LEU 9 HD21 LEU 9 24.936 -5.970 1.401 68 2HD2 LEU 9 HD22 LEU 9 26.387 -4.980 1.558 69 3HD2 LEU 9 HD23 LEU 9 25.039 -4.417 0.571 70 H ARG 10 HN ARG 10 21.886 -3.430 -0.564 71 HA ARG 10 HA ARG 10 19.069 -3.098 0.368 72 1HB ARG 10 HB2 ARG 10 20.292 -1.106 -0.883 73 2HB ARG 10 HB1 ARG 10 19.935 -2.073 -2.314 74 1HG ARG 10 HG2 ARG 10 17.524 -2.207 -1.215 75 2HG ARG 10 HG1 ARG 10 18.049 -0.723 -0.419 76 1HD ARG 10 HD2 ARG 10 18.580 0.274 -2.630 77 2HD ARG 10 HD1 ARG 10 18.010 -1.211 -3.421 78 HE ARG 10 HE ARG 10 15.782 -0.772 -2.286 79 1HH1 ARG 10 HH21 ARG 10 17.150 1.599 -0.752 80 2HH1 ARG 10 HH22 ARG 10 16.405 2.937 -1.560 81 1HH2 ARG 10 HH11 ARG 10 15.219 1.017 -4.205 82 2HH2 ARG 10 HH12 ARG 10 15.309 2.607 -3.523 83 H LYS 11 HN LYS 11 17.685 -4.626 -0.485 84 HA LYS 11 HA LYS 11 18.767 -6.879 -1.965 85 1HB LYS 11 HB2 LYS 11 16.236 -6.029 -0.661 86 2HB LYS 11 HB1 LYS 11 16.065 -7.210 -1.959 87 1HG LYS 11 HG2 LYS 11 17.020 -8.866 -0.736 88 2HG LYS 11 HG1 LYS 11 18.283 -7.801 -0.118 89 1HD LYS 11 HD2 LYS 11 17.024 -8.350 1.802 90 2HD LYS 11 HD1 LYS 11 16.416 -6.760 1.342 91 1HE LYS 11 HE2 LYS 11 14.338 -7.578 0.897 92 2HE LYS 11 HE1 LYS 11 14.993 -8.964 0.004 93 1HZ LYS 11 HZ1 LYS 11 15.080 -8.704 2.965 94 2HZ LYS 11 HZ2 LYS 11 15.522 -10.062 2.042 95 3HZ LYS 11 HZ3 LYS 11 13.895 -9.584 2.130 96 HA PRO 12 HA PRO 12 17.716 -5.610 -6.044 97 1HB PRO 12 HB2 PRO 12 17.088 -8.002 -7.213 98 2HB PRO 12 HB1 PRO 12 18.744 -7.550 -6.766 99 1HG PRO 12 HG2 PRO 12 16.862 -9.395 -5.424 100 2HG PRO 12 HG1 PRO 12 18.627 -9.450 -5.521 101 1HD PRO 12 HD2 PRO 12 17.151 -8.583 -3.330 102 2HD PRO 12 HD1 PRO 12 18.870 -8.247 -3.616 103 H SER 13 HN SER 13 15.842 -6.518 -7.830 104 HA SER 13 HA SER 13 13.396 -5.322 -7.019 105 1HB SER 13 HB2 SER 13 14.182 -7.266 -9.198 106 2HB SER 13 HB1 SER 13 12.554 -6.604 -9.086 107 HG SER 13 HG SER 13 13.845 -5.309 -10.418 108 H ARG 14 HN ARG 14 11.736 -6.106 -5.787 109 HA ARG 14 HA ARG 14 11.849 -8.819 -4.702 110 1HB ARG 14 HB2 ARG 14 10.035 -6.415 -4.425 111 2HB ARG 14 HB1 ARG 14 9.669 -7.941 -3.621 112 1HG ARG 14 HG2 ARG 14 12.381 -6.656 -3.333 113 2HG ARG 14 HG1 ARG 14 11.035 -6.172 -2.303 114 1HD ARG 14 HD2 ARG 14 11.274 -8.028 -1.025 115 2HD ARG 14 HD1 ARG 14 11.224 -9.076 -2.455 116 HE ARG 14 HE ARG 14 13.691 -7.764 -1.394 117 1HH1 ARG 14 HH21 ARG 14 13.476 -10.722 -1.284 118 2HH1 ARG 14 HH22 ARG 14 14.287 -11.221 -2.731 119 1HH2 ARG 14 HH11 ARG 14 14.154 -8.073 -4.201 120 2HH2 ARG 14 HH12 ARG 14 14.677 -9.714 -4.386 121 HA PRO 15 HA PRO 15 9.120 -10.711 -7.603 122 1HB PRO 15 HB2 PRO 15 7.986 -12.632 -6.018 123 2HB PRO 15 HB1 PRO 15 9.655 -12.730 -6.611 124 1HG PRO 15 HG2 PRO 15 8.641 -11.921 -3.935 125 2HG PRO 15 HG1 PRO 15 10.084 -12.854 -4.362 126 1HD PRO 15 HD2 PRO 15 10.130 -10.211 -3.667 127 2HD PRO 15 HD1 PRO 15 11.348 -10.985 -4.704 128 H ILE 16 HN ILE 16 6.816 -10.975 -8.068 129 HA ILE 16 HA ILE 16 5.160 -8.872 -6.964 130 HB ILE 16 HB ILE 16 3.487 -9.774 -8.522 131 1HG1 ILE 16 HG12 ILE 16 4.742 -11.888 -9.818 132 2HG1 ILE 16 HG11 ILE 16 5.053 -12.219 -8.115 133 1HG2 ILE 16 HG21 ILE 16 5.704 -8.573 -9.268 134 2HG2 ILE 16 HG22 ILE 16 4.653 -9.299 -10.484 135 3HG2 ILE 16 HG23 ILE 16 6.103 -10.150 -9.950 136 1HD1 ILE 16 HD11 ILE 16 2.367 -11.795 -9.447 137 2HD1 ILE 16 HD12 ILE 16 2.582 -11.822 -7.697 138 3HD1 ILE 16 HD13 ILE 16 2.952 -13.257 -8.653 139 H PHE 17 HN PHE 17 2.946 -9.317 -6.046 140 HA PHE 17 HA PHE 17 2.447 -11.871 -4.711 141 1HB PHE 17 HB2 PHE 17 4.283 -10.644 -3.408 142 2HB PHE 17 HB1 PHE 17 3.060 -9.441 -3.005 143 HD1 PHE 17 HD1 PHE 17 1.648 -9.775 -1.158 144 HD2 PHE 17 HD2 PHE 17 3.702 -13.132 -2.884 145 HE1 PHE 17 HE1 PHE 17 0.834 -11.220 0.684 146 HE2 PHE 17 HE2 PHE 17 2.886 -14.577 -1.040 147 HZ PHE 17 HZ PHE 17 1.453 -13.621 0.744 148 H ILE 18 HN ILE 18 0.395 -11.740 -3.413 149 HA ILE 18 HA ILE 18 -1.640 -10.192 -4.759 150 HB ILE 18 HB ILE 18 -3.126 -11.243 -3.128 151 1HG1 ILE 18 HG12 ILE 18 -0.582 -11.978 -1.643 152 2HG1 ILE 18 HG11 ILE 18 -1.772 -10.793 -1.112 153 1HG2 ILE 18 HG21 ILE 18 -1.794 -12.605 -4.945 154 2HG2 ILE 18 HG22 ILE 18 -2.755 -13.460 -3.738 155 3HG2 ILE 18 HG23 ILE 18 -1.007 -13.329 -3.542 156 1HD1 ILE 18 HD11 ILE 18 -3.496 -12.678 -1.222 157 2HD1 ILE 18 HD12 ILE 18 -2.297 -12.801 0.067 158 3HD1 ILE 18 HD13 ILE 18 -2.131 -13.783 -1.389 159 H ARG 19 HN ARG 19 -3.162 -8.729 -3.474 160 HA ARG 19 HA ARG 19 -1.563 -6.695 -2.069 161 1HB ARG 19 HB2 ARG 19 -3.411 -5.272 -2.553 162 2HB ARG 19 HB1 ARG 19 -3.291 -6.340 -3.948 163 1HG ARG 19 HG2 ARG 19 -5.278 -7.369 -3.493 164 2HG ARG 19 HG1 ARG 19 -5.008 -7.346 -1.754 165 1HD ARG 19 HD2 ARG 19 -6.331 -5.523 -1.548 166 2HD ARG 19 HD1 ARG 19 -5.333 -4.635 -2.719 167 HE ARG 19 HE ARG 19 -7.408 -6.598 -3.626 168 1HH1 ARG 19 HH21 ARG 19 -5.265 -4.463 -4.907 169 2HH1 ARG 19 HH22 ARG 19 -6.419 -3.470 -5.732 170 1HH2 ARG 19 HH11 ARG 19 -9.167 -4.927 -4.179 171 2HH2 ARG 19 HH12 ARG 19 -8.638 -3.739 -5.322 172 HA PRO 20 HA PRO 20 -2.930 -7.639 1.993 173 1HB PRO 20 HB2 PRO 20 -3.399 -5.149 3.043 174 2HB PRO 20 HB1 PRO 20 -1.770 -5.798 2.756 175 1HG PRO 20 HG2 PRO 20 -3.354 -3.869 1.141 176 2HG PRO 20 HG1 PRO 20 -1.617 -3.905 1.473 177 1HD PRO 20 HD2 PRO 20 -2.716 -4.741 -0.877 178 2HD PRO 20 HD1 PRO 20 -1.190 -5.367 -0.229 179 H ILE 21 HN ILE 21 -4.786 -7.311 3.552 180 HA ILE 21 HA ILE 21 -7.329 -7.610 2.212 181 HB ILE 21 HB ILE 21 -6.161 -7.715 4.948 182 1HG1 ILE 21 HG12 ILE 21 -6.461 -9.665 3.394 183 2HG1 ILE 21 HG11 ILE 21 -7.235 -9.870 4.960 184 1HG2 ILE 21 HG21 ILE 21 -9.150 -7.403 4.527 185 2HG2 ILE 21 HG22 ILE 21 -8.103 -6.250 5.354 186 3HG2 ILE 21 HG23 ILE 21 -8.367 -7.852 6.041 187 1HD1 ILE 21 HD11 ILE 21 -8.475 -10.197 2.502 188 2HD1 ILE 21 HD12 ILE 21 -8.993 -8.587 3.002 189 3HD1 ILE 21 HD13 ILE 21 -9.301 -9.975 4.044 190 H GLY 22 HN GLY 22 -9.254 -6.302 2.837 191 1HA GLY 22 HA2 GLY 22 -10.174 -4.184 3.699 192 2HA GLY 22 HA1 GLY 22 -8.616 -3.436 3.362 193 H CYS 23 HN CYS 23 -7.964 -3.818 0.912 194 HA CYS 23 HA CYS 23 -9.919 -2.418 -0.704 195 1HB CYS 23 HB2 CYS 23 -7.266 -3.758 -1.155 196 2HB CYS 23 HB1 CYS 23 -8.151 -3.070 -2.503 197 H ASP 24 HN ASP 24 -9.146 -5.797 -0.212 198 HA ASP 24 HA ASP 24 -10.483 -6.793 -2.600 199 1HB ASP 24 HB2 ASP 24 -9.490 -7.999 -0.004 200 2HB ASP 24 HB1 ASP 24 -10.185 -8.970 -1.296 201 H VAL 25 HN VAL 25 -11.825 -5.276 0.041 202 HA VAL 25 HA VAL 25 -14.390 -6.726 -0.284 203 HB VAL 25 HB VAL 25 -13.241 -5.937 2.413 204 1HG1 VAL 25 HG11 VAL 25 -15.201 -8.146 2.016 205 2HG1 VAL 25 HG12 VAL 25 -15.790 -6.502 1.770 206 3HG1 VAL 25 HG13 VAL 25 -15.086 -6.964 3.320 207 1HG2 VAL 25 HG21 VAL 25 -11.702 -7.592 1.655 208 2HG2 VAL 25 HG22 VAL 25 -12.976 -8.534 0.881 209 3HG2 VAL 25 HG23 VAL 25 -12.866 -8.479 2.640 210 H CYS 26 HN CYS 26 -14.438 -4.571 -1.594 211 HA CYS 26 HA CYS 26 -14.465 -1.989 -0.518 212 1HB CYS 26 HB2 CYS 26 -16.055 -3.398 -2.656 213 2HB CYS 26 HB1 CYS 26 -16.354 -1.698 -2.313 214 H TYR 27 HN TYR 27 -16.821 -4.550 -0.045 215 HA TYR 27 HA TYR 27 -18.644 -2.650 1.367 216 1HB TYR 27 HB2 TYR 27 -19.226 -5.520 0.628 217 2HB TYR 27 HB1 TYR 27 -20.370 -4.208 0.885 218 HD1 TYR 27 HD1 TYR 27 -18.393 -5.993 -1.531 219 HD2 TYR 27 HD2 TYR 27 -20.358 -2.247 -0.784 220 HE1 TYR 27 HE1 TYR 27 -18.351 -5.488 -3.957 221 HE2 TYR 27 HE2 TYR 27 -20.316 -1.741 -3.211 222 HH TYR 27 HH TYR 27 -20.196 -3.076 -5.369 223 H GLY 28 HN GLY 28 -18.577 -2.707 3.572 224 1HA GLY 28 HA2 GLY 28 -18.829 -4.115 5.605 225 2HA GLY 28 HA1 GLY 28 -17.669 -5.232 4.893 226 H ILE 29 HN ILE 29 -15.949 -2.962 3.931 227 HA ILE 29 HA ILE 29 -14.357 -2.687 6.360 228 HB ILE 29 HB ILE 29 -12.792 -1.530 4.859 229 1HG1 ILE 29 HG12 ILE 29 -15.003 -1.691 2.782 230 2HG1 ILE 29 HG11 ILE 29 -14.518 -0.217 3.621 231 1HG2 ILE 29 HG21 ILE 29 -12.642 -3.321 3.066 232 2HG2 ILE 29 HG22 ILE 29 -14.147 -3.978 3.709 233 3HG2 ILE 29 HG23 ILE 29 -12.706 -3.917 4.724 234 1HD1 ILE 29 HD11 ILE 29 -12.101 -1.061 2.730 235 2HD1 ILE 29 HD12 ILE 29 -13.142 0.026 1.812 236 3HD1 ILE 29 HD13 ILE 29 -13.136 -1.700 1.454 237 HA PRO 30 HA PRO 30 -15.736 1.238 7.702 238 1HB PRO 30 HB2 PRO 30 -13.403 2.387 8.574 239 2HB PRO 30 HB1 PRO 30 -14.257 1.102 9.451 240 1HG PRO 30 HG2 PRO 30 -11.824 0.955 7.783 241 2HG PRO 30 HG1 PRO 30 -12.286 -0.002 9.191 242 1HD PRO 30 HD2 PRO 30 -12.445 -0.860 6.561 243 2HD PRO 30 HD1 PRO 30 -13.332 -1.570 7.922 244 H SER 31 HN SER 31 -15.811 3.487 7.156 245 HA SER 31 HA SER 31 -15.412 4.169 4.438 246 1HB SER 31 HB2 SER 31 -16.837 5.202 6.373 247 2HB SER 31 HB1 SER 31 -15.409 6.185 6.679 248 HG SER 31 HG SER 31 -17.224 6.760 4.999 249 H SER 32 HN SER 32 -13.337 4.873 7.273 250 HA SER 32 HA SER 32 -11.434 6.532 5.942 251 1HB SER 32 HB2 SER 32 -11.825 5.925 8.458 252 2HB SER 32 HB1 SER 32 -10.740 4.576 8.133 253 HG SER 32 HG SER 32 -9.604 6.421 8.858 254 H THR 33 HN THR 33 -11.451 2.979 6.433 255 HA THR 33 HA THR 33 -8.965 2.520 5.022 256 HB THR 33 HB THR 33 -11.379 0.758 5.565 257 HG1 THR 33 HG1 THR 33 -8.891 1.012 6.915 258 1HG2 THR 33 HG21 THR 33 -8.762 0.249 4.261 259 2HG2 THR 33 HG22 THR 33 -10.301 -0.590 4.066 260 3HG2 THR 33 HG23 THR 33 -9.273 -0.944 5.455 261 H ALA 34 HN ALA 34 -12.396 2.516 4.080 262 HA ALA 34 HA ALA 34 -12.111 1.622 1.397 263 1HB ALA 34 HB1 ALA 34 -14.056 3.610 2.619 264 2HB ALA 34 HB2 ALA 34 -14.236 1.856 2.653 265 3HB ALA 34 HB3 ALA 34 -14.314 2.720 1.118 266 H ARG 35 HN ARG 35 -11.930 4.931 2.769 267 HA ARG 35 HA ARG 35 -11.590 6.314 0.271 268 1HB ARG 35 HB2 ARG 35 -10.700 6.901 3.118 269 2HB ARG 35 HB1 ARG 35 -10.539 8.058 1.800 270 1HG ARG 35 HG2 ARG 35 -12.793 8.458 1.679 271 2HG ARG 35 HG1 ARG 35 -13.219 6.812 2.144 272 1HD ARG 35 HD2 ARG 35 -13.750 7.767 4.158 273 2HD ARG 35 HD1 ARG 35 -11.998 7.737 4.437 274 HE ARG 35 HE ARG 35 -13.554 10.100 3.508 275 1HH1 ARG 35 HH11 ARG 35 -11.423 9.393 5.834 276 2HH1 ARG 35 HH12 ARG 35 -10.191 10.524 5.387 277 1HH2 ARG 35 HH21 ARG 35 -11.599 11.234 2.288 278 2HH2 ARG 35 HH22 ARG 35 -10.293 11.574 3.374 279 H LEU 36 HN LEU 36 -9.249 4.936 2.576 280 HA LEU 36 HA LEU 36 -6.852 5.720 1.198 281 1HB LEU 36 HB2 LEU 36 -7.234 4.844 3.586 282 2HB LEU 36 HB1 LEU 36 -7.285 3.234 2.873 283 HG LEU 36 HG LEU 36 -4.991 4.847 1.976 284 1HD1 LEU 36 HD11 LEU 36 -5.159 5.651 4.306 285 2HD1 LEU 36 HD12 LEU 36 -3.751 4.611 4.097 286 3HD1 LEU 36 HD13 LEU 36 -5.202 3.984 4.879 287 1HD2 LEU 36 HD21 LEU 36 -3.843 2.754 2.264 288 2HD2 LEU 36 HD22 LEU 36 -5.437 2.363 1.619 289 3HD2 LEU 36 HD23 LEU 36 -5.102 2.140 3.336 290 H CYS 37 HN CYS 37 -8.897 2.807 1.024 291 HA CYS 37 HA CYS 37 -7.260 1.285 -0.774 292 1HB CYS 37 HB2 CYS 37 -10.000 1.292 0.320 293 2HB CYS 37 HB1 CYS 37 -9.856 0.528 -1.259 294 H CYS 38 HN CYS 38 -9.627 3.855 -1.311 295 HA CYS 38 HA CYS 38 -9.704 3.434 -4.226 296 1HB CYS 38 HB2 CYS 38 -11.695 4.162 -3.040 297 2HB CYS 38 HB1 CYS 38 -10.823 5.508 -2.313 298 H PHE 39 HN PHE 39 -8.257 5.671 -1.885 299 HA PHE 39 HA PHE 39 -7.164 7.532 -3.798 300 1HB PHE 39 HB2 PHE 39 -7.431 8.315 -1.602 301 2HB PHE 39 HB1 PHE 39 -6.782 6.839 -0.894 302 HD1 PHE 39 HD1 PHE 39 -4.513 6.702 -0.279 303 HD2 PHE 39 HD2 PHE 39 -5.804 9.804 -2.955 304 HE1 PHE 39 HE1 PHE 39 -2.267 7.746 -0.153 305 HE2 PHE 39 HE2 PHE 39 -3.557 10.847 -2.831 306 HZ PHE 39 HZ PHE 39 -1.789 9.817 -1.430 307 H ARG 40 HN ARG 40 -5.833 4.638 -2.194 308 HA ARG 40 HA ARG 40 -3.247 5.014 -3.606 309 1HB ARG 40 HB2 ARG 40 -4.232 3.807 -1.161 310 2HB ARG 40 HB1 ARG 40 -3.240 2.665 -2.060 311 1HG ARG 40 HG2 ARG 40 -1.934 5.189 -2.196 312 2HG ARG 40 HG1 ARG 40 -2.385 4.922 -0.511 313 1HD ARG 40 HD2 ARG 40 -1.073 2.996 -0.322 314 2HD ARG 40 HD1 ARG 40 -1.123 2.673 -2.066 315 HE ARG 40 HE ARG 40 0.502 4.444 -2.408 316 1HH1 ARG 40 HH21 ARG 40 1.651 2.866 -0.056 317 2HH1 ARG 40 HH22 ARG 40 2.118 4.150 1.009 318 1HH2 ARG 40 HH11 ARG 40 0.213 6.553 -0.635 319 2HH2 ARG 40 HH12 ARG 40 1.300 6.249 0.679 320 H TYR 41 HN TYR 41 -5.486 2.244 -3.087 321 HA TYR 41 HA TYR 41 -4.338 0.806 -5.345 322 1HB TYR 41 HB2 TYR 41 -6.712 0.337 -3.531 323 2HB TYR 41 HB1 TYR 41 -6.170 -0.815 -4.745 324 HD1 TYR 41 HD1 TYR 41 -4.258 -2.199 -4.394 325 HD2 TYR 41 HD2 TYR 41 -5.186 0.959 -1.633 326 HE1 TYR 41 HE1 TYR 41 -2.578 -3.097 -2.806 327 HE2 TYR 41 HE2 TYR 41 -3.500 0.068 -0.048 328 HH TYR 41 HH TYR 41 -1.304 -1.407 -0.338 329 H GLY 42 HN GLY 42 -7.335 2.613 -4.759 330 1HA GLY 42 HA2 GLY 42 -8.480 3.777 -6.548 331 2HA GLY 42 HA1 GLY 42 -7.795 2.634 -7.696 332 H ASP 43 HN ASP 43 -9.005 1.121 -4.851 333 HA ASP 43 HA ASP 43 -11.402 0.203 -6.383 334 1HB ASP 43 HB2 ASP 43 -10.460 -1.150 -3.892 335 2HB ASP 43 HB1 ASP 43 -11.110 -1.856 -5.362 336 H CYS 44 HN CYS 44 -13.393 -0.111 -5.127 337 HA CYS 44 HA CYS 44 -15.068 0.616 -3.628 338 1HB CYS 44 HB2 CYS 44 -12.789 1.367 -1.791 339 2HB CYS 44 HB1 CYS 44 -14.390 0.801 -1.346 340 H CYS 45 HN CYS 45 -14.119 2.464 -5.592 341 HA CYS 45 HA CYS 45 -13.784 5.079 -4.262 342 1HB CYS 45 HB2 CYS 45 -13.830 4.046 -7.105 343 2HB CYS 45 HB1 CYS 45 -13.732 5.767 -6.743 344 H HIS 46 HN HIS 46 -15.998 3.806 -6.778 345 HA HIS 46 HA HIS 46 -18.059 5.768 -5.892 346 1HB HIS 46 HB2 HIS 46 -17.503 4.156 -8.382 347 2HB HIS 46 HB1 HIS 46 -19.079 4.906 -8.133 348 HD1 HIS 46 HD1 HIS 46 -19.134 7.543 -7.970 349 HD2 HIS 46 HD2 HIS 46 -15.430 5.951 -9.035 350 HE1 HIS 46 HE1 HIS 46 -17.750 9.474 -8.848 351 H LEU 47 HN LEU 47 -18.630 4.469 -3.965 352 HA LEU 47 HA LEU 47 -19.808 1.790 -4.415 353 1HB LEU 47 HB2 LEU 47 -18.819 3.454 -2.188 354 2HB LEU 47 HB1 LEU 47 -20.251 2.507 -1.787 355 HG LEU 47 HG LEU 47 -18.456 0.852 -3.297 356 1HD1 LEU 47 HD11 LEU 47 -16.719 2.450 -2.484 357 2HD1 LEU 47 HD12 LEU 47 -16.519 0.832 -1.812 358 3HD1 LEU 47 HD13 LEU 47 -17.225 2.114 -0.828 359 1HD2 LEU 47 HD21 LEU 47 -20.229 0.213 -1.604 360 2HD2 LEU 47 HD22 LEU 47 -19.128 0.765 -0.341 361 3HD2 LEU 47 HD23 LEU 47 -18.676 -0.591 -1.374 Start of MODEL 2 1 1H HIS 1 HT1 HIS 1 -25.500 -10.395 -19.530 2 2H HIS 1 HT2 HIS 1 -26.446 -9.352 -18.578 3 3H HIS 1 HT3 HIS 1 -25.613 -10.644 -17.856 4 HA HIS 1 HA HIS 1 -23.509 -9.640 -18.207 5 1HB HIS 1 HB2 HIS 1 -23.328 -7.638 -19.634 6 2HB HIS 1 HB1 HIS 1 -24.098 -8.950 -20.523 7 HD1 HIS 1 HD1 HIS 1 -24.899 -5.682 -18.788 8 HD2 HIS 1 HD2 HIS 1 -26.763 -8.449 -21.292 9 HE1 HIS 1 HE1 HIS 1 -27.082 -4.630 -19.523 10 H SER 2 HN SER 2 -22.713 -7.560 -17.166 11 HA SER 2 HA SER 2 -22.765 -6.047 -15.360 12 1HB SER 2 HB2 SER 2 -25.654 -5.759 -16.247 13 2HB SER 2 HB1 SER 2 -24.704 -4.568 -15.365 14 HG SER 2 HG SER 2 -23.888 -3.946 -17.195 15 H SER 3 HN SER 3 -22.561 -7.992 -13.921 16 HA SER 3 HA SER 3 -24.776 -8.064 -11.966 17 1HB SER 3 HB2 SER 3 -24.460 -9.993 -14.051 18 2HB SER 3 HB1 SER 3 -24.050 -10.781 -12.530 19 HG SER 3 HG SER 3 -26.180 -10.938 -12.491 20 H GLY 4 HN GLY 4 -24.103 -9.259 -9.976 21 1HA GLY 4 HA2 GLY 4 -22.482 -10.164 -8.483 22 2HA GLY 4 HA1 GLY 4 -21.254 -9.956 -9.730 23 H TYR 5 HN TYR 5 -19.805 -8.378 -9.319 24 HA TYR 5 HA TYR 5 -18.871 -6.342 -8.576 25 1HB TYR 5 HB2 TYR 5 -21.420 -5.765 -9.411 26 2HB TYR 5 HB1 TYR 5 -21.465 -5.197 -7.742 27 HD1 TYR 5 HD1 TYR 5 -19.760 -4.845 -11.010 28 HD2 TYR 5 HD2 TYR 5 -20.151 -3.303 -7.019 29 HE1 TYR 5 HE1 TYR 5 -18.478 -2.827 -11.665 30 HE2 TYR 5 HE2 TYR 5 -18.869 -1.284 -7.675 31 HH TYR 5 HH TYR 5 -17.027 -0.834 -9.630 32 H THR 6 HN THR 6 -18.346 -5.267 -6.562 33 HA THR 6 HA THR 6 -19.334 -6.732 -4.138 34 HB THR 6 HB THR 6 -16.663 -5.388 -4.675 35 HG1 THR 6 HG1 THR 6 -16.037 -7.241 -5.428 36 1HG2 THR 6 HG21 THR 6 -17.332 -5.500 -2.282 37 2HG2 THR 6 HG22 THR 6 -15.939 -6.522 -2.634 38 3HG2 THR 6 HG23 THR 6 -17.536 -7.244 -2.443 39 H ARG 7 HN ARG 7 -20.185 -5.491 -2.501 40 HA ARG 7 HA ARG 7 -20.814 -2.715 -2.898 41 1HB ARG 7 HB2 ARG 7 -21.598 -2.903 -0.526 42 2HB ARG 7 HB1 ARG 7 -22.170 -4.228 -1.536 43 1HG ARG 7 HG2 ARG 7 -21.119 -5.749 -0.246 44 2HG ARG 7 HG1 ARG 7 -19.590 -4.882 -0.384 45 1HD ARG 7 HD2 ARG 7 -20.162 -4.912 1.964 46 2HD ARG 7 HD1 ARG 7 -20.497 -3.267 1.389 47 HE ARG 7 HE ARG 7 -22.859 -4.750 0.953 48 1HH1 ARG 7 HH21 ARG 7 -22.233 -2.298 2.823 49 2HH1 ARG 7 HH22 ARG 7 -22.909 -2.891 4.304 50 1HH2 ARG 7 HH11 ARG 7 -23.136 -6.177 3.193 51 2HH2 ARG 7 HH12 ARG 7 -23.421 -5.095 4.514 52 HA PRO 8 HA PRO 8 -17.158 -0.744 -1.429 53 1HB PRO 8 HB2 PRO 8 -18.213 1.570 -0.415 54 2HB PRO 8 HB1 PRO 8 -18.075 1.249 -2.155 55 1HG PRO 8 HG2 PRO 8 -20.448 1.018 -0.371 56 2HG PRO 8 HG1 PRO 8 -20.340 1.617 -2.034 57 1HD PRO 8 HD2 PRO 8 -21.254 -0.865 -1.398 58 2HD PRO 8 HD1 PRO 8 -20.453 -0.485 -2.938 59 H LEU 9 HN LEU 9 -15.986 -0.423 0.513 60 HA LEU 9 HA LEU 9 -17.043 -1.722 2.901 61 1HB LEU 9 HB2 LEU 9 -14.553 -1.125 1.732 62 2HB LEU 9 HB1 LEU 9 -14.578 -0.219 3.245 63 HG LEU 9 HG LEU 9 -15.548 -2.519 4.187 64 1HD1 LEU 9 HD11 LEU 9 -15.550 -3.580 1.932 65 2HD1 LEU 9 HD12 LEU 9 -14.518 -4.440 3.074 66 3HD1 LEU 9 HD13 LEU 9 -13.799 -3.381 1.861 67 1HD2 LEU 9 HD21 LEU 9 -13.425 -1.295 4.827 68 2HD2 LEU 9 HD22 LEU 9 -12.597 -2.203 3.562 69 3HD2 LEU 9 HD23 LEU 9 -13.312 -3.052 4.932 70 H ARG 10 HN ARG 10 -16.587 -0.515 5.085 71 HA ARG 10 HA ARG 10 -18.333 1.767 5.261 72 1HB ARG 10 HB2 ARG 10 -17.682 1.707 7.622 73 2HB ARG 10 HB1 ARG 10 -17.902 0.059 7.037 74 1HG ARG 10 HG2 ARG 10 -15.298 0.288 6.495 75 2HG ARG 10 HG1 ARG 10 -15.382 1.486 7.786 76 1HD ARG 10 HD2 ARG 10 -16.873 -0.850 8.586 77 2HD ARG 10 HD1 ARG 10 -15.242 -1.334 8.082 78 HE ARG 10 HE ARG 10 -14.371 -0.116 9.915 79 1HH1 ARG 10 HH11 ARG 10 -17.326 -0.492 10.923 80 2HH1 ARG 10 HH12 ARG 10 -17.619 1.095 11.551 81 1HH2 ARG 10 HH21 ARG 10 -14.859 2.508 9.980 82 2HH2 ARG 10 HH22 ARG 10 -16.217 2.802 11.013 83 H LYS 11 HN LYS 11 -17.810 3.962 5.655 84 HA LYS 11 HA LYS 11 -14.951 4.754 5.298 85 1HB LYS 11 HB2 LYS 11 -17.072 4.975 3.438 86 2HB LYS 11 HB1 LYS 11 -16.797 6.604 4.054 87 1HG LYS 11 HG2 LYS 11 -14.286 5.219 3.529 88 2HG LYS 11 HG1 LYS 11 -15.295 5.309 2.085 89 1HD LYS 11 HD2 LYS 11 -15.596 7.769 2.537 90 2HD LYS 11 HD1 LYS 11 -14.409 7.622 3.833 91 1HE LYS 11 HE2 LYS 11 -13.400 6.396 1.396 92 2HE LYS 11 HE1 LYS 11 -13.849 8.090 1.115 93 1HZ LYS 11 HZ1 LYS 11 -12.635 8.692 3.139 94 2HZ LYS 11 HZ2 LYS 11 -11.609 7.958 2.001 95 3HZ LYS 11 HZ3 LYS 11 -12.158 7.077 3.346 96 HA PRO 12 HA PRO 12 -16.482 7.081 8.854 97 1HB PRO 12 HB2 PRO 12 -14.037 7.403 10.033 98 2HB PRO 12 HB1 PRO 12 -14.992 5.917 10.183 99 1HG PRO 12 HG2 PRO 12 -12.598 6.462 8.545 100 2HG PRO 12 HG1 PRO 12 -13.158 4.947 9.266 101 1HD PRO 12 HD2 PRO 12 -13.419 5.699 6.584 102 2HD PRO 12 HD1 PRO 12 -14.265 4.361 7.388 103 H SER 13 HN SER 13 -15.159 9.191 9.895 104 HA SER 13 HA SER 13 -14.795 11.028 7.572 105 1HB SER 13 HB2 SER 13 -15.566 11.433 10.476 106 2HB SER 13 HB1 SER 13 -15.351 12.753 9.330 107 HG SER 13 HG SER 13 -17.519 11.390 9.725 108 H ARG 14 HN ARG 14 -12.502 9.801 7.732 109 HA ARG 14 HA ARG 14 -10.737 11.170 9.700 110 1HB ARG 14 HB2 ARG 14 -10.698 8.653 8.085 111 2HB ARG 14 HB1 ARG 14 -9.149 9.372 8.524 112 1HG ARG 14 HG2 ARG 14 -9.838 9.389 10.903 113 2HG ARG 14 HG1 ARG 14 -11.369 8.636 10.455 114 1HD ARG 14 HD2 ARG 14 -10.209 6.700 10.931 115 2HD ARG 14 HD1 ARG 14 -9.625 6.909 9.269 116 HE ARG 14 HE ARG 14 -8.023 7.258 11.650 117 1HH1 ARG 14 HH11 ARG 14 -7.293 6.806 8.634 118 2HH1 ARG 14 HH12 ARG 14 -6.310 8.205 8.358 119 1HH2 ARG 14 HH21 ARG 14 -7.342 9.824 11.256 120 2HH2 ARG 14 HH22 ARG 14 -6.337 9.920 9.850 121 HA PRO 15 HA PRO 15 -9.338 13.805 6.405 122 1HB PRO 15 HB2 PRO 15 -7.163 14.855 7.685 123 2HB PRO 15 HB1 PRO 15 -8.828 15.346 8.052 124 1HG PRO 15 HG2 PRO 15 -7.032 13.494 9.528 125 2HG PRO 15 HG1 PRO 15 -8.208 14.663 10.148 126 1HD PRO 15 HD2 PRO 15 -8.659 11.966 10.000 127 2HD PRO 15 HD1 PRO 15 -9.944 13.192 9.985 128 H ILE 16 HN ILE 16 -7.203 14.186 5.208 129 HA ILE 16 HA ILE 16 -6.096 11.742 4.248 130 HB ILE 16 HB ILE 16 -4.443 13.258 3.150 131 1HG1 ILE 16 HG12 ILE 16 -5.774 15.589 4.506 132 2HG1 ILE 16 HG11 ILE 16 -4.436 14.771 5.312 133 1HG2 ILE 16 HG21 ILE 16 -6.011 14.328 1.767 134 2HG2 ILE 16 HG22 ILE 16 -7.122 14.634 3.101 135 3HG2 ILE 16 HG23 ILE 16 -6.939 13.000 2.464 136 1HD1 ILE 16 HD11 ILE 16 -3.753 16.729 3.856 137 2HD1 ILE 16 HD12 ILE 16 -4.283 15.788 2.462 138 3HD1 ILE 16 HD13 ILE 16 -2.954 15.206 3.465 139 H PHE 17 HN PHE 17 -3.677 11.217 4.342 140 HA PHE 17 HA PHE 17 -2.300 11.993 6.838 141 1HB PHE 17 HB2 PHE 17 -3.999 10.092 7.232 142 2HB PHE 17 HB1 PHE 17 -2.913 9.085 6.275 143 HD1 PHE 17 HD1 PHE 17 -2.842 11.478 9.169 144 HD2 PHE 17 HD2 PHE 17 -1.172 7.959 7.354 145 HE1 PHE 17 HE1 PHE 17 -1.404 11.132 11.160 146 HE2 PHE 17 HE2 PHE 17 0.264 7.615 9.346 147 HZ PHE 17 HZ PHE 17 0.148 9.201 11.248 148 H ILE 18 HN ILE 18 -0.086 11.007 6.920 149 HA ILE 18 HA ILE 18 1.235 11.130 4.336 150 HB ILE 18 HB ILE 18 3.250 10.742 5.693 151 1HG1 ILE 18 HG12 ILE 18 1.295 10.131 7.938 152 2HG1 ILE 18 HG11 ILE 18 2.333 8.954 7.138 153 1HG2 ILE 18 HG21 ILE 18 1.477 12.437 7.433 154 2HG2 ILE 18 HG22 ILE 18 1.823 12.941 5.778 155 3HG2 ILE 18 HG23 ILE 18 3.143 12.724 6.927 156 1HD1 ILE 18 HD11 ILE 18 3.077 11.156 9.034 157 2HD1 ILE 18 HD12 ILE 18 4.251 10.640 7.823 158 3HD1 ILE 18 HD13 ILE 18 3.628 9.481 8.997 159 H ARG 19 HN ARG 19 2.894 9.299 3.820 160 HA ARG 19 HA ARG 19 1.417 6.861 3.322 161 1HB ARG 19 HB2 ARG 19 3.160 6.435 1.868 162 2HB ARG 19 HB1 ARG 19 3.400 8.165 2.074 163 1HG ARG 19 HG2 ARG 19 4.789 6.147 3.850 164 2HG ARG 19 HG1 ARG 19 5.469 6.659 2.310 165 1HD ARG 19 HD2 ARG 19 4.921 9.092 3.350 166 2HD ARG 19 HD1 ARG 19 5.219 8.186 4.847 167 HE ARG 19 HE ARG 19 7.440 7.619 4.016 168 1HH1 ARG 19 HH11 ARG 19 6.749 7.665 1.067 169 2HH1 ARG 19 HH12 ARG 19 7.585 9.084 0.537 170 1HH2 ARG 19 HH21 ARG 19 8.025 10.340 3.749 171 2HH2 ARG 19 HH22 ARG 19 8.312 10.607 2.062 172 HA PRO 20 HA PRO 20 2.452 4.543 6.893 173 1HB PRO 20 HB2 PRO 20 2.538 2.012 5.843 174 2HB PRO 20 HB1 PRO 20 1.030 2.905 6.120 175 1HG PRO 20 HG2 PRO 20 2.544 2.494 3.594 176 2HG PRO 20 HG1 PRO 20 0.798 2.524 3.872 177 1HD PRO 20 HD2 PRO 20 2.187 4.621 2.820 178 2HD PRO 20 HD1 PRO 20 0.685 4.801 3.747 179 H ILE 21 HN ILE 21 4.132 3.071 7.790 180 HA ILE 21 HA ILE 21 6.797 3.790 6.851 181 HB ILE 21 HB ILE 21 5.799 1.976 9.076 182 1HG1 ILE 21 HG12 ILE 21 6.878 4.522 9.905 183 2HG1 ILE 21 HG11 ILE 21 5.592 4.780 8.730 184 1HG2 ILE 21 HG21 ILE 21 8.117 1.487 8.702 185 2HG2 ILE 21 HG22 ILE 21 8.062 2.585 10.081 186 3HG2 ILE 21 HG23 ILE 21 8.509 3.193 8.487 187 1HD1 ILE 21 HD11 ILE 21 4.313 2.981 10.167 188 2HD1 ILE 21 HD12 ILE 21 4.377 4.656 10.717 189 3HD1 ILE 21 HD13 ILE 21 5.459 3.455 11.421 190 H GLY 22 HN GLY 22 8.493 2.088 6.588 191 1HA GLY 22 HA2 GLY 22 9.094 -0.233 6.075 192 2HA GLY 22 HA1 GLY 22 7.465 -0.466 5.448 193 H CYS 23 HN CYS 23 6.983 1.332 3.657 194 HA CYS 23 HA CYS 23 8.686 0.749 1.417 195 1HB CYS 23 HB2 CYS 23 6.336 2.470 2.048 196 2HB CYS 23 HB1 CYS 23 7.195 2.806 0.553 197 H ASP 24 HN ASP 24 8.602 3.460 3.683 198 HA ASP 24 HA ASP 24 10.446 5.089 2.077 199 1HB ASP 24 HB2 ASP 24 8.530 5.614 3.909 200 2HB ASP 24 HB1 ASP 24 9.943 5.627 4.961 201 H VAL 25 HN VAL 25 11.051 2.289 3.575 202 HA VAL 25 HA VAL 25 13.774 3.112 4.436 203 HB VAL 25 HB VAL 25 12.074 1.051 5.876 204 1HG1 VAL 25 HG11 VAL 25 14.401 0.814 6.365 205 2HG1 VAL 25 HG12 VAL 25 13.709 1.681 7.735 206 3HG1 VAL 25 HG13 VAL 25 14.621 2.558 6.506 207 1HG2 VAL 25 HG21 VAL 25 11.828 2.916 7.631 208 2HG2 VAL 25 HG22 VAL 25 10.828 3.065 6.186 209 3HG2 VAL 25 HG23 VAL 25 12.293 4.034 6.349 210 H CYS 26 HN CYS 26 13.650 2.265 2.004 211 HA CYS 26 HA CYS 26 13.323 -0.366 1.189 212 1HB CYS 26 HB2 CYS 26 15.409 1.722 0.523 213 2HB CYS 26 HB1 CYS 26 15.264 0.222 -0.387 214 H TYR 27 HN TYR 27 15.895 0.905 3.230 215 HA TYR 27 HA TYR 27 17.288 -1.735 3.149 216 1HB TYR 27 HB2 TYR 27 18.154 0.953 4.252 217 2HB TYR 27 HB1 TYR 27 19.176 -0.469 4.081 218 HD1 TYR 27 HD1 TYR 27 17.819 2.444 2.431 219 HD2 TYR 27 HD2 TYR 27 19.575 -1.417 1.744 220 HE1 TYR 27 HE1 TYR 27 18.346 3.098 0.098 221 HE2 TYR 27 HE2 TYR 27 20.100 -0.762 -0.589 222 HH TYR 27 HH TYR 27 20.423 1.976 -1.699 223 H GLY 28 HN GLY 28 16.973 -3.071 4.862 224 1HA GLY 28 HA2 GLY 28 17.101 -3.344 7.331 225 2HA GLY 28 HA1 GLY 28 16.144 -1.872 7.474 226 H ILE 29 HN ILE 29 14.360 -2.712 5.207 227 HA ILE 29 HA ILE 29 12.474 -4.261 6.815 228 HB ILE 29 HB ILE 29 10.971 -3.868 4.917 229 1HG1 ILE 29 HG12 ILE 29 13.398 -2.733 3.484 230 2HG1 ILE 29 HG11 ILE 29 12.671 -4.302 3.131 231 1HG2 ILE 29 HG21 ILE 29 11.162 -1.372 4.801 232 2HG2 ILE 29 HG22 ILE 29 12.722 -1.496 5.612 233 3HG2 ILE 29 HG23 ILE 29 11.255 -2.010 6.442 234 1HD1 ILE 29 HD11 ILE 29 11.710 -2.806 1.549 235 2HD1 ILE 29 HD12 ILE 29 11.448 -1.561 2.771 236 3HD1 ILE 29 HD13 ILE 29 10.471 -3.028 2.783 237 HA PRO 30 HA PRO 30 13.267 -8.243 5.201 238 1HB PRO 30 HB2 PRO 30 10.742 -9.294 5.000 239 2HB PRO 30 HB1 PRO 30 11.596 -9.065 6.539 240 1HG PRO 30 HG2 PRO 30 9.428 -7.468 5.325 241 2HG PRO 30 HG1 PRO 30 9.787 -7.775 7.025 242 1HD PRO 30 HD2 PRO 30 10.370 -5.428 5.679 243 2HD PRO 30 HD1 PRO 30 11.142 -5.957 7.185 244 H SER 31 HN SER 31 13.157 -9.570 3.300 245 HA SER 31 HA SER 31 13.091 -8.231 0.808 246 1HB SER 31 HB2 SER 31 14.051 -10.539 1.670 247 2HB SER 31 HB1 SER 31 12.522 -11.169 1.066 248 HG SER 31 HG SER 31 14.661 -10.673 -0.322 249 H SER 32 HN SER 32 10.554 -10.223 2.366 250 HA SER 32 HA SER 32 8.709 -10.224 0.178 251 1HB SER 32 HB2 SER 32 8.810 -11.524 2.460 252 2HB SER 32 HB1 SER 32 7.886 -10.159 3.077 253 HG SER 32 HG SER 32 6.581 -11.900 2.263 254 H THR 33 HN THR 33 9.064 -7.972 2.938 255 HA THR 33 HA THR 33 6.827 -6.292 2.247 256 HB THR 33 HB THR 33 9.423 -5.794 3.739 257 HG1 THR 33 HG1 THR 33 6.802 -6.165 4.747 258 1HG2 THR 33 HG21 THR 33 7.001 -4.067 3.298 259 2HG2 THR 33 HG22 THR 33 8.706 -3.618 3.273 260 3HG2 THR 33 HG23 THR 33 7.903 -3.946 4.808 261 H ALA 34 HN ALA 34 10.290 -6.194 1.407 262 HA ALA 34 HA ALA 34 10.318 -3.735 -0.015 263 1HB ALA 34 HB1 ALA 34 12.240 -5.075 -1.255 264 2HB ALA 34 HB2 ALA 34 11.899 -6.288 -0.020 265 3HB ALA 34 HB3 ALA 34 12.408 -4.667 0.453 266 H ARG 35 HN ARG 35 9.571 -7.045 -1.159 267 HA ARG 35 HA ARG 35 9.260 -6.381 -3.938 268 1HB ARG 35 HB2 ARG 35 8.051 -8.546 -2.178 269 2HB ARG 35 HB1 ARG 35 7.911 -8.525 -3.934 270 1HG ARG 35 HG2 ARG 35 10.636 -8.122 -3.473 271 2HG ARG 35 HG1 ARG 35 10.170 -9.335 -2.281 272 1HD ARG 35 HD2 ARG 35 9.485 -10.875 -3.921 273 2HD ARG 35 HD1 ARG 35 9.270 -9.612 -5.149 274 HE ARG 35 HE ARG 35 11.953 -10.470 -4.116 275 1HH1 ARG 35 HH21 ARG 35 11.881 -7.832 -5.507 276 2HH1 ARG 35 HH22 ARG 35 12.214 -8.264 -7.150 277 1HH2 ARG 35 HH11 ARG 35 11.503 -11.635 -6.677 278 2HH2 ARG 35 HH12 ARG 35 12.000 -10.429 -7.815 279 H LEU 36 HN LEU 36 6.916 -6.494 -1.243 280 HA LEU 36 HA LEU 36 4.607 -5.777 -2.827 281 1HB LEU 36 HB2 LEU 36 5.141 -6.637 -0.261 282 2HB LEU 36 HB1 LEU 36 4.681 -4.958 0.011 283 HG LEU 36 HG LEU 36 2.694 -6.374 0.126 284 1HD1 LEU 36 HD11 LEU 36 2.624 -4.086 -1.006 285 2HD1 LEU 36 HD12 LEU 36 1.301 -5.182 -1.404 286 3HD1 LEU 36 HD13 LEU 36 2.627 -4.951 -2.543 287 1HD2 LEU 36 HD21 LEU 36 1.983 -7.754 -1.738 288 2HD2 LEU 36 HD22 LEU 36 3.638 -8.200 -1.325 289 3HD2 LEU 36 HD23 LEU 36 3.324 -7.182 -2.730 290 H CYS 37 HN CYS 37 7.018 -3.902 -1.002 291 HA CYS 37 HA CYS 37 5.734 -1.337 -1.223 292 1HB CYS 37 HB2 CYS 37 8.353 -2.490 -0.473 293 2HB CYS 37 HB1 CYS 37 8.417 -0.831 -1.061 294 H CYS 38 HN CYS 38 7.843 -3.165 -3.404 295 HA CYS 38 HA CYS 38 8.257 -0.864 -5.200 296 1HB CYS 38 HB2 CYS 38 10.035 -2.482 -4.865 297 2HB CYS 38 HB1 CYS 38 8.963 -3.817 -5.276 298 H PHE 39 HN PHE 39 6.337 -3.844 -5.078 299 HA PHE 39 HA PHE 39 5.270 -3.679 -7.753 300 1HB PHE 39 HB2 PHE 39 5.223 -5.787 -6.707 301 2HB PHE 39 HB1 PHE 39 4.617 -5.124 -5.192 302 HD1 PHE 39 HD1 PHE 39 3.610 -5.410 -8.802 303 HD2 PHE 39 HD2 PHE 39 2.354 -5.385 -4.694 304 HE1 PHE 39 HE1 PHE 39 1.287 -5.907 -9.510 305 HE2 PHE 39 HE2 PHE 39 0.031 -5.884 -5.402 306 HZ PHE 39 HZ PHE 39 -0.503 -6.144 -7.810 307 H ARG 40 HN ARG 40 4.086 -2.530 -4.589 308 HA ARG 40 HA ARG 40 1.660 -1.415 -5.891 309 1HB ARG 40 HB2 ARG 40 2.562 -2.157 -3.149 310 2HB ARG 40 HB1 ARG 40 1.358 -0.879 -3.278 311 1HG ARG 40 HG2 ARG 40 1.046 -3.494 -4.752 312 2HG ARG 40 HG1 ARG 40 0.481 -3.296 -3.094 313 1HD ARG 40 HD2 ARG 40 -1.352 -2.148 -3.780 314 2HD ARG 40 HD1 ARG 40 -0.369 -1.068 -4.789 315 HE ARG 40 HE ARG 40 -1.366 -3.753 -5.656 316 1HH1 ARG 40 HH21 ARG 40 -2.552 -1.414 -6.971 317 2HH1 ARG 40 HH22 ARG 40 -1.563 -1.201 -8.377 318 1HH2 ARG 40 HH11 ARG 40 1.036 -3.162 -7.166 319 2HH2 ARG 40 HH12 ARG 40 0.478 -2.191 -8.485 320 H TYR 41 HN TYR 41 4.043 -0.176 -3.489 321 HA TYR 41 HA TYR 41 3.339 2.586 -4.061 322 1HB TYR 41 HB2 TYR 41 5.510 1.201 -2.484 323 2HB TYR 41 HB1 TYR 41 5.381 2.955 -2.565 324 HD1 TYR 41 HD1 TYR 41 3.593 4.144 -1.442 325 HD2 TYR 41 HD2 TYR 41 3.746 -0.150 -1.416 326 HE1 TYR 41 HE1 TYR 41 1.866 4.094 0.342 327 HE2 TYR 41 HE2 TYR 41 2.015 -0.201 0.360 328 HH TYR 41 HH TYR 41 0.012 1.823 1.033 329 H GLY 42 HN GLY 42 6.062 0.479 -4.970 330 1HA GLY 42 HA2 GLY 42 7.184 0.735 -7.106 331 2HA GLY 42 HA1 GLY 42 6.735 2.435 -7.107 332 H ASP 43 HN ASP 43 7.885 1.401 -4.047 333 HA ASP 43 HA ASP 43 10.511 2.722 -4.596 334 1HB ASP 43 HB2 ASP 43 9.182 2.212 -1.924 335 2HB ASP 43 HB1 ASP 43 10.475 3.345 -2.276 336 H CYS 44 HN CYS 44 12.394 1.800 -3.474 337 HA CYS 44 HA CYS 44 13.807 0.014 -2.849 338 1HB CYS 44 HB2 CYS 44 11.232 -1.380 -2.082 339 2HB CYS 44 HB1 CYS 44 12.830 -1.658 -1.409 340 H CYS 45 HN CYS 45 12.766 0.199 -5.565 341 HA CYS 45 HA CYS 45 12.167 -2.557 -6.428 342 1HB CYS 45 HB2 CYS 45 12.506 0.136 -7.775 343 2HB CYS 45 HB1 CYS 45 12.200 -1.340 -8.685 344 H HIS 46 HN HIS 46 14.616 -0.121 -7.374 345 HA HIS 46 HA HIS 46 16.462 -2.260 -8.239 346 1HB HIS 46 HB2 HIS 46 16.515 0.776 -8.314 347 2HB HIS 46 HB1 HIS 46 17.792 -0.239 -8.984 348 HD1 HIS 46 HD1 HIS 46 14.542 1.225 -9.803 349 HD2 HIS 46 HD2 HIS 46 16.771 -2.043 -11.122 350 HE1 HIS 46 HE1 HIS 46 13.535 0.516 -12.017 351 H LEU 47 HN LEU 47 16.986 -3.165 -6.130 352 HA LEU 47 HA LEU 47 18.713 -1.388 -4.437 353 1HB LEU 47 HB2 LEU 47 16.298 -2.660 -3.821 354 2HB LEU 47 HB1 LEU 47 17.527 -3.698 -3.099 355 HG LEU 47 HG LEU 47 18.509 -1.324 -2.324 356 1HD1 LEU 47 HD11 LEU 47 16.840 0.300 -1.891 357 2HD1 LEU 47 HD12 LEU 47 15.531 -0.842 -2.197 358 3HD1 LEU 47 HD13 LEU 47 16.504 -0.236 -3.537 359 1HD2 LEU 47 HD21 LEU 47 17.911 -3.209 -0.848 360 2HD2 LEU 47 HD22 LEU 47 16.206 -2.777 -0.980 361 3HD2 LEU 47 HD23 LEU 47 17.333 -1.684 -0.175 Start of MODEL 3 1 1H HIS 1 HT1 HIS 1 -35.085 0.972 -16.112 2 2H HIS 1 HT2 HIS 1 -34.161 2.394 -16.220 3 3H HIS 1 HT3 HIS 1 -35.833 2.442 -16.512 4 HA HIS 1 HA HIS 1 -35.362 3.333 -14.314 5 1HB HIS 1 HB2 HIS 1 -36.993 1.013 -15.011 6 2HB HIS 1 HB1 HIS 1 -36.615 1.043 -13.289 7 HD1 HIS 1 HD1 HIS 1 -38.885 2.481 -15.726 8 HD2 HIS 1 HD2 HIS 1 -37.257 3.731 -12.096 9 HE1 HIS 1 HE1 HIS 1 -40.323 4.404 -14.919 10 H SER 2 HN SER 2 -33.951 3.290 -12.596 11 HA SER 2 HA SER 2 -32.667 0.724 -11.803 12 1HB SER 2 HB2 SER 2 -30.445 1.968 -11.879 13 2HB SER 2 HB1 SER 2 -31.163 1.629 -13.450 14 HG SER 2 HG SER 2 -30.602 4.004 -12.279 15 H SER 3 HN SER 3 -31.889 0.766 -9.614 16 HA SER 3 HA SER 3 -33.088 2.908 -7.942 17 1HB SER 3 HB2 SER 3 -33.283 0.329 -7.655 18 2HB SER 3 HB1 SER 3 -31.649 0.424 -7.005 19 HG SER 3 HG SER 3 -33.129 0.644 -5.330 20 H GLY 4 HN GLY 4 -31.789 4.609 -7.380 21 1HA GLY 4 HA2 GLY 4 -28.861 4.362 -7.533 22 2HA GLY 4 HA1 GLY 4 -29.759 5.847 -7.228 23 H TYR 5 HN TYR 5 -27.627 3.867 -5.774 24 HA TYR 5 HA TYR 5 -28.710 4.481 -3.051 25 1HB TYR 5 HB2 TYR 5 -28.322 1.943 -4.331 26 2HB TYR 5 HB1 TYR 5 -27.171 2.074 -3.002 27 HD1 TYR 5 HD1 TYR 5 -30.668 1.708 -3.927 28 HD2 TYR 5 HD2 TYR 5 -27.993 2.603 -0.687 29 HE1 TYR 5 HE1 TYR 5 -32.492 1.278 -2.302 30 HE2 TYR 5 HE2 TYR 5 -29.817 2.173 0.937 31 HH TYR 5 HH TYR 5 -32.982 2.102 0.167 32 H THR 6 HN THR 6 -27.205 5.426 -1.720 33 HA THR 6 HA THR 6 -24.435 5.765 -2.750 34 HB THR 6 HB THR 6 -25.858 7.044 -0.389 35 HG1 THR 6 HG1 THR 6 -26.960 7.998 -1.887 36 1HG2 THR 6 HG21 THR 6 -23.314 7.622 -1.902 37 2HG2 THR 6 HG22 THR 6 -23.539 7.435 -0.163 38 3HG2 THR 6 HG23 THR 6 -24.138 8.879 -0.980 39 H ARG 7 HN ARG 7 -23.245 3.942 -2.144 40 HA ARG 7 HA ARG 7 -22.788 3.519 0.732 41 1HB ARG 7 HB2 ARG 7 -24.859 2.187 -0.358 42 2HB ARG 7 HB1 ARG 7 -23.563 1.075 -0.795 43 1HG ARG 7 HG2 ARG 7 -24.332 0.341 1.339 44 2HG ARG 7 HG1 ARG 7 -22.825 1.201 1.654 45 1HD ARG 7 HD2 ARG 7 -24.326 2.072 3.281 46 2HD ARG 7 HD1 ARG 7 -24.356 3.294 1.995 47 HE ARG 7 HE ARG 7 -26.323 1.426 1.283 48 1HH1 ARG 7 HH21 ARG 7 -26.777 1.118 4.204 49 2HH1 ARG 7 HH22 ARG 7 -27.915 2.378 4.543 50 1HH2 ARG 7 HH11 ARG 7 -27.278 4.102 1.591 51 2HH2 ARG 7 HH12 ARG 7 -28.199 4.078 3.057 52 HA PRO 8 HA PRO 8 -18.849 2.598 -1.119 53 1HB PRO 8 HB2 PRO 8 -17.550 1.855 1.172 54 2HB PRO 8 HB1 PRO 8 -17.901 3.547 0.767 55 1HG PRO 8 HG2 PRO 8 -19.301 1.723 2.650 56 2HG PRO 8 HG1 PRO 8 -18.970 3.456 2.790 57 1HD PRO 8 HD2 PRO 8 -21.400 2.414 2.079 58 2HD PRO 8 HD1 PRO 8 -20.841 4.037 1.620 59 H LEU 9 HN LEU 9 -17.636 0.699 -1.662 60 HA LEU 9 HA LEU 9 -19.037 -1.767 -1.824 61 1HB LEU 9 HB2 LEU 9 -16.884 -2.627 -2.621 62 2HB LEU 9 HB1 LEU 9 -17.135 -0.999 -3.246 63 HG LEU 9 HG LEU 9 -15.864 -0.597 -0.785 64 1HD1 LEU 9 HD11 LEU 9 -15.407 -3.167 -1.073 65 2HD1 LEU 9 HD12 LEU 9 -14.085 -2.102 -0.596 66 3HD1 LEU 9 HD13 LEU 9 -14.226 -2.635 -2.271 67 1HD2 LEU 9 HD21 LEU 9 -15.513 0.653 -2.897 68 2HD2 LEU 9 HD22 LEU 9 -14.659 -0.736 -3.569 69 3HD2 LEU 9 HD23 LEU 9 -13.980 0.136 -2.195 70 H ARG 10 HN ARG 10 -18.623 -3.812 -0.718 71 HA ARG 10 HA ARG 10 -17.991 -3.453 2.152 72 1HB ARG 10 HB2 ARG 10 -19.856 -4.895 0.654 73 2HB ARG 10 HB1 ARG 10 -18.730 -6.125 1.227 74 1HG ARG 10 HG2 ARG 10 -20.476 -5.857 2.892 75 2HG ARG 10 HG1 ARG 10 -18.979 -5.195 3.544 76 1HD ARG 10 HD2 ARG 10 -20.887 -3.667 3.984 77 2HD ARG 10 HD1 ARG 10 -19.723 -2.905 2.885 78 HE ARG 10 HE ARG 10 -21.359 -3.015 1.182 79 1HH1 ARG 10 HH21 ARG 10 -23.555 -3.023 3.160 80 2HH1 ARG 10 HH22 ARG 10 -24.423 -4.472 2.773 81 1HH2 ARG 10 HH11 ARG 10 -21.827 -5.839 0.907 82 2HH2 ARG 10 HH12 ARG 10 -23.441 -6.071 1.489 83 H LYS 11 HN LYS 11 -16.047 -4.084 2.995 84 HA LYS 11 HA LYS 11 -13.982 -5.229 1.295 85 1HB LYS 11 HB2 LYS 11 -14.267 -4.285 4.134 86 2HB LYS 11 HB1 LYS 11 -12.832 -5.198 3.670 87 1HG LYS 11 HG2 LYS 11 -11.972 -3.253 2.916 88 2HG LYS 11 HG1 LYS 11 -13.148 -3.344 1.606 89 1HD LYS 11 HD2 LYS 11 -14.787 -2.273 3.345 90 2HD LYS 11 HD1 LYS 11 -13.308 -1.798 4.181 91 1HE LYS 11 HE2 LYS 11 -12.507 -0.772 2.002 92 2HE LYS 11 HE1 LYS 11 -14.133 -1.063 1.353 93 1HZ LYS 11 HZ1 LYS 11 -13.376 0.598 3.691 94 2HZ LYS 11 HZ2 LYS 11 -14.973 0.076 3.428 95 3HZ LYS 11 HZ3 LYS 11 -14.207 1.082 2.293 96 HA PRO 12 HA PRO 12 -14.718 -9.469 2.284 97 1HB PRO 12 HB2 PRO 12 -12.261 -10.471 1.605 98 2HB PRO 12 HB1 PRO 12 -13.455 -9.945 0.405 99 1HG PRO 12 HG2 PRO 12 -11.024 -8.557 1.390 100 2HG PRO 12 HG1 PRO 12 -11.738 -8.578 -0.229 101 1HD PRO 12 HD2 PRO 12 -11.997 -6.508 1.567 102 2HD PRO 12 HD1 PRO 12 -13.116 -6.827 0.225 103 H SER 13 HN SER 13 -12.631 -11.215 3.233 104 HA SER 13 HA SER 13 -12.763 -10.901 6.047 105 1HB SER 13 HB2 SER 13 -10.879 -12.387 4.196 106 2HB SER 13 HB1 SER 13 -10.868 -12.611 5.942 107 HG SER 13 HG SER 13 -12.713 -13.407 4.036 108 H ARG 14 HN ARG 14 -10.706 -10.717 7.466 109 HA ARG 14 HA ARG 14 -9.608 -8.178 7.524 110 1HB ARG 14 HB2 ARG 14 -9.443 -10.006 9.237 111 2HB ARG 14 HB1 ARG 14 -8.181 -10.754 8.258 112 1HG ARG 14 HG2 ARG 14 -6.703 -9.464 9.375 113 2HG ARG 14 HG1 ARG 14 -7.367 -8.091 8.490 114 1HD ARG 14 HD2 ARG 14 -9.165 -7.973 10.335 115 2HD ARG 14 HD1 ARG 14 -8.110 -9.058 11.261 116 HE ARG 14 HE ARG 14 -7.387 -6.305 10.373 117 1HH1 ARG 14 HH21 ARG 14 -7.440 -7.001 13.261 118 2HH1 ARG 14 HH22 ARG 14 -5.776 -7.333 13.603 119 1HH2 ARG 14 HH11 ARG 14 -4.891 -7.699 10.259 120 2HH2 ARG 14 HH12 ARG 14 -4.326 -7.729 11.896 121 HA PRO 15 HA PRO 15 -7.004 -8.144 3.895 122 1HB PRO 15 HB2 PRO 15 -5.957 -5.652 4.293 123 2HB PRO 15 HB1 PRO 15 -7.595 -5.924 3.666 124 1HG PRO 15 HG2 PRO 15 -6.717 -5.199 6.414 125 2HG PRO 15 HG1 PRO 15 -8.130 -4.652 5.497 126 1HD PRO 15 HD2 PRO 15 -8.238 -6.547 7.460 127 2HD PRO 15 HD1 PRO 15 -9.386 -6.459 6.106 128 H ILE 16 HN ILE 16 -4.587 -7.372 3.565 129 HA ILE 16 HA ILE 16 -2.841 -9.071 4.997 130 HB ILE 16 HB ILE 16 -2.386 -6.510 3.428 131 1HG1 ILE 16 HG12 ILE 16 -1.842 -9.353 2.563 132 2HG1 ILE 16 HG11 ILE 16 -3.443 -8.637 2.382 133 1HG2 ILE 16 HG21 ILE 16 -0.404 -6.846 4.764 134 2HG2 ILE 16 HG22 ILE 16 -0.043 -7.420 3.137 135 3HG2 ILE 16 HG23 ILE 16 -0.401 -8.576 4.419 136 1HD1 ILE 16 HD11 ILE 16 -2.384 -6.736 1.126 137 2HD1 ILE 16 HD12 ILE 16 -2.222 -8.294 0.314 138 3HD1 ILE 16 HD13 ILE 16 -0.852 -7.609 1.190 139 H PHE 17 HN PHE 17 -1.030 -8.437 6.454 140 HA PHE 17 HA PHE 17 -1.871 -7.039 8.803 141 1HB PHE 17 HB2 PHE 17 0.046 -8.817 8.197 142 2HB PHE 17 HB1 PHE 17 1.028 -7.355 8.135 143 HD1 PHE 17 HD1 PHE 17 -1.669 -8.826 10.308 144 HD2 PHE 17 HD2 PHE 17 2.077 -6.732 10.114 145 HE1 PHE 17 HE1 PHE 17 -1.555 -8.800 12.785 146 HE2 PHE 17 HE2 PHE 17 2.190 -6.706 12.591 147 HZ PHE 17 HZ PHE 17 0.375 -7.740 13.926 148 H ILE 18 HN ILE 18 -0.229 -5.246 9.695 149 HA ILE 18 HA ILE 18 -0.735 -2.809 8.307 150 HB ILE 18 HB ILE 18 0.793 -1.850 9.986 151 1HG1 ILE 18 HG12 ILE 18 1.546 -4.119 11.494 152 2HG1 ILE 18 HG11 ILE 18 1.973 -4.486 9.824 153 1HG2 ILE 18 HG21 ILE 18 -0.615 -4.090 11.408 154 2HG2 ILE 18 HG22 ILE 18 -1.553 -2.876 10.539 155 3HG2 ILE 18 HG23 ILE 18 -0.489 -2.390 11.859 156 1HD1 ILE 18 HD11 ILE 18 2.887 -1.980 9.894 157 2HD1 ILE 18 HD12 ILE 18 3.872 -3.332 10.452 158 3HD1 ILE 18 HD13 ILE 18 3.005 -2.331 11.618 159 H ARG 19 HN ARG 19 1.324 -1.278 7.946 160 HA ARG 19 HA ARG 19 2.534 -1.975 5.508 161 1HB ARG 19 HB2 ARG 19 2.793 0.254 5.789 162 2HB ARG 19 HB1 ARG 19 2.639 0.117 7.532 163 1HG ARG 19 HG2 ARG 19 5.225 -0.847 6.491 164 2HG ARG 19 HG1 ARG 19 4.925 0.865 6.212 165 1HD ARG 19 HD2 ARG 19 4.836 1.367 8.486 166 2HD ARG 19 HD1 ARG 19 4.360 -0.283 8.933 167 HE ARG 19 HE ARG 19 7.008 -0.078 7.674 168 1HH1 ARG 19 HH11 ARG 19 7.289 1.534 10.126 169 2HH1 ARG 19 HH12 ARG 19 7.662 0.347 11.333 170 1HH2 ARG 19 HH21 ARG 19 6.557 -2.333 9.402 171 2HH2 ARG 19 HH22 ARG 19 7.240 -1.856 10.922 172 HA PRO 20 HA PRO 20 5.508 -4.956 6.966 173 1HB PRO 20 HB2 PRO 20 6.628 -5.428 4.508 174 2HB PRO 20 HB1 PRO 20 5.084 -6.135 5.031 175 1HG PRO 20 HG2 PRO 20 5.595 -3.807 3.254 176 2HG PRO 20 HG1 PRO 20 4.352 -5.059 3.146 177 1HD PRO 20 HD2 PRO 20 3.874 -2.547 4.097 178 2HD PRO 20 HD1 PRO 20 2.951 -3.979 4.589 179 H ILE 21 HN ILE 21 7.973 -5.223 6.551 180 HA ILE 21 HA ILE 21 9.268 -2.650 7.092 181 HB ILE 21 HB ILE 21 10.343 -5.486 6.867 182 1HG1 ILE 21 HG12 ILE 21 10.084 -4.424 9.548 183 2HG1 ILE 21 HG11 ILE 21 8.529 -4.378 8.725 184 1HG2 ILE 21 HG21 ILE 21 12.074 -4.506 8.488 185 2HG2 ILE 21 HG22 ILE 21 11.470 -2.920 8.006 186 3HG2 ILE 21 HG23 ILE 21 12.197 -3.989 6.806 187 1HD1 ILE 21 HD11 ILE 21 8.914 -6.784 8.051 188 2HD1 ILE 21 HD12 ILE 21 8.717 -6.537 9.786 189 3HD1 ILE 21 HD13 ILE 21 10.325 -6.786 9.109 190 H GLY 22 HN GLY 22 11.343 -2.123 5.957 191 1HA GLY 22 HA2 GLY 22 12.776 -2.344 3.973 192 2HA GLY 22 HA1 GLY 22 11.381 -2.970 3.099 193 H CYS 23 HN CYS 23 9.431 -1.309 3.271 194 HA CYS 23 HA CYS 23 10.202 1.068 1.835 195 1HB CYS 23 HB2 CYS 23 7.740 -0.128 3.026 196 2HB CYS 23 HB1 CYS 23 7.667 1.564 2.555 197 H ASP 24 HN ASP 24 9.604 0.425 5.245 198 HA ASP 24 HA ASP 24 9.581 3.282 5.955 199 1HB ASP 24 HB2 ASP 24 9.055 0.651 7.182 200 2HB ASP 24 HB1 ASP 24 9.784 1.818 8.280 201 H VAL 25 HN VAL 25 12.045 1.654 4.787 202 HA VAL 25 HA VAL 25 14.026 2.852 6.640 203 HB VAL 25 HB VAL 25 14.240 0.041 5.511 204 1HG1 VAL 25 HG11 VAL 25 15.814 0.067 7.687 205 2HG1 VAL 25 HG12 VAL 25 15.879 1.784 7.291 206 3HG1 VAL 25 HG13 VAL 25 16.395 0.585 6.105 207 1HG2 VAL 25 HG21 VAL 25 12.380 -0.061 7.024 208 2HG2 VAL 25 HG22 VAL 25 13.183 0.993 8.187 209 3HG2 VAL 25 HG23 VAL 25 13.774 -0.649 7.931 210 H CYS 26 HN CYS 26 13.531 4.220 4.500 211 HA CYS 26 HA CYS 26 14.415 3.609 1.934 212 1HB CYS 26 HB2 CYS 26 14.674 6.120 3.610 213 2HB CYS 26 HB1 CYS 26 14.993 6.096 1.879 214 H TYR 27 HN TYR 27 16.396 4.130 4.793 215 HA TYR 27 HA TYR 27 18.871 4.079 3.126 216 1HB TYR 27 HB2 TYR 27 18.448 4.730 6.058 217 2HB TYR 27 HB1 TYR 27 19.933 4.975 5.146 218 HD1 TYR 27 HD1 TYR 27 16.788 6.409 6.112 219 HD2 TYR 27 HD2 TYR 27 19.834 6.529 3.083 220 HE1 TYR 27 HE1 TYR 27 15.979 8.637 5.385 221 HE2 TYR 27 HE2 TYR 27 19.024 8.757 2.357 222 HH TYR 27 HH TYR 27 17.749 10.675 3.377 223 H GLY 28 HN GLY 28 20.036 2.216 3.087 224 1HA GLY 28 HA2 GLY 28 21.127 0.393 4.360 225 2HA GLY 28 HA1 GLY 28 19.637 0.231 5.286 226 H ILE 29 HN ILE 29 17.941 0.525 2.854 227 HA ILE 29 HA ILE 29 18.034 -2.287 2.014 228 HB ILE 29 HB ILE 29 15.895 -1.750 0.954 229 1HG1 ILE 29 HG12 ILE 29 16.454 1.140 1.703 230 2HG1 ILE 29 HG11 ILE 29 16.606 0.489 0.070 231 1HG2 ILE 29 HG21 ILE 29 16.169 -0.366 3.636 232 2HG2 ILE 29 HG22 ILE 29 15.927 -2.096 3.396 233 3HG2 ILE 29 HG23 ILE 29 14.667 -0.956 2.926 234 1HD1 ILE 29 HD11 ILE 29 14.178 -0.286 0.307 235 2HD1 ILE 29 HD12 ILE 29 14.427 1.454 0.167 236 3HD1 ILE 29 HD13 ILE 29 14.099 0.734 1.744 237 HA PRO 30 HA PRO 30 19.999 -1.668 -1.844 238 1HB PRO 30 HB2 PRO 30 18.692 -3.492 -3.419 239 2HB PRO 30 HB1 PRO 30 19.887 -3.935 -2.184 240 1HG PRO 30 HG2 PRO 30 16.940 -4.116 -2.113 241 2HG PRO 30 HG1 PRO 30 18.153 -5.129 -1.328 242 1HD PRO 30 HD2 PRO 30 16.657 -3.156 -0.071 243 2HD PRO 30 HD1 PRO 30 18.167 -3.850 0.547 244 H SER 31 HN SER 31 19.751 -0.685 -3.918 245 HA SER 31 HA SER 31 17.741 1.298 -4.182 246 1HB SER 31 HB2 SER 31 20.101 0.897 -5.286 247 2HB SER 31 HB1 SER 31 19.157 0.120 -6.554 248 HG SER 31 HG SER 31 19.003 2.138 -7.204 249 H SER 32 HN SER 32 17.877 -1.996 -5.561 250 HA SER 32 HA SER 32 15.631 -1.719 -7.325 251 1HB SER 32 HB2 SER 32 17.463 -3.561 -7.092 252 2HB SER 32 HB1 SER 32 16.395 -4.257 -5.877 253 HG SER 32 HG SER 32 16.004 -5.069 -8.001 254 H THR 33 HN THR 33 15.856 -2.865 -3.938 255 HA THR 33 HA THR 33 13.014 -3.357 -3.647 256 HB THR 33 HB THR 33 15.214 -2.736 -1.644 257 HG1 THR 33 HG1 THR 33 14.082 -5.218 -2.432 258 1HG2 THR 33 HG21 THR 33 13.466 -4.255 -0.267 259 2HG2 THR 33 HG22 THR 33 12.338 -3.430 -1.343 260 3HG2 THR 33 HG23 THR 33 13.388 -2.493 -0.281 261 H ALA 34 HN ALA 34 15.160 -0.610 -2.916 262 HA ALA 34 HA ALA 34 13.205 1.103 -1.721 263 1HB ALA 34 HB1 ALA 34 14.904 2.766 -1.972 264 2HB ALA 34 HB2 ALA 34 15.580 1.963 -3.389 265 3HB ALA 34 HB3 ALA 34 15.776 1.244 -1.790 266 H ARG 35 HN ARG 35 14.185 0.613 -5.120 267 HA ARG 35 HA ARG 35 12.668 2.774 -6.258 268 1HB ARG 35 HB2 ARG 35 14.497 1.427 -7.350 269 2HB ARG 35 HB1 ARG 35 13.376 0.071 -7.455 270 1HG ARG 35 HG2 ARG 35 11.884 1.335 -8.886 271 2HG ARG 35 HG1 ARG 35 12.837 2.802 -8.657 272 1HD ARG 35 HD2 ARG 35 13.609 2.005 -10.743 273 2HD ARG 35 HD1 ARG 35 14.812 1.343 -9.619 274 HE ARG 35 HE ARG 35 13.128 -0.697 -9.569 275 1HH1 ARG 35 HH21 ARG 35 11.505 0.410 -11.843 276 2HH1 ARG 35 HH22 ARG 35 12.218 -0.378 -13.210 277 1HH2 ARG 35 HH11 ARG 35 15.094 -1.319 -11.497 278 2HH2 ARG 35 HH12 ARG 35 14.258 -1.364 -13.013 279 H LEU 36 HN LEU 36 11.880 -0.651 -5.636 280 HA LEU 36 HA LEU 36 9.227 -0.618 -6.756 281 1HB LEU 36 HB2 LEU 36 10.926 -2.498 -5.844 282 2HB LEU 36 HB1 LEU 36 9.919 -2.333 -4.406 283 HG LEU 36 HG LEU 36 7.906 -2.587 -5.982 284 1HD1 LEU 36 HD11 LEU 36 8.893 -2.233 -8.123 285 2HD1 LEU 36 HD12 LEU 36 8.551 -3.961 -8.054 286 3HD1 LEU 36 HD13 LEU 36 10.195 -3.377 -7.796 287 1HD2 LEU 36 HD21 LEU 36 8.588 -4.377 -4.473 288 2HD2 LEU 36 HD22 LEU 36 9.870 -4.867 -5.580 289 3HD2 LEU 36 HD23 LEU 36 8.180 -5.079 -6.038 290 H CYS 37 HN CYS 37 10.506 0.053 -3.507 291 HA CYS 37 HA CYS 37 8.046 0.325 -2.087 292 1HB CYS 37 HB2 CYS 37 10.893 1.087 -1.826 293 2HB CYS 37 HB1 CYS 37 9.775 2.098 -0.919 294 H CYS 38 HN CYS 38 9.842 2.609 -4.138 295 HA CYS 38 HA CYS 38 8.182 4.912 -3.439 296 1HB CYS 38 HB2 CYS 38 10.495 5.175 -4.123 297 2HB CYS 38 HB1 CYS 38 10.202 4.297 -5.620 298 H PHE 39 HN PHE 39 8.346 2.554 -6.085 299 HA PHE 39 HA PHE 39 6.401 3.764 -7.812 300 1HB PHE 39 HB2 PHE 39 7.822 2.180 -8.784 301 2HB PHE 39 HB1 PHE 39 7.668 1.065 -7.430 302 HD1 PHE 39 HD1 PHE 39 6.179 -0.739 -7.555 303 HD2 PHE 39 HD2 PHE 39 5.671 2.605 -10.203 304 HE1 PHE 39 HE1 PHE 39 4.387 -1.962 -8.757 305 HE2 PHE 39 HE2 PHE 39 3.879 1.382 -11.404 306 HZ PHE 39 HZ PHE 39 3.237 -0.901 -10.680 307 H ARG 40 HN ARG 40 6.081 1.341 -5.207 308 HA ARG 40 HA ARG 40 3.141 1.251 -5.669 309 1HB ARG 40 HB2 ARG 40 5.246 -0.491 -4.567 310 2HB ARG 40 HB1 ARG 40 3.732 -0.532 -3.664 311 1HG ARG 40 HG2 ARG 40 3.556 -0.647 -6.641 312 2HG ARG 40 HG1 ARG 40 4.132 -2.089 -5.805 313 1HD ARG 40 HD2 ARG 40 1.755 -0.842 -4.559 314 2HD ARG 40 HD1 ARG 40 1.476 -1.511 -6.179 315 HE ARG 40 HE ARG 40 3.012 -3.435 -4.832 316 1HH1 ARG 40 HH11 ARG 40 0.158 -3.764 -5.893 317 2HH1 ARG 40 HH12 ARG 40 -0.675 -4.248 -4.454 318 1HH2 ARG 40 HH21 ARG 40 1.878 -3.233 -2.324 319 2HH2 ARG 40 HH22 ARG 40 0.304 -3.948 -2.424 320 H TYR 41 HN TYR 41 5.319 1.531 -2.812 321 HA TYR 41 HA TYR 41 3.138 2.550 -1.159 322 1HB TYR 41 HB2 TYR 41 6.111 2.167 -0.790 323 2HB TYR 41 HB1 TYR 41 5.065 2.778 0.488 324 HD1 TYR 41 HD1 TYR 41 3.622 1.316 1.720 325 HD2 TYR 41 HD2 TYR 41 5.707 -0.116 -1.753 326 HE1 TYR 41 HE1 TYR 41 2.963 -1.011 2.283 327 HE2 TYR 41 HE2 TYR 41 5.045 -2.439 -1.193 328 HH TYR 41 HH TYR 41 4.237 -3.513 1.515 329 H GLY 42 HN GLY 42 5.971 3.952 -2.773 330 1HA GLY 42 HA2 GLY 42 5.972 6.230 -3.586 331 2HA GLY 42 HA1 GLY 42 4.768 6.639 -2.371 332 H ASP 43 HN ASP 43 7.281 4.706 -1.074 333 HA ASP 43 HA ASP 43 8.503 7.139 0.161 334 1HB ASP 43 HB2 ASP 43 8.679 4.288 1.150 335 2HB ASP 43 HB1 ASP 43 8.926 5.764 2.065 336 H CYS 44 HN CYS 44 10.828 7.109 0.498 337 HA CYS 44 HA CYS 44 13.065 6.765 -0.166 338 1HB CYS 44 HB2 CYS 44 12.069 4.092 -1.172 339 2HB CYS 44 HB1 CYS 44 13.690 4.485 -0.632 340 H CYS 45 HN CYS 45 11.270 8.105 -1.959 341 HA CYS 45 HA CYS 45 11.705 7.094 -4.679 342 1HB CYS 45 HB2 CYS 45 10.505 9.568 -3.413 343 2HB CYS 45 HB1 CYS 45 10.617 9.377 -5.160 344 H HIS 46 HN HIS 46 12.618 10.113 -2.984 345 HA HIS 46 HA HIS 46 14.827 10.545 -4.912 346 1HB HIS 46 HB2 HIS 46 13.391 12.125 -2.788 347 2HB HIS 46 HB1 HIS 46 14.954 12.686 -3.381 348 HD1 HIS 46 HD1 HIS 46 15.113 13.197 -5.992 349 HD2 HIS 46 HD2 HIS 46 11.254 12.536 -4.557 350 HE1 HIS 46 HE1 HIS 46 13.529 14.025 -7.787 351 H LEU 47 HN LEU 47 16.247 8.817 -4.195 352 HA LEU 47 HA LEU 47 17.406 9.174 -1.453 353 1HB LEU 47 HB2 LEU 47 16.551 6.911 -3.082 354 2HB LEU 47 HB1 LEU 47 18.215 6.715 -2.532 355 HG LEU 47 HG LEU 47 16.148 7.643 -0.567 356 1HD1 LEU 47 HD11 LEU 47 15.663 5.261 -0.026 357 2HD1 LEU 47 HD12 LEU 47 16.573 4.774 -1.455 358 3HD1 LEU 47 HD13 LEU 47 15.090 5.711 -1.632 359 1HD2 LEU 47 HD21 LEU 47 18.488 5.739 -0.276 360 2HD2 LEU 47 HD22 LEU 47 17.621 6.577 1.010 361 3HD2 LEU 47 HD23 LEU 47 18.645 7.487 -0.101 Start of MODEL 4 1 1H HIS 1 HT1 HIS 1 15.546 9.348 -1.219 2 2H HIS 1 HT2 HIS 1 16.031 7.738 -1.460 3 3H HIS 1 HT3 HIS 1 17.126 8.873 -0.826 4 HA HIS 1 HA HIS 1 14.683 7.824 0.518 5 1HB HIS 1 HB2 HIS 1 16.895 6.485 0.228 6 2HB HIS 1 HB1 HIS 1 17.580 7.651 1.361 7 HD1 HIS 1 HD1 HIS 1 14.817 5.059 1.127 8 HD2 HIS 1 HD2 HIS 1 16.872 7.231 4.033 9 HE1 HIS 1 HE1 HIS 1 14.092 4.126 3.367 10 H SER 2 HN SER 2 14.308 8.765 2.625 11 HA SER 2 HA SER 2 14.952 11.610 2.813 12 1HB SER 2 HB2 SER 2 13.638 11.261 5.007 13 2HB SER 2 HB1 SER 2 12.786 10.907 3.508 14 HG SER 2 HG SER 2 13.034 9.304 5.489 15 H SER 3 HN SER 3 16.331 12.593 4.326 16 HA SER 3 HA SER 3 18.111 12.814 5.851 17 1HB SER 3 HB2 SER 3 17.189 10.040 6.671 18 2HB SER 3 HB1 SER 3 18.227 11.098 7.619 19 HG SER 3 HG SER 3 15.998 11.226 8.212 20 H GLY 4 HN GLY 4 20.132 12.783 4.975 21 1HA GLY 4 HA2 GLY 4 21.072 10.552 3.353 22 2HA GLY 4 HA1 GLY 4 21.991 12.004 3.745 23 H TYR 5 HN TYR 5 21.047 8.814 4.931 24 HA TYR 5 HA TYR 5 23.166 9.011 7.043 25 1HB TYR 5 HB2 TYR 5 20.519 8.490 7.311 26 2HB TYR 5 HB1 TYR 5 21.120 6.851 7.064 27 HD1 TYR 5 HD1 TYR 5 22.715 5.835 8.637 28 HD2 TYR 5 HD2 TYR 5 21.142 9.782 9.276 29 HE1 TYR 5 HE1 TYR 5 23.521 5.778 10.980 30 HE2 TYR 5 HE2 TYR 5 21.949 9.724 11.619 31 HH TYR 5 HH TYR 5 22.484 7.523 13.323 32 H THR 6 HN THR 6 24.779 7.432 7.077 33 HA THR 6 HA THR 6 25.174 5.857 4.640 34 HB THR 6 HB THR 6 27.018 7.017 5.782 35 HG1 THR 6 HG1 THR 6 28.362 5.433 5.401 36 1HG2 THR 6 HG21 THR 6 25.805 5.964 8.126 37 2HG2 THR 6 HG22 THR 6 27.214 7.017 8.019 38 3HG2 THR 6 HG23 THR 6 27.421 5.266 8.023 39 H ARG 7 HN ARG 7 23.496 4.279 4.645 40 HA ARG 7 HA ARG 7 23.975 1.963 6.411 41 1HB ARG 7 HB2 ARG 7 22.034 3.950 6.979 42 2HB ARG 7 HB1 ARG 7 21.144 2.547 6.392 43 1HG ARG 7 HG2 ARG 7 21.703 1.269 8.198 44 2HG ARG 7 HG1 ARG 7 23.327 1.949 8.303 45 1HD ARG 7 HD2 ARG 7 22.663 3.351 9.950 46 2HD ARG 7 HD1 ARG 7 21.380 4.003 8.912 47 HE ARG 7 HE ARG 7 19.879 2.287 9.744 48 1HH1 ARG 7 HH21 ARG 7 21.513 3.348 12.202 49 2HH1 ARG 7 HH22 ARG 7 21.757 1.861 13.055 50 1HH2 ARG 7 HH11 ARG 7 20.847 -0.136 10.359 51 2HH2 ARG 7 HH12 ARG 7 21.378 -0.119 12.007 52 HA PRO 8 HA PRO 8 22.774 -0.035 2.658 53 1HB PRO 8 HB2 PRO 8 22.279 -2.544 3.630 54 2HB PRO 8 HB1 PRO 8 23.915 -1.887 3.428 55 1HG PRO 8 HG2 PRO 8 22.275 -2.155 5.890 56 2HG PRO 8 HG1 PRO 8 24.019 -2.352 5.667 57 1HD PRO 8 HD2 PRO 8 22.846 -0.120 6.747 58 2HD PRO 8 HD1 PRO 8 24.431 -0.126 5.944 59 H LEU 9 HN LEU 9 20.824 0.023 1.611 60 HA LEU 9 HA LEU 9 18.320 0.169 3.140 61 1HB LEU 9 HB2 LEU 9 19.168 0.447 0.256 62 2HB LEU 9 HB1 LEU 9 17.462 0.433 0.700 63 HG LEU 9 HG LEU 9 19.387 2.263 2.122 64 1HD1 LEU 9 HD11 LEU 9 18.566 4.020 0.446 65 2HD1 LEU 9 HD12 LEU 9 18.067 2.667 -0.568 66 3HD1 LEU 9 HD13 LEU 9 19.767 2.875 -0.149 67 1HD2 LEU 9 HD21 LEU 9 17.091 3.599 2.008 68 2HD2 LEU 9 HD22 LEU 9 17.336 2.333 3.211 69 3HD2 LEU 9 HD23 LEU 9 16.426 1.987 1.741 70 H ARG 10 HN ARG 10 16.906 -1.521 3.420 71 HA ARG 10 HA ARG 10 17.610 -4.199 2.536 72 1HB ARG 10 HB2 ARG 10 15.434 -2.857 4.108 73 2HB ARG 10 HB1 ARG 10 15.180 -4.515 3.564 74 1HG ARG 10 HG2 ARG 10 17.005 -5.338 4.800 75 2HG ARG 10 HG1 ARG 10 17.736 -3.740 4.958 76 1HD ARG 10 HD2 ARG 10 16.775 -4.203 7.104 77 2HD ARG 10 HD1 ARG 10 15.622 -3.108 6.317 78 HE ARG 10 HE ARG 10 15.220 -6.033 5.953 79 1HH1 ARG 10 HH21 ARG 10 13.088 -4.152 5.166 80 2HH1 ARG 10 HH22 ARG 10 12.025 -4.170 6.534 81 1HH2 ARG 10 HH11 ARG 10 14.380 -5.574 8.672 82 2HH2 ARG 10 HH12 ARG 10 12.761 -4.978 8.528 83 H LYS 11 HN LYS 11 17.548 -4.131 0.224 84 HA LYS 11 HA LYS 11 14.825 -4.352 -0.913 85 1HB LYS 11 HB2 LYS 11 15.459 -1.959 -1.055 86 2HB LYS 11 HB1 LYS 11 16.930 -2.407 -1.918 87 1HG LYS 11 HG2 LYS 11 15.353 -1.771 -3.601 88 2HG LYS 11 HG1 LYS 11 15.421 -3.533 -3.644 89 1HD LYS 11 HD2 LYS 11 13.444 -3.358 -1.907 90 2HD LYS 11 HD1 LYS 11 13.245 -1.747 -2.597 91 1HE LYS 11 HE2 LYS 11 13.604 -3.872 -4.622 92 2HE LYS 11 HE1 LYS 11 12.119 -4.020 -3.663 93 1HZ LYS 11 HZ1 LYS 11 13.066 -1.577 -5.074 94 2HZ LYS 11 HZ2 LYS 11 11.698 -1.646 -4.066 95 3HZ LYS 11 HZ3 LYS 11 11.736 -2.535 -5.514 96 HA PRO 12 HA PRO 12 17.499 -7.466 -2.802 97 1HB PRO 12 HB2 PRO 12 15.480 -9.213 -3.396 98 2HB PRO 12 HB1 PRO 12 16.209 -9.095 -1.784 99 1HG PRO 12 HG2 PRO 12 13.618 -8.056 -2.767 100 2HG PRO 12 HG1 PRO 12 14.064 -8.652 -1.163 101 1HD PRO 12 HD2 PRO 12 13.821 -5.984 -1.879 102 2HD PRO 12 HD1 PRO 12 14.692 -6.593 -0.457 103 H SER 13 HN SER 13 16.642 -8.880 -5.018 104 HA SER 13 HA SER 13 16.432 -6.770 -7.064 105 1HB SER 13 HB2 SER 13 16.958 -8.655 -8.572 106 2HB SER 13 HB1 SER 13 18.067 -8.627 -7.205 107 HG SER 13 HG SER 13 16.655 -10.641 -7.962 108 H ARG 14 HN ARG 14 14.845 -6.990 -8.844 109 HA ARG 14 HA ARG 14 12.691 -7.312 -9.736 110 1HB ARG 14 HB2 ARG 14 13.413 -9.706 -9.071 111 2HB ARG 14 HB1 ARG 14 12.359 -9.493 -7.675 112 1HG ARG 14 HG2 ARG 14 10.705 -8.646 -9.658 113 2HG ARG 14 HG1 ARG 14 11.659 -9.841 -10.534 114 1HD ARG 14 HD2 ARG 14 10.996 -11.602 -9.085 115 2HD ARG 14 HD1 ARG 14 10.426 -10.471 -7.841 116 HE ARG 14 HE ARG 14 9.112 -10.401 -10.513 117 1HH1 ARG 14 HH21 ARG 14 8.149 -8.990 -7.974 118 2HH1 ARG 14 HH22 ARG 14 6.832 -10.015 -7.505 119 1HH2 ARG 14 HH11 ARG 14 7.809 -12.648 -9.556 120 2HH2 ARG 14 HH12 ARG 14 6.639 -12.096 -8.405 121 HA PRO 15 HA PRO 15 10.361 -4.837 -6.868 122 1HB PRO 15 HB2 PRO 15 8.111 -4.545 -8.401 123 2HB PRO 15 HB1 PRO 15 9.612 -3.648 -8.706 124 1HG PRO 15 HG2 PRO 15 8.556 -6.084 -10.059 125 2HG PRO 15 HG1 PRO 15 9.365 -4.670 -10.754 126 1HD PRO 15 HD2 PRO 15 10.632 -7.029 -10.325 127 2HD PRO 15 HD1 PRO 15 11.462 -5.459 -10.258 128 H ILE 16 HN ILE 16 8.339 -5.036 -5.620 129 HA ILE 16 HA ILE 16 7.709 -7.788 -4.925 130 HB ILE 16 HB ILE 16 6.154 -6.666 -3.323 131 1HG1 ILE 16 HG12 ILE 16 7.116 -3.972 -4.128 132 2HG1 ILE 16 HG11 ILE 16 5.924 -4.710 -5.199 133 1HG2 ILE 16 HG21 ILE 16 8.323 -4.900 -2.801 134 2HG2 ILE 16 HG22 ILE 16 8.999 -6.360 -3.524 135 3HG2 ILE 16 HG23 ILE 16 8.006 -6.473 -2.071 136 1HD1 ILE 16 HD11 ILE 16 5.331 -4.952 -2.310 137 2HD1 ILE 16 HD12 ILE 16 4.255 -4.567 -3.653 138 3HD1 ILE 16 HD13 ILE 16 5.274 -3.311 -2.951 139 H PHE 17 HN PHE 17 5.240 -8.318 -4.637 140 HA PHE 17 HA PHE 17 4.055 -8.595 -7.224 141 1HB PHE 17 HB2 PHE 17 2.426 -9.813 -6.053 142 2HB PHE 17 HB1 PHE 17 3.814 -9.923 -4.979 143 HD1 PHE 17 HD1 PHE 17 0.456 -9.637 -4.837 144 HD2 PHE 17 HD2 PHE 17 3.913 -7.451 -3.517 145 HE1 PHE 17 HE1 PHE 17 -0.882 -8.613 -3.019 146 HE2 PHE 17 HE2 PHE 17 2.572 -6.427 -1.703 147 HZ PHE 17 HZ PHE 17 0.174 -7.008 -1.453 148 H ILE 18 HN ILE 18 1.745 -7.813 -7.685 149 HA ILE 18 HA ILE 18 1.686 -4.917 -7.691 150 HB ILE 18 HB ILE 18 -0.421 -5.244 -8.891 151 1HG1 ILE 18 HG12 ILE 18 -0.228 -8.187 -8.196 152 2HG1 ILE 18 HG11 ILE 18 -1.229 -7.059 -7.284 153 1HG2 ILE 18 HG21 ILE 18 1.210 -7.593 -9.787 154 2HG2 ILE 18 HG22 ILE 18 1.943 -5.990 -9.826 155 3HG2 ILE 18 HG23 ILE 18 0.473 -6.310 -10.746 156 1HD1 ILE 18 HD11 ILE 18 -2.289 -6.410 -9.521 157 2HD1 ILE 18 HD12 ILE 18 -2.681 -8.019 -8.915 158 3HD1 ILE 18 HD13 ILE 18 -1.485 -7.828 -10.197 159 H ARG 19 HN ARG 19 -0.562 -3.869 -7.038 160 HA ARG 19 HA ARG 19 -0.735 -3.833 -4.210 161 1HB ARG 19 HB2 ARG 19 -2.420 -2.231 -4.574 162 2HB ARG 19 HB1 ARG 19 -1.481 -2.152 -6.060 163 1HG ARG 19 HG2 ARG 19 -3.963 -3.866 -5.759 164 2HG ARG 19 HG1 ARG 19 -3.997 -2.219 -6.378 165 1HD ARG 19 HD2 ARG 19 -2.323 -2.917 -8.140 166 2HD ARG 19 HD1 ARG 19 -2.554 -4.592 -7.599 167 HE ARG 19 HE ARG 19 -4.969 -2.993 -8.306 168 1HH1 ARG 19 HH21 ARG 19 -5.257 -5.879 -7.831 169 2HH1 ARG 19 HH22 ARG 19 -5.188 -6.552 -9.425 170 1HH2 ARG 19 HH11 ARG 19 -3.785 -3.707 -10.843 171 2HH2 ARG 19 HH12 ARG 19 -4.348 -5.317 -11.137 172 HA PRO 20 HA PRO 20 -3.103 -7.458 -3.354 173 1HB PRO 20 HB2 PRO 20 -3.892 -6.773 -0.818 174 2HB PRO 20 HB1 PRO 20 -2.257 -7.347 -1.214 175 1HG PRO 20 HG2 PRO 20 -3.236 -4.572 -0.767 176 2HG PRO 20 HG1 PRO 20 -1.712 -5.322 -0.276 177 1HD PRO 20 HD2 PRO 20 -1.917 -3.661 -2.413 178 2HD PRO 20 HD1 PRO 20 -0.726 -4.970 -2.312 179 H ILE 21 HN ILE 21 -5.358 -7.955 -2.377 180 HA ILE 21 HA ILE 21 -7.365 -6.510 -3.882 181 HB ILE 21 HB ILE 21 -7.123 -8.900 -2.116 182 1HG1 ILE 21 HG12 ILE 21 -6.877 -8.899 -4.617 183 2HG1 ILE 21 HG11 ILE 21 -8.119 -9.991 -4.019 184 1HG2 ILE 21 HG21 ILE 21 -9.808 -7.638 -2.759 185 2HG2 ILE 21 HG22 ILE 21 -9.108 -7.810 -1.149 186 3HG2 ILE 21 HG23 ILE 21 -9.570 -9.242 -2.067 187 1HD1 ILE 21 HD11 ILE 21 -8.892 -7.191 -4.765 188 2HD1 ILE 21 HD12 ILE 21 -9.864 -8.662 -4.799 189 3HD1 ILE 21 HD13 ILE 21 -8.646 -8.381 -6.042 190 H GLY 22 HN GLY 22 -9.373 -5.696 -2.832 191 1HA GLY 22 HA2 GLY 22 -10.506 -4.797 -0.852 192 2HA GLY 22 HA1 GLY 22 -8.924 -4.516 -0.132 193 H CYS 23 HN CYS 23 -7.498 -3.109 -1.796 194 HA CYS 23 HA CYS 23 -8.800 -0.512 -1.927 195 1HB CYS 23 HB2 CYS 23 -6.146 -1.704 -2.655 196 2HB CYS 23 HB1 CYS 23 -6.514 -0.059 -3.149 197 H ASP 24 HN ASP 24 -8.167 -3.067 -4.268 198 HA ASP 24 HA ASP 24 -8.740 -1.399 -6.604 199 1HB ASP 24 HB2 ASP 24 -7.557 -3.878 -6.026 200 2HB ASP 24 HB1 ASP 24 -8.997 -4.277 -6.960 201 H VAL 25 HN VAL 25 -10.796 -2.266 -4.221 202 HA VAL 25 HA VAL 25 -13.113 -2.473 -6.062 203 HB VAL 25 HB VAL 25 -12.776 -4.156 -3.556 204 1HG1 VAL 25 HG11 VAL 25 -15.042 -4.153 -4.086 205 2HG1 VAL 25 HG12 VAL 25 -14.483 -5.543 -5.016 206 3HG1 VAL 25 HG13 VAL 25 -14.743 -3.993 -5.817 207 1HG2 VAL 25 HG21 VAL 25 -12.008 -4.764 -6.419 208 2HG2 VAL 25 HG22 VAL 25 -12.391 -6.046 -5.270 209 3HG2 VAL 25 HG23 VAL 25 -11.033 -4.964 -4.962 210 H CYS 26 HN CYS 26 -12.773 -0.094 -5.200 211 HA CYS 26 HA CYS 26 -13.241 0.782 -2.590 212 1HB CYS 26 HB2 CYS 26 -14.049 1.810 -5.311 213 2HB CYS 26 HB1 CYS 26 -14.409 2.732 -3.856 214 H TYR 27 HN TYR 27 -15.541 -0.711 -4.782 215 HA TYR 27 HA TYR 27 -17.789 -0.028 -2.938 216 1HB TYR 27 HB2 TYR 27 -17.974 -1.308 -5.669 217 2HB TYR 27 HB1 TYR 27 -19.206 -0.385 -4.818 218 HD1 TYR 27 HD1 TYR 27 -16.555 -0.245 -7.212 219 HD2 TYR 27 HD2 TYR 27 -18.679 2.116 -4.318 220 HE1 TYR 27 HE1 TYR 27 -15.762 1.825 -8.319 221 HE2 TYR 27 HE2 TYR 27 -17.884 4.187 -5.427 222 HH TYR 27 HH TYR 27 -15.619 4.657 -7.027 223 H GLY 28 HN GLY 28 -18.493 -1.625 -1.592 224 1HA GLY 28 HA2 GLY 28 -19.354 -3.939 -1.390 225 2HA GLY 28 HA1 GLY 28 -17.998 -4.466 -2.381 226 H ILE 29 HN ILE 29 -16.139 -2.613 -0.859 227 HA ILE 29 HA ILE 29 -15.484 -4.523 1.262 228 HB ILE 29 HB ILE 29 -13.477 -3.137 1.505 229 1HG1 ILE 29 HG12 ILE 29 -14.797 -1.236 -0.462 230 2HG1 ILE 29 HG11 ILE 29 -14.646 -0.936 1.269 231 1HG2 ILE 29 HG21 ILE 29 -13.581 -4.726 -0.374 232 2HG2 ILE 29 HG22 ILE 29 -12.625 -3.306 -0.795 233 3HG2 ILE 29 HG23 ILE 29 -14.273 -3.470 -1.400 234 1HD1 ILE 29 HD11 ILE 29 -12.418 -1.208 -0.761 235 2HD1 ILE 29 HD12 ILE 29 -12.134 -1.263 0.979 236 3HD1 ILE 29 HD13 ILE 29 -12.803 0.192 0.241 237 HA PRO 30 HA PRO 30 -17.226 -2.378 4.650 238 1HB PRO 30 HB2 PRO 30 -15.364 -2.852 6.607 239 2HB PRO 30 HB1 PRO 30 -16.499 -4.079 6.010 240 1HG PRO 30 HG2 PRO 30 -13.623 -3.723 5.429 241 2HG PRO 30 HG1 PRO 30 -14.584 -5.200 5.509 242 1HD PRO 30 HD2 PRO 30 -13.778 -3.952 3.171 243 2HD PRO 30 HD1 PRO 30 -15.115 -5.109 3.302 244 H SER 31 HN SER 31 -17.037 -0.466 5.967 245 HA SER 31 HA SER 31 -15.646 1.727 4.827 246 1HB SER 31 HB2 SER 31 -17.670 1.558 6.452 247 2HB SER 31 HB1 SER 31 -16.456 1.555 7.728 248 HG SER 31 HG SER 31 -17.367 3.663 6.919 249 H SER 32 HN SER 32 -14.740 -0.352 7.594 250 HA SER 32 HA SER 32 -12.464 1.150 8.452 251 1HB SER 32 HB2 SER 32 -13.740 -0.868 9.501 252 2HB SER 32 HB1 SER 32 -12.665 -1.863 8.524 253 HG SER 32 HG SER 32 -12.022 -1.190 10.786 254 H THR 33 HN THR 33 -12.728 -1.553 6.119 255 HA THR 33 HA THR 33 -9.908 -1.570 5.435 256 HB THR 33 HB THR 33 -12.392 -2.502 3.955 257 HG1 THR 33 HG1 THR 33 -10.543 -4.016 5.477 258 1HG2 THR 33 HG21 THR 33 -9.490 -2.676 3.354 259 2HG2 THR 33 HG22 THR 33 -10.872 -2.688 2.258 260 3HG2 THR 33 HG23 THR 33 -10.420 -4.157 3.123 261 H ALA 34 HN ALA 34 -12.811 -0.031 4.075 262 HA ALA 34 HA ALA 34 -11.589 1.133 1.763 263 1HB ALA 34 HB1 ALA 34 -13.621 2.570 1.827 264 2HB ALA 34 HB2 ALA 34 -13.943 2.014 3.470 265 3HB ALA 34 HB3 ALA 34 -14.016 0.877 2.123 266 H ARG 35 HN ARG 35 -11.971 2.327 5.112 267 HA ARG 35 HA ARG 35 -10.949 4.979 4.628 268 1HB ARG 35 HB2 ARG 35 -12.251 4.150 6.632 269 2HB ARG 35 HB1 ARG 35 -10.799 3.297 7.154 270 1HG ARG 35 HG2 ARG 35 -9.735 5.743 6.761 271 2HG ARG 35 HG1 ARG 35 -11.388 6.216 7.155 272 1HD ARG 35 HD2 ARG 35 -10.273 6.129 9.263 273 2HD ARG 35 HD1 ARG 35 -11.154 4.592 9.175 274 HE ARG 35 HE ARG 35 -8.697 4.075 7.947 275 1HH1 ARG 35 HH21 ARG 35 -7.663 6.104 9.938 276 2HH1 ARG 35 HH22 ARG 35 -7.258 5.095 11.285 277 1HH2 ARG 35 HH11 ARG 35 -9.113 2.382 10.145 278 2HH2 ARG 35 HH12 ARG 35 -8.085 2.979 11.406 279 H LEU 36 HN LEU 36 -9.396 1.928 5.637 280 HA LEU 36 HA LEU 36 -6.734 2.999 5.946 281 1HB LEU 36 HB2 LEU 36 -7.934 0.713 6.617 282 2HB LEU 36 HB1 LEU 36 -7.266 0.178 5.075 283 HG LEU 36 HG LEU 36 -5.048 1.265 5.973 284 1HD1 LEU 36 HD11 LEU 36 -6.376 2.169 7.999 285 2HD1 LEU 36 HD12 LEU 36 -4.824 1.399 8.327 286 3HD1 LEU 36 HD13 LEU 36 -6.324 0.514 8.605 287 1HD2 LEU 36 HD21 LEU 36 -5.296 -1.123 5.534 288 2HD2 LEU 36 HD22 LEU 36 -6.201 -1.336 7.033 289 3HD2 LEU 36 HD23 LEU 36 -4.490 -0.907 7.088 290 H CYS 37 HN CYS 37 -8.494 1.554 3.210 291 HA CYS 37 HA CYS 37 -6.326 1.375 1.353 292 1HB CYS 37 HB2 CYS 37 -9.279 1.348 1.372 293 2HB CYS 37 HB1 CYS 37 -8.571 1.888 -0.145 294 H CYS 38 HN CYS 38 -8.377 4.093 2.332 295 HA CYS 38 HA CYS 38 -7.405 5.857 0.187 296 1HB CYS 38 HB2 CYS 38 -9.675 6.076 1.015 297 2HB CYS 38 HB1 CYS 38 -9.107 6.211 2.677 298 H PHE 39 HN PHE 39 -6.871 5.347 3.654 299 HA PHE 39 HA PHE 39 -5.111 7.599 4.071 300 1HB PHE 39 HB2 PHE 39 -6.135 6.767 5.995 301 2HB PHE 39 HB1 PHE 39 -5.930 5.090 5.503 302 HD1 PHE 39 HD1 PHE 39 -4.168 3.814 6.377 303 HD2 PHE 39 HD2 PHE 39 -3.959 8.101 6.550 304 HE1 PHE 39 HE1 PHE 39 -2.106 3.659 7.745 305 HE2 PHE 39 HE2 PHE 39 -1.896 7.945 7.917 306 HZ PHE 39 HZ PHE 39 -0.969 5.724 8.514 307 H ARG 40 HN ARG 40 -4.564 4.194 3.198 308 HA ARG 40 HA ARG 40 -1.624 4.614 3.284 309 1HB ARG 40 HB2 ARG 40 -3.542 2.362 3.385 310 2HB ARG 40 HB1 ARG 40 -2.029 2.021 2.552 311 1HG ARG 40 HG2 ARG 40 -1.916 3.440 5.186 312 2HG ARG 40 HG1 ARG 40 -2.220 1.703 5.176 313 1HD ARG 40 HD2 ARG 40 -0.042 1.267 4.723 314 2HD ARG 40 HD1 ARG 40 -0.058 2.384 3.344 315 HE ARG 40 HE ARG 40 0.237 4.244 5.040 316 1HH1 ARG 40 HH11 ARG 40 -0.189 2.409 7.437 317 2HH1 ARG 40 HH12 ARG 40 1.437 2.195 7.991 318 1HH2 ARG 40 HH21 ARG 40 2.871 3.357 5.046 319 2HH2 ARG 40 HH22 ARG 40 3.177 2.733 6.632 320 H TYR 41 HN TYR 41 -3.973 3.223 0.936 321 HA TYR 41 HA TYR 41 -2.016 3.518 -1.237 322 1HB TYR 41 HB2 TYR 41 -4.864 2.525 -1.046 323 2HB TYR 41 HB1 TYR 41 -3.933 2.510 -2.540 324 HD1 TYR 41 HD1 TYR 41 -2.275 0.854 -2.958 325 HD2 TYR 41 HD2 TYR 41 -4.049 1.200 0.940 326 HE1 TYR 41 HE1 TYR 41 -1.229 -1.292 -2.293 327 HE2 TYR 41 HE2 TYR 41 -2.996 -0.944 1.608 328 HH TYR 41 HH TYR 41 -0.648 -2.250 0.541 329 H GLY 42 HN GLY 42 -5.049 5.046 -0.229 330 1HA GLY 42 HA2 GLY 42 -5.505 7.381 -0.716 331 2HA GLY 42 HA1 GLY 42 -4.482 7.253 -2.142 332 H ASP 43 HN ASP 43 -6.559 4.546 -1.781 333 HA ASP 43 HA ASP 43 -8.324 5.621 -3.938 334 1HB ASP 43 HB2 ASP 43 -8.219 2.728 -3.169 335 2HB ASP 43 HB1 ASP 43 -8.429 3.445 -4.756 336 H CYS 44 HN CYS 44 -10.620 5.028 -3.824 337 HA CYS 44 HA CYS 44 -12.699 4.883 -2.715 338 1HB CYS 44 HB2 CYS 44 -11.175 3.486 -0.512 339 2HB CYS 44 HB1 CYS 44 -12.838 3.223 -1.004 340 H CYS 45 HN CYS 45 -11.048 7.226 -2.291 341 HA CYS 45 HA CYS 45 -11.165 7.926 0.558 342 1HB CYS 45 HB2 CYS 45 -10.401 9.295 -2.028 343 2HB CYS 45 HB1 CYS 45 -10.430 10.170 -0.499 344 H HIS 46 HN HIS 46 -12.606 9.341 -2.401 345 HA HIS 46 HA HIS 46 -14.759 10.564 -0.771 346 1HB HIS 46 HB2 HIS 46 -13.481 10.939 -3.424 347 2HB HIS 46 HB1 HIS 46 -15.206 11.300 -3.363 348 HD1 HIS 46 HD1 HIS 46 -15.876 12.897 -1.176 349 HD2 HIS 46 HD2 HIS 46 -11.942 13.056 -2.550 350 HE1 HIS 46 HE1 HIS 46 -14.881 15.039 -0.259 351 H LEU 47 HN LEU 47 -15.903 8.558 -0.266 352 HA LEU 47 HA LEU 47 -17.316 7.335 -2.613 353 1HB LEU 47 HB2 LEU 47 -15.638 6.190 -0.718 354 2HB LEU 47 HB1 LEU 47 -17.246 5.824 -0.094 355 HG LEU 47 HG LEU 47 -17.649 5.229 -2.694 356 1HD1 LEU 47 HD11 LEU 47 -15.099 5.813 -2.966 357 2HD1 LEU 47 HD12 LEU 47 -15.758 4.398 -3.786 358 3HD1 LEU 47 HD13 LEU 47 -14.852 4.205 -2.285 359 1HD2 LEU 47 HD21 LEU 47 -16.306 3.369 -0.705 360 2HD2 LEU 47 HD22 LEU 47 -17.329 2.887 -2.058 361 3HD2 LEU 47 HD23 LEU 47 -18.023 3.771 -0.699 Start of MODEL 5 1 1H HIS 1 HT1 HIS 1 16.087 16.983 15.585 2 2H HIS 1 HT2 HIS 1 14.871 16.046 16.314 3 3H HIS 1 HT3 HIS 1 14.555 17.655 15.869 4 HA HIS 1 HA HIS 1 13.548 16.147 14.266 5 1HB HIS 1 HB2 HIS 1 14.623 18.407 13.738 6 2HB HIS 1 HB1 HIS 1 16.016 17.503 13.144 7 HD1 HIS 1 HD1 HIS 1 12.573 18.530 12.236 8 HD2 HIS 1 HD2 HIS 1 15.426 15.835 10.826 9 HE1 HIS 1 HE1 HIS 1 11.811 17.821 9.928 10 H SER 2 HN SER 2 13.677 14.122 13.354 11 HA SER 2 HA SER 2 16.261 12.975 12.526 12 1HB SER 2 HB2 SER 2 15.569 12.670 15.133 13 2HB SER 2 HB1 SER 2 14.737 11.280 14.441 14 HG SER 2 HG SER 2 16.603 10.362 14.124 15 H SER 3 HN SER 3 15.669 12.194 10.537 16 HA SER 3 HA SER 3 12.954 11.425 9.855 17 1HB SER 3 HB2 SER 3 15.600 10.955 8.444 18 2HB SER 3 HB1 SER 3 14.007 10.862 7.698 19 HG SER 3 HG SER 3 13.759 13.028 7.963 20 H GLY 4 HN GLY 4 12.105 9.331 9.598 21 1HA GLY 4 HA2 GLY 4 13.545 7.174 11.004 22 2HA GLY 4 HA1 GLY 4 11.859 7.126 10.493 23 H TYR 5 HN TYR 5 14.925 5.960 9.788 24 HA TYR 5 HA TYR 5 14.036 5.143 7.049 25 1HB TYR 5 HB2 TYR 5 16.265 5.584 6.227 26 2HB TYR 5 HB1 TYR 5 15.745 7.014 7.112 27 HD1 TYR 5 HD1 TYR 5 18.055 4.173 7.042 28 HD2 TYR 5 HD2 TYR 5 16.661 7.506 9.369 29 HE1 TYR 5 HE1 TYR 5 20.038 3.974 8.517 30 HE2 TYR 5 HE2 TYR 5 18.644 7.304 10.843 31 HH TYR 5 HH TYR 5 21.301 5.978 10.179 32 H THR 6 HN THR 6 14.420 2.989 6.548 33 HA THR 6 HA THR 6 16.108 1.347 8.374 34 HB THR 6 HB THR 6 13.201 0.800 7.671 35 HG1 THR 6 HG1 THR 6 13.032 2.191 9.266 36 1HG2 THR 6 HG21 THR 6 13.529 -1.001 9.454 37 2HG2 THR 6 HG22 THR 6 15.262 -0.723 9.274 38 3HG2 THR 6 HG23 THR 6 14.313 -1.296 7.902 39 H ARG 7 HN ARG 7 17.435 0.166 7.040 40 HA ARG 7 HA ARG 7 16.580 -0.352 4.244 41 1HB ARG 7 HB2 ARG 7 18.895 0.581 5.368 42 2HB ARG 7 HB1 ARG 7 19.277 -1.129 5.169 43 1HG ARG 7 HG2 ARG 7 18.062 -0.540 2.772 44 2HG ARG 7 HG1 ARG 7 18.916 0.963 3.127 45 1HD ARG 7 HD2 ARG 7 21.018 -0.057 3.060 46 2HD ARG 7 HD1 ARG 7 20.362 -1.658 3.458 47 HE ARG 7 HE ARG 7 19.484 -1.811 1.176 48 1HH1 ARG 7 HH11 ARG 7 22.464 -0.884 1.038 49 2HH1 ARG 7 HH12 ARG 7 22.357 0.277 -0.243 50 1HH2 ARG 7 HH21 ARG 7 18.886 0.468 -0.126 51 2HH2 ARG 7 HH22 ARG 7 20.321 1.046 -0.906 52 HA PRO 8 HA PRO 8 15.759 -4.554 5.506 53 1HB PRO 8 HB2 PRO 8 15.012 -5.473 3.043 54 2HB PRO 8 HB1 PRO 8 13.952 -4.483 4.065 55 1HG PRO 8 HG2 PRO 8 15.555 -3.708 1.692 56 2HG PRO 8 HG1 PRO 8 13.975 -3.122 2.231 57 1HD PRO 8 HD2 PRO 8 16.356 -1.772 2.574 58 2HD PRO 8 HD1 PRO 8 14.891 -1.507 3.544 59 H LEU 9 HN LEU 9 16.749 -6.648 5.140 60 HA LEU 9 HA LEU 9 19.495 -6.496 4.110 61 1HB LEU 9 HB2 LEU 9 18.606 -7.676 6.228 62 2HB LEU 9 HB1 LEU 9 18.006 -8.924 5.136 63 HG LEU 9 HG LEU 9 20.533 -8.719 4.210 64 1HD1 LEU 9 HD11 LEU 9 22.033 -8.548 6.218 65 2HD1 LEU 9 HD12 LEU 9 20.643 -7.994 7.153 66 3HD1 LEU 9 HD13 LEU 9 21.239 -7.028 5.803 67 1HD2 LEU 9 HD21 LEU 9 19.426 -10.788 4.953 68 2HD2 LEU 9 HD22 LEU 9 19.649 -10.315 6.638 69 3HD2 LEU 9 HD23 LEU 9 21.050 -10.686 5.633 70 H ARG 10 HN ARG 10 18.189 -6.015 1.911 71 HA ARG 10 HA ARG 10 18.658 -8.270 0.154 72 1HB ARG 10 HB2 ARG 10 16.090 -7.986 1.441 73 2HB ARG 10 HB1 ARG 10 15.894 -7.732 -0.293 74 1HG ARG 10 HG2 ARG 10 17.557 -10.040 0.671 75 2HG ARG 10 HG1 ARG 10 15.799 -10.175 0.693 76 1HD ARG 10 HD2 ARG 10 17.023 -9.112 -1.816 77 2HD ARG 10 HD1 ARG 10 17.229 -10.843 -1.485 78 HE ARG 10 HE ARG 10 14.620 -10.666 -0.989 79 1HH1 ARG 10 HH11 ARG 10 15.696 -11.258 -3.813 80 2HH1 ARG 10 HH12 ARG 10 14.732 -10.172 -4.757 81 1HH2 ARG 10 HH21 ARG 10 13.689 -8.301 -2.019 82 2HH2 ARG 10 HH22 ARG 10 13.593 -8.491 -3.738 83 H LYS 11 HN LYS 11 19.058 -7.422 -1.887 84 HA LYS 11 HA LYS 11 17.953 -4.717 -2.528 85 1HB LYS 11 HB2 LYS 11 20.762 -5.736 -2.395 86 2HB LYS 11 HB1 LYS 11 20.376 -4.561 -3.652 87 1HG LYS 11 HG2 LYS 11 19.647 -2.941 -2.045 88 2HG LYS 11 HG1 LYS 11 19.654 -4.132 -0.744 89 1HD LYS 11 HD2 LYS 11 21.666 -2.975 -0.390 90 2HD LYS 11 HD1 LYS 11 22.187 -4.388 -1.308 91 1HE LYS 11 HE2 LYS 11 21.927 -2.959 -3.418 92 2HE LYS 11 HE1 LYS 11 21.772 -1.563 -2.333 93 1HZ LYS 11 HZ1 LYS 11 23.858 -2.158 -1.291 94 2HZ LYS 11 HZ2 LYS 11 24.095 -1.974 -2.963 95 3HZ LYS 11 HZ3 LYS 11 24.006 -3.527 -2.282 96 HA PRO 12 HA PRO 12 17.188 -7.554 -6.045 97 1HB PRO 12 HB2 PRO 12 14.651 -6.669 -6.556 98 2HB PRO 12 HB1 PRO 12 15.014 -7.909 -5.342 99 1HG PRO 12 HG2 PRO 12 14.360 -5.046 -4.982 100 2HG PRO 12 HG1 PRO 12 13.991 -6.430 -3.946 101 1HD PRO 12 HD2 PRO 12 16.020 -4.587 -3.513 102 2HD PRO 12 HD1 PRO 12 15.914 -6.197 -2.773 103 H SER 13 HN SER 13 15.753 -6.556 -8.204 104 HA SER 13 HA SER 13 17.529 -4.423 -9.194 105 1HB SER 13 HB2 SER 13 16.921 -6.515 -10.452 106 2HB SER 13 HB1 SER 13 15.258 -5.940 -10.523 107 HG SER 13 HG SER 13 15.976 -5.029 -12.297 108 H ARG 14 HN ARG 14 15.760 -3.182 -11.017 109 HA ARG 14 HA ARG 14 14.664 -1.028 -9.559 110 1HB ARG 14 HB2 ARG 14 15.212 -1.235 -12.030 111 2HB ARG 14 HB1 ARG 14 13.694 -2.112 -12.221 112 1HG ARG 14 HG2 ARG 14 12.393 -0.227 -11.625 113 2HG ARG 14 HG1 ARG 14 13.775 0.607 -10.912 114 1HD ARG 14 HD2 ARG 14 13.529 1.697 -12.997 115 2HD ARG 14 HD1 ARG 14 14.770 0.479 -13.348 116 HE ARG 14 HE ARG 14 12.439 -0.898 -13.835 117 1HH1 ARG 14 HH21 ARG 14 11.092 1.708 -14.392 118 2HH1 ARG 14 HH22 ARG 14 11.384 1.925 -16.085 119 1HH2 ARG 14 HH11 ARG 14 13.940 -0.426 -16.214 120 2HH2 ARG 14 HH12 ARG 14 13.002 0.713 -17.120 121 HA PRO 15 HA PRO 15 11.072 -3.090 -7.860 122 1HB PRO 15 HB2 PRO 15 10.034 -0.891 -6.603 123 2HB PRO 15 HB1 PRO 15 11.399 -1.824 -5.957 124 1HG PRO 15 HG2 PRO 15 11.404 0.754 -7.445 125 2HG PRO 15 HG1 PRO 15 12.399 0.241 -6.073 126 1HD PRO 15 HD2 PRO 15 13.294 0.262 -8.644 127 2HD PRO 15 HD1 PRO 15 13.905 -0.855 -7.403 128 H ILE 16 HN ILE 16 8.700 -2.814 -8.034 129 HA ILE 16 HA ILE 16 7.880 -1.943 -10.688 130 HB ILE 16 HB ILE 16 6.294 -2.871 -8.265 131 1HG1 ILE 16 HG12 ILE 16 6.736 -4.784 -10.434 132 2HG1 ILE 16 HG11 ILE 16 8.246 -4.263 -9.690 133 1HG2 ILE 16 HG21 ILE 16 4.776 -3.720 -10.199 134 2HG2 ILE 16 HG22 ILE 16 5.633 -2.537 -11.187 135 3HG2 ILE 16 HG23 ILE 16 4.711 -2.008 -9.779 136 1HD1 ILE 16 HD11 ILE 16 7.404 -6.200 -8.481 137 2HD1 ILE 16 HD12 ILE 16 5.837 -5.420 -8.259 138 3HD1 ILE 16 HD13 ILE 16 7.265 -4.778 -7.447 139 H PHE 17 HN PHE 17 5.950 -0.447 -10.960 140 HA PHE 17 HA PHE 17 6.413 2.160 -9.967 141 1HB PHE 17 HB2 PHE 17 4.006 0.753 -11.146 142 2HB PHE 17 HB1 PHE 17 4.004 2.481 -10.806 143 HD1 PHE 17 HD1 PHE 17 5.014 -0.091 -13.114 144 HD2 PHE 17 HD2 PHE 17 5.850 3.929 -11.848 145 HE1 PHE 17 HE1 PHE 17 6.208 0.333 -15.245 146 HE2 PHE 17 HE2 PHE 17 7.046 4.351 -13.980 147 HZ PHE 17 HZ PHE 17 7.225 2.552 -15.677 148 H ILE 18 HN ILE 18 5.273 3.415 -8.386 149 HA ILE 18 HA ILE 18 4.625 2.053 -5.927 150 HB ILE 18 HB ILE 18 4.147 4.316 -5.127 151 1HG1 ILE 18 HG12 ILE 18 4.224 5.101 -8.059 152 2HG1 ILE 18 HG11 ILE 18 2.783 5.065 -7.047 153 1HG2 ILE 18 HG21 ILE 18 6.288 5.184 -5.401 154 2HG2 ILE 18 HG22 ILE 18 6.362 4.741 -7.106 155 3HG2 ILE 18 HG23 ILE 18 6.542 3.502 -5.865 156 1HD1 ILE 18 HD11 ILE 18 4.126 6.664 -5.485 157 2HD1 ILE 18 HD12 ILE 18 3.419 7.325 -6.959 158 3HD1 ILE 18 HD13 ILE 18 5.139 6.936 -6.903 159 H ARG 19 HN ARG 19 2.493 2.494 -4.774 160 HA ARG 19 HA ARG 19 0.245 1.884 -6.614 161 1HB ARG 19 HB2 ARG 19 -0.587 0.588 -4.880 162 2HB ARG 19 HB1 ARG 19 1.130 0.517 -4.504 163 1HG ARG 19 HG2 ARG 19 -0.710 2.607 -3.311 164 2HG ARG 19 HG1 ARG 19 -0.422 1.047 -2.549 165 1HD ARG 19 HD2 ARG 19 2.070 1.570 -2.650 166 2HD ARG 19 HD1 ARG 19 1.612 3.225 -3.099 167 HE ARG 19 HE ARG 19 0.725 1.897 -0.560 168 1HH1 ARG 19 HH21 ARG 19 -0.723 4.367 -1.660 169 2HH1 ARG 19 HH22 ARG 19 0.038 5.626 -0.749 170 1HH2 ARG 19 HH11 ARG 19 2.695 3.631 0.276 171 2HH2 ARG 19 HH12 ARG 19 1.981 5.206 0.360 172 HA PRO 20 HA PRO 20 -1.643 5.784 -5.918 173 1HB PRO 20 HB2 PRO 20 -4.288 5.088 -6.111 174 2HB PRO 20 HB1 PRO 20 -3.200 5.200 -7.509 175 1HG PRO 20 HG2 PRO 20 -4.118 2.796 -6.016 176 2HG PRO 20 HG1 PRO 20 -3.864 3.017 -7.752 177 1HD PRO 20 HD2 PRO 20 -2.090 1.730 -6.138 178 2HD PRO 20 HD1 PRO 20 -1.621 2.599 -7.613 179 H ILE 21 HN ILE 21 -3.525 6.774 -4.557 180 HA ILE 21 HA ILE 21 -3.117 5.983 -1.759 181 HB ILE 21 HB ILE 21 -4.099 8.295 -3.357 182 1HG1 ILE 21 HG12 ILE 21 -1.780 7.986 -2.389 183 2HG1 ILE 21 HG11 ILE 21 -2.576 9.495 -1.964 184 1HG2 ILE 21 HG21 ILE 21 -4.906 7.917 -0.456 185 2HG2 ILE 21 HG22 ILE 21 -6.007 7.957 -1.833 186 3HG2 ILE 21 HG23 ILE 21 -5.096 9.400 -1.390 187 1HD1 ILE 21 HD11 ILE 21 -1.401 8.069 -0.087 188 2HD1 ILE 21 HD12 ILE 21 -2.888 7.124 -0.152 189 3HD1 ILE 21 HD13 ILE 21 -2.952 8.841 0.243 190 H GLY 22 HN GLY 22 -5.065 5.972 -0.296 191 1HA GLY 22 HA2 GLY 22 -7.455 5.591 0.029 192 2HA GLY 22 HA1 GLY 22 -7.523 4.898 -1.587 193 H CYS 23 HN CYS 23 -5.808 2.980 -1.764 194 HA CYS 23 HA CYS 23 -6.735 0.876 -0.024 195 1HB CYS 23 HB2 CYS 23 -4.725 1.245 -2.205 196 2HB CYS 23 HB1 CYS 23 -4.652 -0.235 -1.261 197 H ASP 24 HN ASP 24 -3.913 2.985 0.077 198 HA ASP 24 HA ASP 24 -2.526 1.365 2.096 199 1HB ASP 24 HB2 ASP 24 -1.782 3.170 0.209 200 2HB ASP 24 HB1 ASP 24 -1.818 4.209 1.632 201 H VAL 25 HN VAL 25 -5.318 2.948 2.426 202 HA VAL 25 HA VAL 25 -4.728 3.819 5.201 203 HB VAL 25 HB VAL 25 -6.462 5.380 3.257 204 1HG1 VAL 25 HG11 VAL 25 -7.045 6.084 5.393 205 2HG1 VAL 25 HG12 VAL 25 -5.715 7.187 5.040 206 3HG1 VAL 25 HG13 VAL 25 -5.439 5.768 6.049 207 1HG2 VAL 25 HG21 VAL 25 -4.456 7.007 3.295 208 2HG2 VAL 25 HG22 VAL 25 -4.297 5.568 2.288 209 3HG2 VAL 25 HG23 VAL 25 -3.509 5.633 3.864 210 H CYS 26 HN CYS 26 -5.745 1.463 5.062 211 HA CYS 26 HA CYS 26 -8.396 0.865 4.441 212 1HB CYS 26 HB2 CYS 26 -6.584 0.044 6.720 213 2HB CYS 26 HB1 CYS 26 -8.155 -0.708 6.472 214 H TYR 27 HN TYR 27 -7.215 2.863 7.081 215 HA TYR 27 HA TYR 27 -9.962 3.008 8.240 216 1HB TYR 27 HB2 TYR 27 -7.350 4.055 9.362 217 2HB TYR 27 HB1 TYR 27 -8.849 3.770 10.238 218 HD1 TYR 27 HD1 TYR 27 -5.704 2.381 9.308 219 HD2 TYR 27 HD2 TYR 27 -9.768 1.314 10.207 220 HE1 TYR 27 HE1 TYR 27 -4.990 0.053 9.779 221 HE2 TYR 27 HE2 TYR 27 -9.052 -1.013 10.677 222 HH TYR 27 HH TYR 27 -6.474 -2.020 11.467 223 H GLY 28 HN GLY 28 -11.138 4.809 7.788 224 1HA GLY 28 HA2 GLY 28 -11.230 7.294 7.841 225 2HA GLY 28 HA1 GLY 28 -9.683 7.300 6.999 226 H ILE 29 HN ILE 29 -10.541 5.058 5.203 227 HA ILE 29 HA ILE 29 -11.857 6.723 3.186 228 HB ILE 29 HB ILE 29 -11.427 4.801 1.726 229 1HG1 ILE 29 HG12 ILE 29 -10.533 3.344 4.237 230 2HG1 ILE 29 HG11 ILE 29 -12.058 3.049 3.401 231 1HG2 ILE 29 HG21 ILE 29 -9.550 6.306 2.256 232 2HG2 ILE 29 HG22 ILE 29 -8.987 4.654 2.004 233 3HG2 ILE 29 HG23 ILE 29 -9.129 5.299 3.640 234 1HD1 ILE 29 HD11 ILE 29 -9.254 2.584 2.364 235 2HD1 ILE 29 HD12 ILE 29 -10.662 2.615 1.302 236 3HD1 ILE 29 HD13 ILE 29 -10.543 1.399 2.574 237 HA PRO 30 HA PRO 30 -15.947 5.280 3.698 238 1HB PRO 30 HB2 PRO 30 -16.825 5.156 1.103 239 2HB PRO 30 HB1 PRO 30 -16.591 6.672 1.995 240 1HG PRO 30 HG2 PRO 30 -14.902 5.420 -0.079 241 2HG PRO 30 HG1 PRO 30 -15.157 7.126 0.291 242 1HD PRO 30 HD2 PRO 30 -12.919 5.660 1.010 243 2HD PRO 30 HD1 PRO 30 -13.428 7.182 1.764 244 H SER 31 HN SER 31 -17.336 3.443 3.486 245 HA SER 31 HA SER 31 -16.123 0.891 3.481 246 1HB SER 31 HB2 SER 31 -18.346 1.639 4.429 247 2HB SER 31 HB1 SER 31 -18.995 1.580 2.795 248 HG SER 31 HG SER 31 -18.810 -0.570 2.783 249 H SER 32 HN SER 32 -17.859 2.559 0.837 250 HA SER 32 HA SER 32 -17.824 0.398 -1.035 251 1HB SER 32 HB2 SER 32 -19.025 2.736 -0.990 252 2HB SER 32 HB1 SER 32 -17.576 3.296 -1.821 253 HG SER 32 HG SER 32 -19.419 2.473 -3.134 254 H THR 33 HN THR 33 -15.503 3.090 -0.557 255 HA THR 33 HA THR 33 -13.698 2.266 -2.657 256 HB THR 33 HB THR 33 -13.272 3.839 -0.095 257 HG1 THR 33 HG1 THR 33 -13.678 4.764 -2.745 258 1HG2 THR 33 HG21 THR 33 -11.474 4.848 -1.849 259 2HG2 THR 33 HG22 THR 33 -11.498 3.165 -2.376 260 3HG2 THR 33 HG23 THR 33 -11.088 3.560 -0.707 261 H ALA 34 HN ALA 34 -13.883 1.588 0.834 262 HA ALA 34 HA ALA 34 -11.461 0.100 1.092 263 1HB ALA 34 HB1 ALA 34 -14.125 -0.129 2.535 264 2HB ALA 34 HB2 ALA 34 -12.819 0.977 2.958 265 3HB ALA 34 HB3 ALA 34 -12.592 -0.764 3.133 266 H ARG 35 HN ARG 35 -14.778 -0.938 0.226 267 HA ARG 35 HA ARG 35 -14.241 -3.758 0.128 268 1HB ARG 35 HB2 ARG 35 -16.241 -1.948 -1.268 269 2HB ARG 35 HB1 ARG 35 -16.274 -3.702 -1.430 270 1HG ARG 35 HG2 ARG 35 -16.031 -2.941 1.361 271 2HG ARG 35 HG1 ARG 35 -17.447 -2.190 0.627 272 1HD ARG 35 HD2 ARG 35 -18.550 -4.167 0.655 273 2HD ARG 35 HD1 ARG 35 -17.240 -4.943 -0.255 274 HE ARG 35 HE ARG 35 -16.043 -5.190 1.963 275 1HH1 ARG 35 HH11 ARG 35 -18.295 -3.433 3.263 276 2HH1 ARG 35 HH12 ARG 35 -19.116 -4.648 4.183 277 1HH2 ARG 35 HH21 ARG 35 -17.582 -7.302 2.537 278 2HH2 ARG 35 HH22 ARG 35 -18.711 -6.850 3.770 279 H LEU 36 HN LEU 36 -14.047 -1.217 -2.377 280 HA LEU 36 HA LEU 36 -13.294 -2.951 -4.552 281 1HB LEU 36 HB2 LEU 36 -14.095 -0.419 -4.359 282 2HB LEU 36 HB1 LEU 36 -12.360 -0.107 -4.322 283 HG LEU 36 HG LEU 36 -13.462 -1.946 -6.423 284 1HD1 LEU 36 HD11 LEU 36 -13.689 1.065 -6.346 285 2HD1 LEU 36 HD12 LEU 36 -14.930 -0.119 -6.757 286 3HD1 LEU 36 HD13 LEU 36 -13.600 0.188 -7.874 287 1HD2 LEU 36 HD21 LEU 36 -11.064 -0.197 -5.985 288 2HD2 LEU 36 HD22 LEU 36 -11.571 -0.534 -7.640 289 3HD2 LEU 36 HD23 LEU 36 -11.142 -1.861 -6.562 290 H CYS 37 HN CYS 37 -11.430 -1.133 -2.124 291 HA CYS 37 HA CYS 37 -8.805 -1.609 -3.164 292 1HB CYS 37 HB2 CYS 37 -10.115 -0.713 -0.677 293 2HB CYS 37 HB1 CYS 37 -8.546 -1.467 -0.428 294 H CYS 38 HN CYS 38 -10.982 -3.616 -1.237 295 HA CYS 38 HA CYS 38 -8.900 -5.604 -0.601 296 1HB CYS 38 HB2 CYS 38 -10.663 -5.116 1.001 297 2HB CYS 38 HB1 CYS 38 -11.906 -5.422 -0.207 298 H PHE 39 HN PHE 39 -11.663 -5.226 -2.790 299 HA PHE 39 HA PHE 39 -11.619 -7.896 -3.883 300 1HB PHE 39 HB2 PHE 39 -13.625 -6.683 -4.089 301 2HB PHE 39 HB1 PHE 39 -12.795 -5.217 -4.601 302 HD1 PHE 39 HD1 PHE 39 -13.668 -8.681 -5.675 303 HD2 PHE 39 HD2 PHE 39 -12.427 -4.755 -6.900 304 HE1 PHE 39 HE1 PHE 39 -14.018 -9.311 -8.047 305 HE2 PHE 39 HE2 PHE 39 -12.777 -5.385 -9.272 306 HZ PHE 39 HZ PHE 39 -13.572 -7.663 -9.846 307 H ARG 40 HN ARG 40 -10.082 -4.834 -4.858 308 HA ARG 40 HA ARG 40 -8.902 -6.167 -7.237 309 1HB ARG 40 HB2 ARG 40 -9.498 -3.411 -6.311 310 2HB ARG 40 HB1 ARG 40 -8.075 -3.589 -7.332 311 1HG ARG 40 HG2 ARG 40 -10.444 -5.082 -8.267 312 2HG ARG 40 HG1 ARG 40 -10.626 -3.328 -8.288 313 1HD ARG 40 HD2 ARG 40 -9.604 -3.569 -10.346 314 2HD ARG 40 HD1 ARG 40 -8.133 -3.540 -9.354 315 HE ARG 40 HE ARG 40 -8.860 -6.190 -9.254 316 1HH1 ARG 40 HH21 ARG 40 -10.259 -5.733 -11.880 317 2HH1 ARG 40 HH22 ARG 40 -9.010 -6.106 -13.020 318 1HH2 ARG 40 HH11 ARG 40 -6.453 -5.889 -10.670 319 2HH2 ARG 40 HH12 ARG 40 -6.841 -6.194 -12.331 320 H TYR 41 HN TYR 41 -7.665 -4.039 -4.603 321 HA TYR 41 HA TYR 41 -4.918 -4.901 -5.126 322 1HB TYR 41 HB2 TYR 41 -6.251 -3.150 -3.055 323 2HB TYR 41 HB1 TYR 41 -4.511 -3.407 -3.121 324 HD1 TYR 41 HD1 TYR 41 -3.146 -2.355 -4.786 325 HD2 TYR 41 HD2 TYR 41 -7.427 -2.040 -4.961 326 HE1 TYR 41 HE1 TYR 41 -2.945 -0.594 -6.519 327 HE2 TYR 41 HE2 TYR 41 -7.226 -0.282 -6.698 328 HH TYR 41 HH TYR 41 -4.928 0.228 -8.541 329 H GLY 42 HN GLY 42 -7.362 -5.520 -2.629 330 1HA GLY 42 HA2 GLY 42 -7.443 -7.638 -1.447 331 2HA GLY 42 HA1 GLY 42 -5.712 -7.814 -1.702 332 H ASP 43 HN ASP 43 -6.570 -4.633 -0.751 333 HA ASP 43 HA ASP 43 -5.558 -5.188 2.003 334 1HB ASP 43 HB2 ASP 43 -5.845 -2.439 0.835 335 2HB ASP 43 HB1 ASP 43 -4.633 -3.046 1.947 336 H CYS 44 HN CYS 44 -6.599 -4.007 3.779 337 HA CYS 44 HA CYS 44 -8.483 -3.302 5.016 338 1HB CYS 44 HB2 CYS 44 -9.583 -2.401 2.344 339 2HB CYS 44 HB1 CYS 44 -9.913 -1.712 3.924 340 H CYS 45 HN CYS 45 -8.390 -6.007 4.061 341 HA CYS 45 HA CYS 45 -11.098 -6.681 3.085 342 1HB CYS 45 HB2 CYS 45 -8.550 -8.188 3.717 343 2HB CYS 45 HB1 CYS 45 -10.035 -9.017 3.262 344 H HIS 46 HN HIS 46 -9.046 -7.776 5.810 345 HA HIS 46 HA HIS 46 -11.463 -8.518 7.353 346 1HB HIS 46 HB2 HIS 46 -8.474 -8.873 7.746 347 2HB HIS 46 HB1 HIS 46 -9.680 -9.465 8.887 348 HD1 HIS 46 HD1 HIS 46 -7.950 -10.368 5.795 349 HD2 HIS 46 HD2 HIS 46 -11.553 -11.404 7.620 350 HE1 HIS 46 HE1 HIS 46 -8.746 -12.488 4.660 351 H LEU 47 HN LEU 47 -12.193 -6.285 7.753 352 HA LEU 47 HA LEU 47 -10.548 -4.862 9.821 353 1HB LEU 47 HB2 LEU 47 -11.032 -3.990 7.318 354 2HB LEU 47 HB1 LEU 47 -12.502 -3.405 8.097 355 HG LEU 47 HG LEU 47 -9.813 -2.907 9.360 356 1HD1 LEU 47 HD11 LEU 47 -9.802 -0.704 8.176 357 2HD1 LEU 47 HD12 LEU 47 -11.155 -1.263 7.191 358 3HD1 LEU 47 HD13 LEU 47 -9.590 -2.069 7.079 359 1HD2 LEU 47 HD21 LEU 47 -12.536 -1.575 9.415 360 2HD2 LEU 47 HD22 LEU 47 -11.100 -0.869 10.157 361 3HD2 LEU 47 HD23 LEU 47 -11.726 -2.410 10.740 Start of MODEL 6 1 1H HIS 1 HT1 HIS 1 -11.568 5.754 14.773 2 2H HIS 1 HT2 HIS 1 -10.485 6.806 13.996 3 3H HIS 1 HT3 HIS 1 -10.054 5.185 14.267 4 HA HIS 1 HA HIS 1 -12.328 6.012 12.533 5 1HB HIS 1 HB2 HIS 1 -10.791 5.744 10.679 6 2HB HIS 1 HB1 HIS 1 -10.042 6.845 11.833 7 HD1 HIS 1 HD1 HIS 1 -7.914 6.045 13.039 8 HD2 HIS 1 HD2 HIS 1 -9.592 3.125 10.579 9 HE1 HIS 1 HE1 HIS 1 -6.218 4.170 12.891 10 H SER 2 HN SER 2 -12.740 4.127 10.970 11 HA SER 2 HA SER 2 -12.888 1.615 12.523 12 1HB SER 2 HB2 SER 2 -14.730 2.769 11.104 13 2HB SER 2 HB1 SER 2 -13.869 2.125 9.709 14 HG SER 2 HG SER 2 -15.609 0.880 11.214 15 H SER 3 HN SER 3 -11.175 0.215 12.374 16 HA SER 3 HA SER 3 -9.302 0.318 10.110 17 1HB SER 3 HB2 SER 3 -9.529 -1.404 12.597 18 2HB SER 3 HB1 SER 3 -8.169 -1.461 11.480 19 HG SER 3 HG SER 3 -7.521 0.465 12.152 20 H GLY 4 HN GLY 4 -10.342 -0.501 8.259 21 1HA GLY 4 HA2 GLY 4 -10.336 -3.162 7.598 22 2HA GLY 4 HA1 GLY 4 -11.915 -2.963 8.360 23 H TYR 5 HN TYR 5 -13.247 -3.109 6.546 24 HA TYR 5 HA TYR 5 -12.646 -1.797 4.029 25 1HB TYR 5 HB2 TYR 5 -14.709 -2.742 3.342 26 2HB TYR 5 HB1 TYR 5 -14.127 -3.861 4.569 27 HD1 TYR 5 HD1 TYR 5 -16.710 -1.465 3.655 28 HD2 TYR 5 HD2 TYR 5 -15.082 -3.770 6.896 29 HE1 TYR 5 HE1 TYR 5 -18.790 -1.109 4.957 30 HE2 TYR 5 HE2 TYR 5 -17.162 -3.410 8.196 31 HH TYR 5 HH TYR 5 -19.195 -1.191 7.832 32 H THR 6 HN THR 6 -13.086 0.297 3.441 33 HA THR 6 HA THR 6 -15.080 1.873 4.999 34 HB THR 6 HB THR 6 -12.220 2.748 4.462 35 HG1 THR 6 HG1 THR 6 -11.918 1.365 6.049 36 1HG2 THR 6 HG21 THR 6 -13.455 4.708 4.713 37 2HG2 THR 6 HG22 THR 6 -12.980 4.376 6.378 38 3HG2 THR 6 HG23 THR 6 -14.603 3.963 5.825 39 H ARG 7 HN ARG 7 -16.326 3.033 3.582 40 HA ARG 7 HA ARG 7 -17.071 4.033 1.583 41 1HB ARG 7 HB2 ARG 7 -15.017 5.393 2.403 42 2HB ARG 7 HB1 ARG 7 -14.152 4.605 1.085 43 1HG ARG 7 HG2 ARG 7 -16.062 5.400 -0.434 44 2HG ARG 7 HG1 ARG 7 -16.546 6.439 0.906 45 1HD ARG 7 HD2 ARG 7 -14.864 7.909 0.490 46 2HD ARG 7 HD1 ARG 7 -13.669 6.606 0.345 47 HE ARG 7 HE ARG 7 -15.519 6.710 -1.915 48 1HH1 ARG 7 HH11 ARG 7 -14.271 9.444 -1.774 49 2HH1 ARG 7 HH12 ARG 7 -12.842 9.238 -2.731 50 1HH2 ARG 7 HH21 ARG 7 -12.952 5.764 -2.610 51 2HH2 ARG 7 HH22 ARG 7 -12.092 7.143 -3.207 52 HA PRO 8 HA PRO 8 -15.783 0.311 -0.829 53 1HB PRO 8 HB2 PRO 8 -18.335 -0.424 -1.501 54 2HB PRO 8 HB1 PRO 8 -17.542 -0.927 0.005 55 1HG PRO 8 HG2 PRO 8 -19.538 1.232 -0.453 56 2HG PRO 8 HG1 PRO 8 -19.381 0.108 0.906 57 1HD PRO 8 HD2 PRO 8 -18.553 2.704 0.997 58 2HD PRO 8 HD1 PRO 8 -17.822 1.411 1.970 59 H LEU 9 HN LEU 9 -15.770 0.103 -3.118 60 HA LEU 9 HA LEU 9 -17.207 2.175 -4.706 61 1HB LEU 9 HB2 LEU 9 -14.742 2.682 -3.888 62 2HB LEU 9 HB1 LEU 9 -14.297 1.585 -5.192 63 HG LEU 9 HG LEU 9 -14.353 4.022 -5.853 64 1HD1 LEU 9 HD11 LEU 9 -16.493 2.680 -7.441 65 2HD1 LEU 9 HD12 LEU 9 -14.935 1.863 -7.323 66 3HD1 LEU 9 HD13 LEU 9 -15.028 3.493 -7.989 67 1HD2 LEU 9 HD21 LEU 9 -16.320 5.257 -5.846 68 2HD2 LEU 9 HD22 LEU 9 -16.559 4.276 -4.400 69 3HD2 LEU 9 HD23 LEU 9 -17.345 3.824 -5.912 70 H ARG 10 HN ARG 10 -17.995 1.307 -6.605 71 HA ARG 10 HA ARG 10 -17.697 -1.514 -7.181 72 1HB ARG 10 HB2 ARG 10 -19.678 0.036 -7.615 73 2HB ARG 10 HB1 ARG 10 -18.760 0.694 -8.969 74 1HG ARG 10 HG2 ARG 10 -18.510 -1.888 -9.588 75 2HG ARG 10 HG1 ARG 10 -20.002 -2.008 -8.654 76 1HD ARG 10 HD2 ARG 10 -21.113 -0.397 -10.090 77 2HD ARG 10 HD1 ARG 10 -19.597 -0.055 -10.948 78 HE ARG 10 HE ARG 10 -19.681 -2.649 -11.431 79 1HH1 ARG 10 HH21 ARG 10 -21.027 -0.974 -13.473 80 2HH1 ARG 10 HH22 ARG 10 -22.619 -1.653 -13.539 81 1HH2 ARG 10 HH11 ARG 10 -22.311 -3.327 -10.507 82 2HH2 ARG 10 HH12 ARG 10 -23.349 -2.991 -11.852 83 H LYS 11 HN LYS 11 -15.443 -1.874 -7.548 84 HA LYS 11 HA LYS 11 -14.475 -1.000 -10.223 85 1HB LYS 11 HB2 LYS 11 -13.723 0.535 -8.330 86 2HB LYS 11 HB1 LYS 11 -12.820 -0.837 -7.689 87 1HG LYS 11 HG2 LYS 11 -11.399 -0.931 -9.584 88 2HG LYS 11 HG1 LYS 11 -12.476 0.083 -10.545 89 1HD LYS 11 HD2 LYS 11 -10.752 1.565 -9.917 90 2HD LYS 11 HD1 LYS 11 -12.028 1.900 -8.747 91 1HE LYS 11 HE2 LYS 11 -10.145 1.673 -7.352 92 2HE LYS 11 HE1 LYS 11 -10.802 0.025 -7.327 93 1HZ LYS 11 HZ1 LYS 11 -8.487 -0.094 -7.892 94 2HZ LYS 11 HZ2 LYS 11 -8.669 1.065 -9.121 95 3HZ LYS 11 HZ3 LYS 11 -9.387 -0.466 -9.280 96 HA PRO 12 HA PRO 12 -13.530 -5.386 -9.744 97 1HB PRO 12 HB2 PRO 12 -13.449 -5.946 -12.417 98 2HB PRO 12 HB1 PRO 12 -14.964 -5.822 -11.502 99 1HG PRO 12 HG2 PRO 12 -13.740 -3.914 -13.392 100 2HG PRO 12 HG1 PRO 12 -15.443 -4.198 -13.012 101 1HD PRO 12 HD2 PRO 12 -13.872 -2.089 -12.071 102 2HD PRO 12 HD1 PRO 12 -15.451 -2.585 -11.433 103 H SER 13 HN SER 13 -11.761 -6.761 -10.902 104 HA SER 13 HA SER 13 -9.449 -7.120 -11.183 105 1HB SER 13 HB2 SER 13 -10.507 -5.706 -13.237 106 2HB SER 13 HB1 SER 13 -9.265 -4.578 -12.710 107 HG SER 13 HG SER 13 -8.906 -6.616 -14.241 108 H ARG 14 HN ARG 14 -10.252 -5.459 -8.839 109 HA ARG 14 HA ARG 14 -7.681 -4.632 -7.900 110 1HB ARG 14 HB2 ARG 14 -8.966 -2.830 -9.690 111 2HB ARG 14 HB1 ARG 14 -9.078 -2.114 -8.084 112 1HG ARG 14 HG2 ARG 14 -6.811 -1.828 -7.900 113 2HG ARG 14 HG1 ARG 14 -6.449 -3.296 -8.808 114 1HD ARG 14 HD2 ARG 14 -7.450 -1.938 -10.846 115 2HD ARG 14 HD1 ARG 14 -7.037 -0.534 -9.841 116 HE ARG 14 HE ARG 14 -4.713 -1.190 -9.930 117 1HH1 ARG 14 HH21 ARG 14 -4.888 -4.122 -9.839 118 2HH1 ARG 14 HH22 ARG 14 -4.502 -4.595 -11.460 119 1HH2 ARG 14 HH11 ARG 14 -5.079 -1.437 -12.795 120 2HH2 ARG 14 HH12 ARG 14 -4.612 -3.068 -13.141 121 HA PRO 15 HA PRO 15 -10.166 -4.740 -4.235 122 1HB PRO 15 HB2 PRO 15 -8.418 -3.597 -2.471 123 2HB PRO 15 HB1 PRO 15 -8.228 -5.250 -3.086 124 1HG PRO 15 HG2 PRO 15 -6.827 -2.758 -3.896 125 2HG PRO 15 HG1 PRO 15 -6.207 -4.410 -3.762 126 1HD PRO 15 HD2 PRO 15 -6.878 -3.208 -6.132 127 2HD PRO 15 HD1 PRO 15 -6.873 -4.965 -5.871 128 H ILE 16 HN ILE 16 -11.282 -3.292 -2.749 129 HA ILE 16 HA ILE 16 -12.148 -0.805 -3.853 130 HB ILE 16 HB ILE 16 -12.240 -2.035 -1.081 131 1HG1 ILE 16 HG12 ILE 16 -14.488 -1.631 -3.064 132 2HG1 ILE 16 HG11 ILE 16 -13.457 -3.061 -3.109 133 1HG2 ILE 16 HG21 ILE 16 -13.610 0.466 -2.116 134 2HG2 ILE 16 HG22 ILE 16 -12.470 0.362 -0.775 135 3HG2 ILE 16 HG23 ILE 16 -14.067 -0.368 -0.631 136 1HD1 ILE 16 HD11 ILE 16 -15.223 -3.766 -1.740 137 2HD1 ILE 16 HD12 ILE 16 -15.381 -2.189 -0.967 138 3HD1 ILE 16 HD13 ILE 16 -14.023 -3.238 -0.560 139 H PHE 17 HN PHE 17 -11.619 1.376 -3.239 140 HA PHE 17 HA PHE 17 -10.216 3.144 -2.555 141 1HB PHE 17 HB2 PHE 17 -10.773 2.314 -0.342 142 2HB PHE 17 HB1 PHE 17 -9.587 1.020 -0.476 143 HD1 PHE 17 HD1 PHE 17 -9.891 4.756 -0.460 144 HD2 PHE 17 HD2 PHE 17 -7.384 1.342 0.258 145 HE1 PHE 17 HE1 PHE 17 -8.151 6.235 0.509 146 HE2 PHE 17 HE2 PHE 17 -5.645 2.822 1.223 147 HZ PHE 17 HZ PHE 17 -6.028 5.268 1.350 148 H ILE 18 HN ILE 18 -7.867 3.774 -2.464 149 HA ILE 18 HA ILE 18 -6.310 2.399 -4.483 150 HB ILE 18 HB ILE 18 -4.641 4.145 -3.934 151 1HG1 ILE 18 HG12 ILE 18 -6.508 5.099 -1.759 152 2HG1 ILE 18 HG11 ILE 18 -5.197 3.975 -1.405 153 1HG2 ILE 18 HG21 ILE 18 -7.425 5.327 -3.829 154 2HG2 ILE 18 HG22 ILE 18 -6.726 4.637 -5.294 155 3HG2 ILE 18 HG23 ILE 18 -5.976 6.042 -4.537 156 1HD1 ILE 18 HD11 ILE 18 -4.295 6.150 -1.018 157 2HD1 ILE 18 HD12 ILE 18 -4.987 6.780 -2.513 158 3HD1 ILE 18 HD13 ILE 18 -3.645 5.638 -2.576 159 H ARG 19 HN ARG 19 -3.754 2.245 -3.692 160 HA ARG 19 HA ARG 19 -3.573 -0.181 -2.218 161 1HB ARG 19 HB2 ARG 19 -1.325 -0.020 -2.755 162 2HB ARG 19 HB1 ARG 19 -1.970 1.159 -3.889 163 1HG ARG 19 HG2 ARG 19 -0.627 2.716 -2.960 164 2HG ARG 19 HG1 ARG 19 -1.535 2.558 -1.463 165 1HD ARG 19 HD2 ARG 19 0.734 2.094 -0.864 166 2HD ARG 19 HD1 ARG 19 -0.041 0.503 -0.974 167 HE ARG 19 HE ARG 19 1.392 0.056 -2.792 168 1HH1 ARG 19 HH21 ARG 19 2.102 3.174 -1.879 169 2HH1 ARG 19 HH22 ARG 19 2.589 3.730 -3.444 170 1HH2 ARG 19 HH11 ARG 19 1.494 0.876 -5.092 171 2HH2 ARG 19 HH12 ARG 19 2.250 2.424 -5.265 172 HA PRO 20 HA PRO 20 -3.707 1.079 1.981 173 1HB PRO 20 HB2 PRO 20 -1.984 -0.737 3.108 174 2HB PRO 20 HB1 PRO 20 -3.627 -1.145 2.569 175 1HG PRO 20 HG2 PRO 20 -1.021 -1.603 1.204 176 2HG PRO 20 HG1 PRO 20 -2.444 -2.649 1.299 177 1HD PRO 20 HD2 PRO 20 -1.860 -1.164 -0.893 178 2HD PRO 20 HD1 PRO 20 -3.520 -1.569 -0.414 179 H ILE 21 HN ILE 21 -2.221 1.699 3.850 180 HA ILE 21 HA ILE 21 -0.248 3.616 2.948 181 HB ILE 21 HB ILE 21 -1.550 2.702 5.473 182 1HG1 ILE 21 HG12 ILE 21 -2.402 4.533 3.988 183 2HG1 ILE 21 HG11 ILE 21 -2.096 5.047 5.643 184 1HG2 ILE 21 HG21 ILE 21 0.971 4.392 5.482 185 2HG2 ILE 21 HG22 ILE 21 0.822 2.767 6.152 186 3HG2 ILE 21 HG23 ILE 21 -0.077 4.103 6.869 187 1HD1 ILE 21 HD11 ILE 21 -1.162 6.380 3.462 188 2HD1 ILE 21 HD12 ILE 21 0.204 5.317 3.796 189 3HD1 ILE 21 HD13 ILE 21 -0.377 6.424 5.040 190 H GLY 22 HN GLY 22 1.960 3.678 3.958 191 1HA GLY 22 HA2 GLY 22 3.887 2.509 4.896 192 2HA GLY 22 HA1 GLY 22 3.156 0.986 4.392 193 H CYS 23 HN CYS 23 2.656 1.060 1.878 194 HA CYS 23 HA CYS 23 5.179 1.131 0.495 195 1HB CYS 23 HB2 CYS 23 2.279 0.797 -0.193 196 2HB CYS 23 HB1 CYS 23 3.449 0.934 -1.496 197 H ASP 24 HN ASP 24 2.554 3.465 0.808 198 HA ASP 24 HA ASP 24 3.588 5.226 -1.299 199 1HB ASP 24 HB2 ASP 24 1.182 4.769 0.056 200 2HB ASP 24 HB1 ASP 24 1.691 6.361 0.606 201 H VAL 25 HN VAL 25 4.992 4.517 1.516 202 HA VAL 25 HA VAL 25 5.993 7.277 1.950 203 HB VAL 25 HB VAL 25 5.278 5.346 4.182 204 1HG1 VAL 25 HG11 VAL 25 6.762 6.931 5.050 205 2HG1 VAL 25 HG12 VAL 25 5.200 7.681 5.377 206 3HG1 VAL 25 HG13 VAL 25 6.163 8.214 3.998 207 1HG2 VAL 25 HG21 VAL 25 3.162 5.833 3.202 208 2HG2 VAL 25 HG22 VAL 25 3.613 7.505 2.868 209 3HG2 VAL 25 HG23 VAL 25 3.317 6.986 4.528 210 H CYS 26 HN CYS 26 7.518 5.826 0.467 211 HA CYS 26 HA CYS 26 9.126 3.727 1.346 212 1HB CYS 26 HB2 CYS 26 9.693 6.182 -0.328 213 2HB CYS 26 HB1 CYS 26 10.864 4.879 -0.164 214 H TYR 27 HN TYR 27 9.220 7.068 2.425 215 HA TYR 27 HA TYR 27 11.756 6.552 3.911 216 1HB TYR 27 HB2 TYR 27 10.288 9.173 3.554 217 2HB TYR 27 HB1 TYR 27 11.984 8.934 3.956 218 HD1 TYR 27 HD1 TYR 27 9.645 9.476 1.315 219 HD2 TYR 27 HD2 TYR 27 13.442 7.669 2.195 220 HE1 TYR 27 HE1 TYR 27 10.217 9.502 -1.096 221 HE2 TYR 27 HE2 TYR 27 14.013 7.696 -0.218 222 HH TYR 27 HH TYR 27 12.828 9.480 -2.366 223 H GLY 28 HN GLY 28 11.606 6.168 6.073 224 1HA GLY 28 HA2 GLY 28 10.764 6.951 8.270 225 2HA GLY 28 HA1 GLY 28 9.180 7.143 7.525 226 H ILE 29 HN ILE 29 9.505 4.534 6.042 227 HA ILE 29 HA ILE 29 8.500 2.821 8.206 228 HB ILE 29 HB ILE 29 7.912 1.317 6.373 229 1HG1 ILE 29 HG12 ILE 29 9.462 3.208 4.570 230 2HG1 ILE 29 HG11 ILE 29 10.039 1.623 5.086 231 1HG2 ILE 29 HG21 ILE 29 6.483 3.292 6.756 232 2HG2 ILE 29 HG22 ILE 29 6.498 2.830 5.054 233 3HG2 ILE 29 HG23 ILE 29 7.448 4.211 5.601 234 1HD1 ILE 29 HD11 ILE 29 8.789 0.578 3.532 235 2HD1 ILE 29 HD12 ILE 29 8.446 2.165 2.846 236 3HD1 ILE 29 HD13 ILE 29 7.339 1.455 4.021 237 HA PRO 30 HA PRO 30 12.143 0.488 8.843 238 1HB PRO 30 HB2 PRO 30 11.110 -2.008 9.313 239 2HB PRO 30 HB1 PRO 30 11.029 -0.674 10.479 240 1HG PRO 30 HG2 PRO 30 8.933 -1.767 8.710 241 2HG PRO 30 HG1 PRO 30 8.789 -1.022 10.302 242 1HD PRO 30 HD2 PRO 30 8.198 0.224 7.894 243 2HD PRO 30 HD1 PRO 30 8.518 1.056 9.427 244 H SER 31 HN SER 31 13.561 -1.079 7.875 245 HA SER 31 HA SER 31 13.473 -1.305 5.051 246 1HB SER 31 HB2 SER 31 15.388 -1.557 6.790 247 2HB SER 31 HB1 SER 31 14.899 -3.246 6.868 248 HG SER 31 HG SER 31 15.908 -1.764 4.687 249 H SER 32 HN SER 32 12.504 -3.678 7.550 250 HA SER 32 HA SER 32 11.968 -5.872 5.803 251 1HB SER 32 HB2 SER 32 12.053 -5.632 8.414 252 2HB SER 32 HB1 SER 32 10.341 -5.246 8.264 253 HG SER 32 HG SER 32 11.600 -7.636 8.095 254 H THR 33 HN THR 33 9.802 -3.265 6.972 255 HA THR 33 HA THR 33 7.475 -4.171 5.518 256 HB THR 33 HB THR 33 8.339 -1.430 6.507 257 HG1 THR 33 HG1 THR 33 6.588 -3.340 7.668 258 1HG2 THR 33 HG21 THR 33 6.565 -0.828 5.178 259 2HG2 THR 33 HG22 THR 33 5.657 -1.337 6.602 260 3HG2 THR 33 HG23 THR 33 5.840 -2.434 5.233 261 H ALA 34 HN ALA 34 10.091 -1.859 4.798 262 HA ALA 34 HA ALA 34 9.121 -0.944 2.270 263 1HB ALA 34 HB1 ALA 34 11.800 -0.720 2.036 264 2HB ALA 34 HB2 ALA 34 11.701 -1.047 3.767 265 3HB ALA 34 HB3 ALA 34 10.860 0.344 3.082 266 H ARG 35 HN ARG 35 11.164 -3.734 3.161 267 HA ARG 35 HA ARG 35 11.842 -4.600 0.520 268 1HB ARG 35 HB2 ARG 35 11.433 -6.065 3.151 269 2HB ARG 35 HB1 ARG 35 12.068 -6.850 1.709 270 1HG ARG 35 HG2 ARG 35 13.451 -4.343 2.230 271 2HG ARG 35 HG1 ARG 35 13.553 -5.434 3.612 272 1HD ARG 35 HD2 ARG 35 15.411 -6.026 2.226 273 2HD ARG 35 HD1 ARG 35 14.185 -7.262 1.879 274 HE ARG 35 HE ARG 35 13.688 -5.107 0.117 275 1HH1 ARG 35 HH21 ARG 35 16.685 -4.990 0.051 276 2HH1 ARG 35 HH22 ARG 35 17.061 -6.092 -1.232 277 1HH2 ARG 35 HH11 ARG 35 13.920 -7.583 -1.216 278 2HH2 ARG 35 HH12 ARG 35 15.485 -7.566 -1.955 279 H LEU 36 HN LEU 36 9.065 -5.432 2.613 280 HA LEU 36 HA LEU 36 7.819 -7.282 0.791 281 1HB LEU 36 HB2 LEU 36 7.465 -6.351 3.381 282 2HB LEU 36 HB1 LEU 36 6.059 -5.698 2.544 283 HG LEU 36 HG LEU 36 5.562 -7.923 3.470 284 1HD1 LEU 36 HD11 LEU 36 5.835 -8.155 0.466 285 2HD1 LEU 36 HD12 LEU 36 4.618 -7.140 1.238 286 3HD1 LEU 36 HD13 LEU 36 4.605 -8.884 1.499 287 1HD2 LEU 36 HD21 LEU 36 6.772 -9.884 2.831 288 2HD2 LEU 36 HD22 LEU 36 7.993 -8.693 3.277 289 3HD2 LEU 36 HD23 LEU 36 7.656 -9.016 1.576 290 H CYS 37 HN CYS 37 7.518 -3.771 1.269 291 HA CYS 37 HA CYS 37 5.318 -3.278 -0.492 292 1HB CYS 37 HB2 CYS 37 7.506 -1.809 0.852 293 2HB CYS 37 HB1 CYS 37 6.885 -1.035 -0.600 294 H CYS 38 HN CYS 38 8.817 -3.575 -1.098 295 HA CYS 38 HA CYS 38 8.625 -2.730 -3.892 296 1HB CYS 38 HB2 CYS 38 10.643 -2.369 -2.593 297 2HB CYS 38 HB1 CYS 38 10.748 -4.081 -2.193 298 H PHE 39 HN PHE 39 8.837 -5.812 -2.133 299 HA PHE 39 HA PHE 39 9.084 -7.529 -4.426 300 1HB PHE 39 HB2 PHE 39 9.719 -8.407 -2.338 301 2HB PHE 39 HB1 PHE 39 8.274 -7.796 -1.537 302 HD1 PHE 39 HD1 PHE 39 9.392 -10.245 -4.138 303 HD2 PHE 39 HD2 PHE 39 6.396 -9.183 -1.248 304 HE1 PHE 39 HE1 PHE 39 8.264 -12.421 -4.509 305 HE2 PHE 39 HE2 PHE 39 5.268 -11.360 -1.619 306 HZ PHE 39 HZ PHE 39 6.201 -12.978 -3.250 307 H ARG 40 HN ARG 40 6.248 -6.349 -2.612 308 HA ARG 40 HA ARG 40 4.437 -7.882 -4.397 309 1HB ARG 40 HB2 ARG 40 4.454 -6.891 -1.694 310 2HB ARG 40 HB1 ARG 40 3.028 -6.287 -2.526 311 1HG ARG 40 HG2 ARG 40 3.034 -8.873 -3.380 312 2HG ARG 40 HG1 ARG 40 3.733 -9.060 -1.771 313 1HD ARG 40 HD2 ARG 40 1.472 -9.165 -1.224 314 2HD ARG 40 HD1 ARG 40 1.707 -7.409 -1.126 315 HE ARG 40 HE ARG 40 0.671 -8.800 -3.575 316 1HH1 ARG 40 HH21 ARG 40 -1.325 -7.448 -1.834 317 2HH1 ARG 40 HH22 ARG 40 -1.439 -5.871 -2.540 318 1HH2 ARG 40 HH11 ARG 40 1.522 -6.178 -4.339 319 2HH2 ARG 40 HH12 ARG 40 0.180 -5.150 -3.967 320 H TYR 41 HN TYR 41 4.577 -4.480 -3.216 321 HA TYR 41 HA TYR 41 2.867 -3.622 -5.427 322 1HB TYR 41 HB2 TYR 41 4.269 -2.247 -3.139 323 2HB TYR 41 HB1 TYR 41 3.282 -1.378 -4.310 324 HD1 TYR 41 HD1 TYR 41 0.868 -1.647 -4.388 325 HD2 TYR 41 HD2 TYR 41 3.253 -3.856 -1.579 326 HE1 TYR 41 HE1 TYR 41 -1.181 -2.260 -3.135 327 HE2 TYR 41 HE2 TYR 41 1.202 -4.478 -0.330 328 HH TYR 41 HH TYR 41 -2.028 -3.494 -1.465 329 H GLY 42 HN GLY 42 6.296 -3.372 -4.588 330 1HA GLY 42 HA2 GLY 42 8.011 -3.179 -6.277 331 2HA GLY 42 HA1 GLY 42 6.827 -2.467 -7.365 332 H ASP 43 HN ASP 43 6.650 -1.136 -4.199 333 HA ASP 43 HA ASP 43 8.054 1.313 -5.182 334 1HB ASP 43 HB2 ASP 43 6.394 1.313 -2.706 335 2HB ASP 43 HB1 ASP 43 6.517 2.533 -3.961 336 H CYS 44 HN CYS 44 9.435 2.458 -3.668 337 HA CYS 44 HA CYS 44 11.129 2.610 -2.031 338 1HB CYS 44 HB2 CYS 44 9.645 0.363 -0.655 339 2HB CYS 44 HB1 CYS 44 10.616 1.618 0.094 340 H CYS 45 HN CYS 45 11.504 0.857 -4.316 341 HA CYS 45 HA CYS 45 12.739 -1.634 -3.397 342 1HB CYS 45 HB2 CYS 45 12.483 -0.126 -6.005 343 2HB CYS 45 HB1 CYS 45 13.428 -1.608 -5.889 344 H HIS 46 HN HIS 46 14.023 1.245 -5.107 345 HA HIS 46 HA HIS 46 16.756 0.595 -4.172 346 1HB HIS 46 HB2 HIS 46 15.938 1.353 -6.543 347 2HB HIS 46 HB1 HIS 46 15.933 2.970 -5.838 348 HD1 HIS 46 HD1 HIS 46 18.301 3.701 -4.688 349 HD2 HIS 46 HD2 HIS 46 18.449 0.505 -7.361 350 HE1 HIS 46 HE1 HIS 46 20.732 3.426 -5.342 351 H LEU 47 HN LEU 47 15.772 1.114 -1.868 352 HA LEU 47 HA LEU 47 15.561 4.008 -1.279 353 1HB LEU 47 HB2 LEU 47 14.185 1.960 -0.351 354 2HB LEU 47 HB1 LEU 47 15.556 1.780 0.745 355 HG LEU 47 HG LEU 47 15.234 4.342 1.169 356 1HD1 LEU 47 HD11 LEU 47 12.878 5.059 0.930 357 2HD1 LEU 47 HD12 LEU 47 12.498 3.534 0.130 358 3HD1 LEU 47 HD13 LEU 47 13.591 4.684 -0.639 359 1HD2 LEU 47 HD21 LEU 47 14.864 2.808 2.956 360 2HD2 LEU 47 HD22 LEU 47 13.431 2.132 2.180 361 3HD2 LEU 47 HD23 LEU 47 13.383 3.760 2.857 Start of MODEL 7 1 1H HIS 1 HT1 HIS 1 26.292 14.349 -2.224 2 2H HIS 1 HT2 HIS 1 27.917 14.688 -2.590 3 3H HIS 1 HT3 HIS 1 27.523 13.806 -1.192 4 HA HIS 1 HA HIS 1 26.562 12.037 -2.672 5 1HB HIS 1 HB2 HIS 1 27.784 13.992 -4.632 6 2HB HIS 1 HB1 HIS 1 27.521 12.303 -5.065 7 HD1 HIS 1 HD1 HIS 1 25.053 11.483 -5.267 8 HD2 HIS 1 HD2 HIS 1 25.412 15.541 -4.379 9 HE1 HIS 1 HE1 HIS 1 22.759 12.499 -5.613 10 H SER 2 HN SER 2 27.893 10.283 -2.353 11 HA SER 2 HA SER 2 30.812 10.512 -2.799 12 1HB SER 2 HB2 SER 2 31.130 9.595 -0.413 13 2HB SER 2 HB1 SER 2 30.665 11.287 -0.547 14 HG SER 2 HG SER 2 29.190 9.064 0.300 15 H SER 3 HN SER 3 29.961 8.947 -4.489 16 HA SER 3 HA SER 3 29.960 6.166 -3.390 17 1HB SER 3 HB2 SER 3 27.997 7.485 -5.275 18 2HB SER 3 HB1 SER 3 28.157 5.734 -5.177 19 HG SER 3 HG SER 3 27.291 5.755 -3.227 20 H GLY 4 HN GLY 4 30.965 4.644 -4.786 21 1HA GLY 4 HA2 GLY 4 31.740 5.388 -7.507 22 2HA GLY 4 HA1 GLY 4 33.093 5.307 -6.380 23 H TYR 5 HN TYR 5 30.241 3.354 -7.327 24 HA TYR 5 HA TYR 5 29.981 1.025 -7.572 25 1HB TYR 5 HB2 TYR 5 31.658 1.721 -9.347 26 2HB TYR 5 HB1 TYR 5 32.932 1.187 -8.252 27 HD1 TYR 5 HD1 TYR 5 29.692 -0.049 -9.701 28 HD2 TYR 5 HD2 TYR 5 33.675 -1.015 -8.413 29 HE1 TYR 5 HE1 TYR 5 29.373 -2.386 -10.466 30 HE2 TYR 5 HE2 TYR 5 33.355 -3.351 -9.179 31 HH TYR 5 HH TYR 5 31.098 -4.881 -9.526 32 H THR 6 HN THR 6 29.680 0.683 -5.253 33 HA THR 6 HA THR 6 31.972 -0.794 -4.011 34 HB THR 6 HB THR 6 30.048 1.093 -2.607 35 HG1 THR 6 HG1 THR 6 31.323 2.422 -3.716 36 1HG2 THR 6 HG21 THR 6 31.936 0.930 -0.855 37 2HG2 THR 6 HG22 THR 6 32.464 -0.496 -1.749 38 3HG2 THR 6 HG23 THR 6 30.860 -0.457 -1.017 39 H ARG 7 HN ARG 7 30.816 -2.719 -4.803 40 HA ARG 7 HA ARG 7 29.485 -4.617 -4.392 41 1HB ARG 7 HB2 ARG 7 30.097 -3.949 -2.020 42 2HB ARG 7 HB1 ARG 7 28.561 -3.090 -1.946 43 1HG ARG 7 HG2 ARG 7 27.733 -5.511 -2.885 44 2HG ARG 7 HG1 ARG 7 29.096 -5.997 -1.876 45 1HD ARG 7 HD2 ARG 7 27.772 -4.092 -0.315 46 2HD ARG 7 HD1 ARG 7 26.462 -5.031 -1.058 47 HE ARG 7 HE ARG 7 28.743 -6.542 0.103 48 1HH1 ARG 7 HH11 ARG 7 25.792 -7.321 -0.733 49 2HH1 ARG 7 HH12 ARG 7 25.150 -7.698 0.831 50 1HH2 ARG 7 HH21 ARG 7 27.790 -6.228 2.554 51 2HH2 ARG 7 HH22 ARG 7 26.288 -7.077 2.701 52 HA PRO 8 HA PRO 8 25.745 -3.148 -6.297 53 1HB PRO 8 HB2 PRO 8 24.625 -5.604 -6.769 54 2HB PRO 8 HB1 PRO 8 25.938 -4.931 -7.756 55 1HG PRO 8 HG2 PRO 8 26.055 -6.954 -5.577 56 2HG PRO 8 HG1 PRO 8 26.955 -6.881 -7.099 57 1HD PRO 8 HD2 PRO 8 28.011 -6.158 -4.692 58 2HD PRO 8 HD1 PRO 8 28.547 -5.476 -6.242 59 H LEU 9 HN LEU 9 23.600 -2.807 -5.589 60 HA LEU 9 HA LEU 9 23.021 -3.670 -2.816 61 1HB LEU 9 HB2 LEU 9 21.345 -1.872 -2.922 62 2HB LEU 9 HB1 LEU 9 22.906 -1.285 -3.487 63 HG LEU 9 HG LEU 9 21.600 -2.328 -5.771 64 1HD1 LEU 9 HD11 LEU 9 19.486 -1.115 -5.808 65 2HD1 LEU 9 HD12 LEU 9 19.791 -0.471 -4.195 66 3HD1 LEU 9 HD13 LEU 9 19.501 -2.197 -4.415 67 1HD2 LEU 9 HD21 LEU 9 21.566 0.105 -6.417 68 2HD2 LEU 9 HD22 LEU 9 23.127 -0.441 -5.805 69 3HD2 LEU 9 HD23 LEU 9 22.053 0.499 -4.768 70 H ARG 10 HN ARG 10 21.442 -5.141 -2.317 71 HA ARG 10 HA ARG 10 19.340 -5.803 -4.303 72 1HB ARG 10 HB2 ARG 10 21.396 -7.240 -4.662 73 2HB ARG 10 HB1 ARG 10 21.155 -7.879 -3.035 74 1HG ARG 10 HG2 ARG 10 18.994 -8.779 -3.631 75 2HG ARG 10 HG1 ARG 10 19.034 -7.971 -5.199 76 1HD ARG 10 HD2 ARG 10 20.298 -9.622 -6.125 77 2HD ARG 10 HD1 ARG 10 21.384 -9.683 -4.722 78 HE ARG 10 HE ARG 10 19.726 -11.110 -3.583 79 1HH1 ARG 10 HH11 ARG 10 20.326 -12.765 -5.920 80 2HH1 ARG 10 HH12 ARG 10 18.768 -13.074 -6.610 81 1HH2 ARG 10 HH21 ARG 10 17.206 -10.485 -4.894 82 2HH2 ARG 10 HH22 ARG 10 16.995 -11.777 -6.027 83 H LYS 11 HN LYS 11 17.566 -5.399 -3.021 84 HA LYS 11 HA LYS 11 17.582 -5.884 -0.140 85 1HB LYS 11 HB2 LYS 11 16.166 -4.329 -2.035 86 2HB LYS 11 HB1 LYS 11 14.977 -5.413 -1.313 87 1HG LYS 11 HG2 LYS 11 16.317 -4.653 0.916 88 2HG LYS 11 HG1 LYS 11 16.529 -3.207 -0.070 89 1HD LYS 11 HD2 LYS 11 14.489 -2.672 0.838 90 2HD LYS 11 HD1 LYS 11 13.908 -3.638 -0.517 91 1HE LYS 11 HE2 LYS 11 12.770 -4.650 1.260 92 2HE LYS 11 HE1 LYS 11 14.238 -5.644 1.212 93 1HZ LYS 11 HZ1 LYS 11 13.867 -4.832 3.451 94 2HZ LYS 11 HZ2 LYS 11 13.813 -3.226 2.898 95 3HZ LYS 11 HZ3 LYS 11 15.260 -4.112 2.808 96 HA PRO 12 HA PRO 12 16.035 -10.020 -0.388 97 1HB PRO 12 HB2 PRO 12 15.135 -10.256 2.188 98 2HB PRO 12 HB1 PRO 12 16.856 -10.280 1.761 99 1HG PRO 12 HG2 PRO 12 15.223 -8.090 2.915 100 2HG PRO 12 HG1 PRO 12 16.915 -8.515 3.209 101 1HD PRO 12 HD2 PRO 12 16.073 -6.450 1.589 102 2HD PRO 12 HD1 PRO 12 17.658 -7.242 1.477 103 H SER 13 HN SER 13 13.777 -10.959 1.052 104 HA SER 13 HA SER 13 11.585 -10.345 -0.608 105 1HB SER 13 HB2 SER 13 11.855 -11.408 2.208 106 2HB SER 13 HB1 SER 13 10.287 -11.297 1.413 107 HG SER 13 HG SER 13 11.135 -13.307 0.977 108 H ARG 14 HN ARG 14 9.815 -8.917 -0.399 109 HA ARG 14 HA ARG 14 10.279 -6.351 0.766 110 1HB ARG 14 HB2 ARG 14 7.922 -7.840 -0.374 111 2HB ARG 14 HB1 ARG 14 7.688 -6.244 0.336 112 1HG ARG 14 HG2 ARG 14 9.939 -6.579 -1.602 113 2HG ARG 14 HG1 ARG 14 8.299 -6.543 -2.249 114 1HD ARG 14 HD2 ARG 14 8.466 -4.444 -0.326 115 2HD ARG 14 HD1 ARG 14 9.898 -4.322 -1.366 116 HE ARG 14 HE ARG 14 8.310 -4.425 -3.330 117 1HH1 ARG 14 HH21 ARG 14 5.885 -5.179 -1.665 118 2HH1 ARG 14 HH22 ARG 14 5.042 -3.668 -1.579 119 1HH2 ARG 14 HH11 ARG 14 7.786 -1.783 -2.582 120 2HH2 ARG 14 HH12 ARG 14 6.124 -1.737 -2.099 121 HA PRO 15 HA PRO 15 9.135 -7.459 4.950 122 1HB PRO 15 HB2 PRO 15 9.656 -5.013 6.048 123 2HB PRO 15 HB1 PRO 15 10.933 -6.172 5.631 124 1HG PRO 15 HG2 PRO 15 10.063 -3.724 4.206 125 2HG PRO 15 HG1 PRO 15 11.675 -4.438 4.350 126 1HD PRO 15 HD2 PRO 15 10.034 -4.645 2.132 127 2HD PRO 15 HD1 PRO 15 11.390 -5.728 2.506 128 H ILE 16 HN ILE 16 7.631 -6.380 6.632 129 HA ILE 16 HA ILE 16 5.044 -5.918 5.511 130 HB ILE 16 HB ILE 16 4.453 -5.306 7.850 131 1HG1 ILE 16 HG12 ILE 16 7.381 -5.611 8.527 132 2HG1 ILE 16 HG11 ILE 16 6.687 -4.034 8.159 133 1HG2 ILE 16 HG21 ILE 16 4.884 -7.428 8.771 134 2HG2 ILE 16 HG22 ILE 16 6.457 -7.553 7.986 135 3HG2 ILE 16 HG23 ILE 16 4.981 -7.716 7.034 136 1HD1 ILE 16 HD11 ILE 16 6.748 -4.797 10.646 137 2HD1 ILE 16 HD12 ILE 16 5.395 -5.837 10.199 138 3HD1 ILE 16 HD13 ILE 16 5.257 -4.087 10.027 139 H PHE 17 HN PHE 17 3.749 -3.899 5.687 140 HA PHE 17 HA PHE 17 5.348 -1.383 5.708 141 1HB PHE 17 HB2 PHE 17 5.021 -2.476 3.395 142 2HB PHE 17 HB1 PHE 17 3.321 -2.043 3.564 143 HD1 PHE 17 HD1 PHE 17 6.749 -0.542 3.834 144 HD2 PHE 17 HD2 PHE 17 2.604 0.080 2.890 145 HE1 PHE 17 HE1 PHE 17 7.262 1.770 3.098 146 HE2 PHE 17 HE2 PHE 17 3.119 2.390 2.153 147 HZ PHE 17 HZ PHE 17 5.448 3.236 2.257 148 H ILE 18 HN ILE 18 3.904 0.561 5.822 149 HA ILE 18 HA ILE 18 1.816 0.236 7.795 150 HB ILE 18 HB ILE 18 1.598 2.667 7.541 151 1HG1 ILE 18 HG12 ILE 18 3.429 2.398 5.137 152 2HG1 ILE 18 HG11 ILE 18 1.686 2.633 5.022 153 1HG2 ILE 18 HG21 ILE 18 4.529 2.239 7.116 154 2HG2 ILE 18 HG22 ILE 18 3.760 1.444 8.490 155 3HG2 ILE 18 HG23 ILE 18 3.701 3.200 8.341 156 1HD1 ILE 18 HD11 ILE 18 1.934 4.728 6.377 157 2HD1 ILE 18 HD12 ILE 18 2.768 4.799 4.826 158 3HD1 ILE 18 HD13 ILE 18 3.683 4.518 6.307 159 H ARG 19 HN ARG 19 -0.388 1.373 7.341 160 HA ARG 19 HA ARG 19 -1.672 -0.032 5.120 161 1HB ARG 19 HB2 ARG 19 -2.775 -0.021 7.233 162 2HB ARG 19 HB1 ARG 19 -2.561 1.718 7.420 163 1HG ARG 19 HG2 ARG 19 -4.803 1.559 6.770 164 2HG ARG 19 HG1 ARG 19 -3.997 1.876 5.238 165 1HD ARG 19 HD2 ARG 19 -5.131 0.013 4.527 166 2HD ARG 19 HD1 ARG 19 -3.867 -0.882 5.396 167 HE ARG 19 HE ARG 19 -5.366 -0.871 7.390 168 1HH1 ARG 19 HH21 ARG 19 -7.100 1.350 6.015 169 2HH1 ARG 19 HH22 ARG 19 -8.550 0.447 5.728 170 1HH2 ARG 19 HH11 ARG 19 -7.053 -2.640 6.306 171 2HH2 ARG 19 HH12 ARG 19 -8.524 -1.825 5.883 172 HA PRO 20 HA PRO 20 -1.302 3.501 2.438 173 1HB PRO 20 HB2 PRO 20 -2.782 2.461 0.380 174 2HB PRO 20 HB1 PRO 20 -1.100 1.995 0.702 175 1HG PRO 20 HG2 PRO 20 -3.617 0.560 1.359 176 2HG PRO 20 HG1 PRO 20 -2.052 -0.081 0.843 177 1HD PRO 20 HD2 PRO 20 -2.929 -0.102 3.438 178 2HD PRO 20 HD1 PRO 20 -1.222 -0.109 2.968 179 H ILE 21 HN ILE 21 -2.787 5.072 1.460 180 HA ILE 21 HA ILE 21 -5.149 5.556 3.084 181 HB ILE 21 HB ILE 21 -3.500 6.912 1.001 182 1HG1 ILE 21 HG12 ILE 21 -3.160 7.102 3.479 183 2HG1 ILE 21 HG11 ILE 21 -3.426 8.645 2.677 184 1HG2 ILE 21 HG21 ILE 21 -5.765 7.274 0.107 185 2HG2 ILE 21 HG22 ILE 21 -5.121 8.767 0.789 186 3HG2 ILE 21 HG23 ILE 21 -6.311 7.829 1.691 187 1HD1 ILE 21 HD11 ILE 21 -5.850 7.243 3.681 188 2HD1 ILE 21 HD12 ILE 21 -5.475 8.966 3.665 189 3HD1 ILE 21 HD13 ILE 21 -4.771 7.921 4.899 190 H GLY 22 HN GLY 22 -7.243 6.145 2.029 191 1HA GLY 22 HA2 GLY 22 -8.785 5.906 0.125 192 2HA GLY 22 HA1 GLY 22 -7.844 4.508 -0.392 193 H CYS 23 HN CYS 23 -7.657 2.821 1.517 194 HA CYS 23 HA CYS 23 -10.302 1.809 2.052 195 1HB CYS 23 HB2 CYS 23 -7.470 1.168 2.783 196 2HB CYS 23 HB1 CYS 23 -8.753 0.346 3.658 197 H ASP 24 HN ASP 24 -8.065 3.804 3.902 198 HA ASP 24 HA ASP 24 -9.619 3.555 6.390 199 1HB ASP 24 HB2 ASP 24 -7.017 4.455 5.492 200 2HB ASP 24 HB1 ASP 24 -7.763 5.689 6.505 201 H VAL 25 HN VAL 25 -10.585 4.928 3.682 202 HA VAL 25 HA VAL 25 -11.838 7.250 5.034 203 HB VAL 25 HB VAL 25 -10.569 7.353 2.274 204 1HG1 VAL 25 HG11 VAL 25 -10.714 9.912 3.222 205 2HG1 VAL 25 HG12 VAL 25 -12.145 9.198 3.965 206 3HG1 VAL 25 HG13 VAL 25 -11.950 9.163 2.212 207 1HG2 VAL 25 HG21 VAL 25 -9.470 8.144 4.982 208 2HG2 VAL 25 HG22 VAL 25 -8.867 8.856 3.486 209 3HG2 VAL 25 HG23 VAL 25 -8.715 7.121 3.759 210 H CYS 26 HN CYS 26 -13.366 5.179 4.844 211 HA CYS 26 HA CYS 26 -14.585 4.252 2.521 212 1HB CYS 26 HB2 CYS 26 -15.739 4.992 5.224 213 2HB CYS 26 HB1 CYS 26 -16.636 4.070 4.024 214 H TYR 27 HN TYR 27 -14.900 7.448 3.951 215 HA TYR 27 HA TYR 27 -17.062 8.139 2.010 216 1HB TYR 27 HB2 TYR 27 -16.059 9.827 4.307 217 2HB TYR 27 HB1 TYR 27 -17.641 9.867 3.536 218 HD1 TYR 27 HD1 TYR 27 -15.717 8.539 6.242 219 HD2 TYR 27 HD2 TYR 27 -19.118 7.736 3.742 220 HE1 TYR 27 HE1 TYR 27 -16.568 6.925 7.919 221 HE2 TYR 27 HE2 TYR 27 -19.969 6.123 5.421 222 HH TYR 27 HH TYR 27 -18.622 4.636 7.382 223 H GLY 28 HN GLY 28 -16.468 9.325 0.251 224 1HA GLY 28 HA2 GLY 28 -15.349 11.388 -0.575 225 2HA GLY 28 HA1 GLY 28 -13.959 10.945 0.414 226 H ILE 29 HN ILE 29 -14.154 8.074 -0.320 227 HA ILE 29 HA ILE 29 -12.630 8.231 -2.815 228 HB ILE 29 HB ILE 29 -12.249 5.849 -2.408 229 1HG1 ILE 29 HG12 ILE 29 -14.284 6.100 -0.166 230 2HG1 ILE 29 HG11 ILE 29 -14.592 5.311 -1.714 231 1HG2 ILE 29 HG21 ILE 29 -11.278 5.989 -0.146 232 2HG2 ILE 29 HG22 ILE 29 -12.215 7.450 0.165 233 3HG2 ILE 29 HG23 ILE 29 -10.958 7.456 -1.071 234 1HD1 ILE 29 HD11 ILE 29 -12.743 4.455 0.503 235 2HD1 ILE 29 HD12 ILE 29 -12.459 3.915 -1.152 236 3HD1 ILE 29 HD13 ILE 29 -13.972 3.512 -0.341 237 HA PRO 30 HA PRO 30 -15.825 7.164 -5.594 238 1HB PRO 30 HB2 PRO 30 -14.506 5.548 -7.375 239 2HB PRO 30 HB1 PRO 30 -14.309 7.310 -7.308 240 1HG PRO 30 HG2 PRO 30 -12.526 5.172 -6.325 241 2HG PRO 30 HG1 PRO 30 -12.130 6.774 -6.948 242 1HD PRO 30 HD2 PRO 30 -12.143 6.064 -4.268 243 2HD PRO 30 HD1 PRO 30 -12.230 7.724 -4.886 244 H SER 31 HN SER 31 -17.294 5.493 -6.192 245 HA SER 31 HA SER 31 -17.771 3.438 -4.308 246 1HB SER 31 HB2 SER 31 -19.155 4.622 -6.261 247 2HB SER 31 HB1 SER 31 -18.693 3.170 -7.142 248 HG SER 31 HG SER 31 -20.621 3.455 -5.364 249 H SER 32 HN SER 32 -16.062 3.277 -7.441 250 HA SER 32 HA SER 32 -15.788 0.420 -7.540 251 1HB SER 32 HB2 SER 32 -15.389 2.346 -9.292 252 2HB SER 32 HB1 SER 32 -13.755 2.354 -8.635 253 HG SER 32 HG SER 32 -14.155 0.911 -10.468 254 H THR 33 HN THR 33 -13.620 2.970 -6.257 255 HA THR 33 HA THR 33 -11.520 1.182 -5.423 256 HB THR 33 HB THR 33 -12.432 3.903 -4.433 257 HG1 THR 33 HG1 THR 33 -10.276 3.190 -6.134 258 1HG2 THR 33 HG21 THR 33 -11.024 3.379 -2.705 259 2HG2 THR 33 HG22 THR 33 -9.788 3.835 -3.877 260 3HG2 THR 33 HG23 THR 33 -10.183 2.134 -3.629 261 H ALA 34 HN ALA 34 -14.405 2.486 -3.773 262 HA ALA 34 HA ALA 34 -13.942 1.433 -1.180 263 1HB ALA 34 HB1 ALA 34 -16.250 2.323 -2.836 264 2HB ALA 34 HB2 ALA 34 -15.758 2.849 -1.225 265 3HB ALA 34 HB3 ALA 34 -16.646 1.339 -1.427 266 H ARG 35 HN ARG 35 -15.435 -0.081 -4.050 267 HA ARG 35 HA ARG 35 -16.171 -2.561 -2.767 268 1HB ARG 35 HB2 ARG 35 -15.540 -1.793 -5.642 269 2HB ARG 35 HB1 ARG 35 -16.186 -3.364 -5.177 270 1HG ARG 35 HG2 ARG 35 -17.637 -1.013 -4.095 271 2HG ARG 35 HG1 ARG 35 -17.760 -1.257 -5.837 272 1HD ARG 35 HD2 ARG 35 -18.469 -3.616 -5.438 273 2HD ARG 35 HD1 ARG 35 -18.424 -3.307 -3.691 274 HE ARG 35 HE ARG 35 -19.985 -1.278 -5.027 275 1HH1 ARG 35 HH11 ARG 35 -21.255 -3.612 -6.270 276 2HH1 ARG 35 HH12 ARG 35 -22.421 -4.110 -5.091 277 1HH2 ARG 35 HH21 ARG 35 -20.951 -2.321 -2.497 278 2HH2 ARG 35 HH22 ARG 35 -22.249 -3.376 -2.948 279 H LEU 36 HN LEU 36 -13.265 -1.477 -4.523 280 HA LEU 36 HA LEU 36 -11.833 -3.970 -4.444 281 1HB LEU 36 HB2 LEU 36 -11.518 -1.372 -5.442 282 2HB LEU 36 HB1 LEU 36 -10.207 -1.542 -4.277 283 HG LEU 36 HG LEU 36 -10.324 -3.982 -5.720 284 1HD1 LEU 36 HD11 LEU 36 -9.823 -2.953 -8.033 285 2HD1 LEU 36 HD12 LEU 36 -10.633 -1.509 -7.426 286 3HD1 LEU 36 HD13 LEU 36 -11.514 -3.033 -7.538 287 1HD2 LEU 36 HD21 LEU 36 -8.091 -3.090 -6.591 288 2HD2 LEU 36 HD22 LEU 36 -8.268 -3.127 -4.837 289 3HD2 LEU 36 HD23 LEU 36 -8.447 -1.605 -5.709 290 H CYS 37 HN CYS 37 -11.982 -1.173 -2.239 291 HA CYS 37 HA CYS 37 -9.992 -2.049 -0.361 292 1HB CYS 37 HB2 CYS 37 -12.179 -0.066 -0.573 293 2HB CYS 37 HB1 CYS 37 -11.798 -0.563 1.072 294 H CYS 38 HN CYS 38 -13.520 -2.558 -0.558 295 HA CYS 38 HA CYS 38 -13.736 -4.006 1.947 296 1HB CYS 38 HB2 CYS 38 -15.617 -2.841 0.950 297 2HB CYS 38 HB1 CYS 38 -15.460 -3.765 -0.540 298 H PHE 39 HN PHE 39 -13.357 -4.933 -1.462 299 HA PHE 39 HA PHE 39 -13.661 -7.768 -1.119 300 1HB PHE 39 HB2 PHE 39 -13.922 -6.842 -3.282 301 2HB PHE 39 HB1 PHE 39 -12.424 -5.923 -3.161 302 HD1 PHE 39 HD1 PHE 39 -13.779 -9.391 -3.390 303 HD2 PHE 39 HD2 PHE 39 -10.364 -6.836 -3.895 304 HE1 PHE 39 HE1 PHE 39 -12.548 -11.252 -4.470 305 HE2 PHE 39 HE2 PHE 39 -9.132 -8.697 -4.976 306 HZ PHE 39 HZ PHE 39 -10.224 -10.906 -5.263 307 H ARG 40 HN ARG 40 -10.794 -5.646 -1.031 308 HA ARG 40 HA ARG 40 -9.057 -8.007 -0.529 309 1HB ARG 40 HB2 ARG 40 -8.750 -5.186 -1.458 310 2HB ARG 40 HB1 ARG 40 -7.367 -5.941 -0.672 311 1HG ARG 40 HG2 ARG 40 -8.402 -7.871 -2.460 312 2HG ARG 40 HG1 ARG 40 -8.360 -6.348 -3.347 313 1HD ARG 40 HD2 ARG 40 -6.124 -6.594 -3.604 314 2HD ARG 40 HD1 ARG 40 -5.934 -6.518 -1.842 315 HE ARG 40 HE ARG 40 -6.867 -9.120 -2.834 316 1HH1 ARG 40 HH11 ARG 40 -4.118 -8.268 -4.003 317 2HH1 ARG 40 HH12 ARG 40 -3.053 -9.055 -2.887 318 1HH2 ARG 40 HH21 ARG 40 -5.535 -9.645 -0.527 319 2HH2 ARG 40 HH22 ARG 40 -3.858 -9.839 -0.913 320 H TYR 41 HN TYR 41 -9.382 -4.716 0.889 321 HA TYR 41 HA TYR 41 -8.019 -5.518 3.333 322 1HB TYR 41 HB2 TYR 41 -9.519 -3.071 2.405 323 2HB TYR 41 HB1 TYR 41 -8.770 -3.173 3.995 324 HD1 TYR 41 HD1 TYR 41 -6.445 -2.835 4.279 325 HD2 TYR 41 HD2 TYR 41 -8.066 -3.385 0.339 326 HE1 TYR 41 HE1 TYR 41 -4.262 -2.197 3.295 327 HE2 TYR 41 HE2 TYR 41 -5.880 -2.756 -0.647 328 HH TYR 41 HH TYR 41 -3.025 -2.554 1.179 329 H GLY 42 HN GLY 42 -11.404 -4.878 2.447 330 1HA GLY 42 HA2 GLY 42 -13.228 -6.089 3.498 331 2HA GLY 42 HA1 GLY 42 -12.227 -6.300 4.928 332 H ASP 43 HN ASP 43 -12.084 -3.114 3.627 333 HA ASP 43 HA ASP 43 -13.927 -2.164 5.789 334 1HB ASP 43 HB2 ASP 43 -11.686 -0.659 4.417 335 2HB ASP 43 HB1 ASP 43 -12.511 -0.214 5.900 336 H CYS 44 HN CYS 44 -15.199 -0.235 5.287 337 HA CYS 44 HA CYS 44 -16.637 1.059 3.934 338 1HB CYS 44 HB2 CYS 44 -14.612 0.442 1.769 339 2HB CYS 44 HB1 CYS 44 -15.704 1.814 1.823 340 H CYS 45 HN CYS 45 -17.153 -1.756 4.223 341 HA CYS 45 HA CYS 45 -17.873 -2.862 1.603 342 1HB CYS 45 HB2 CYS 45 -18.217 -3.654 4.502 343 2HB CYS 45 HB1 CYS 45 -18.899 -4.615 3.191 344 H HIS 46 HN HIS 46 -19.763 -2.049 4.538 345 HA HIS 46 HA HIS 46 -22.240 -1.865 2.947 346 1HB HIS 46 HB2 HIS 46 -21.560 -2.605 5.533 347 2HB HIS 46 HB1 HIS 46 -22.280 -1.013 5.764 348 HD1 HIS 46 HD1 HIS 46 -23.093 -4.507 4.721 349 HD2 HIS 46 HD2 HIS 46 -25.041 -0.831 4.988 350 HE1 HIS 46 HE1 HIS 46 -25.565 -4.986 4.459 351 H LEU 47 HN LEU 47 -21.593 0.017 1.632 352 HA LEU 47 HA LEU 47 -21.467 2.602 3.140 353 1HB LEU 47 HB2 LEU 47 -19.962 1.432 1.019 354 2HB LEU 47 HB1 LEU 47 -20.818 2.821 0.349 355 HG LEU 47 HG LEU 47 -19.592 3.272 3.004 356 1HD1 LEU 47 HD11 LEU 47 -17.337 3.340 2.280 357 2HD1 LEU 47 HD12 LEU 47 -17.790 3.189 0.583 358 3HD1 LEU 47 HD13 LEU 47 -17.947 1.805 1.664 359 1HD2 LEU 47 HD21 LEU 47 -18.870 5.369 1.753 360 2HD2 LEU 47 HD22 LEU 47 -20.613 5.116 1.848 361 3HD2 LEU 47 HD23 LEU 47 -19.746 4.741 0.358 Start of MODEL 8 1 1H HIS 1 HT1 HIS 1 31.065 9.013 7.265 2 2H HIS 1 HT2 HIS 1 30.624 9.627 5.744 3 3H HIS 1 HT3 HIS 1 31.400 10.630 6.874 4 HA HIS 1 HA HIS 1 32.955 9.909 5.142 5 1HB HIS 1 HB2 HIS 1 33.495 10.342 7.603 6 2HB HIS 1 HB1 HIS 1 33.481 8.592 7.822 7 HD1 HIS 1 HD1 HIS 1 35.379 11.339 6.061 8 HD2 HIS 1 HD2 HIS 1 35.730 7.245 6.769 9 HE1 HIS 1 HE1 HIS 1 37.704 10.678 5.307 10 H SER 2 HN SER 2 33.549 8.261 3.765 11 HA SER 2 HA SER 2 33.681 6.118 2.789 12 1HB SER 2 HB2 SER 2 34.656 5.828 5.204 13 2HB SER 2 HB1 SER 2 33.147 4.978 5.526 14 HG SER 2 HG SER 2 34.844 3.598 4.774 15 H SER 3 HN SER 3 32.352 3.980 2.625 16 HA SER 3 HA SER 3 29.469 4.404 3.272 17 1HB SER 3 HB2 SER 3 29.113 3.615 0.805 18 2HB SER 3 HB1 SER 3 29.572 5.290 1.093 19 HG SER 3 HG SER 3 30.976 4.581 -0.424 20 H GLY 4 HN GLY 4 28.541 2.508 3.968 21 1HA GLY 4 HA2 GLY 4 30.132 0.087 4.137 22 2HA GLY 4 HA1 GLY 4 28.460 0.260 4.667 23 H TYR 5 HN TYR 5 29.790 -1.882 3.038 24 HA TYR 5 HA TYR 5 29.118 -3.320 1.294 25 1HB TYR 5 HB2 TYR 5 26.855 -2.199 2.207 26 2HB TYR 5 HB1 TYR 5 26.850 -1.510 0.584 27 HD1 TYR 5 HD1 TYR 5 26.645 -4.604 2.561 28 HD2 TYR 5 HD2 TYR 5 26.682 -2.942 -1.401 29 HE1 TYR 5 HE1 TYR 5 25.823 -6.758 1.650 30 HE2 TYR 5 HE2 TYR 5 25.859 -5.096 -2.311 31 HH TYR 5 HH TYR 5 26.092 -7.817 -1.088 32 H THR 6 HN THR 6 29.658 -3.471 -0.885 33 HA THR 6 HA THR 6 30.952 -1.184 -2.139 34 HB THR 6 HB THR 6 30.192 -3.844 -3.383 35 HG1 THR 6 HG1 THR 6 31.672 -4.777 -2.202 36 1HG2 THR 6 HG21 THR 6 31.187 -2.112 -4.858 37 2HG2 THR 6 HG22 THR 6 32.253 -3.503 -4.661 38 3HG2 THR 6 HG23 THR 6 32.575 -2.012 -3.775 39 H ARG 7 HN ARG 7 29.745 0.418 -3.058 40 HA ARG 7 HA ARG 7 28.061 1.517 -4.281 41 1HB ARG 7 HB2 ARG 7 29.157 -0.050 -5.961 42 2HB ARG 7 HB1 ARG 7 27.831 -1.172 -5.661 43 1HG ARG 7 HG2 ARG 7 26.337 0.075 -6.836 44 2HG ARG 7 HG1 ARG 7 26.981 1.597 -6.221 45 1HD ARG 7 HD2 ARG 7 29.061 0.833 -7.789 46 2HD ARG 7 HD1 ARG 7 27.714 0.100 -8.682 47 HE ARG 7 HE ARG 7 26.610 2.389 -8.565 48 1HH1 ARG 7 HH11 ARG 7 28.764 2.554 -10.567 49 2HH1 ARG 7 HH12 ARG 7 29.698 3.910 -10.031 50 1HH2 ARG 7 HH21 ARG 7 28.346 3.906 -6.828 51 2HH2 ARG 7 HH22 ARG 7 29.459 4.680 -7.905 52 HA PRO 8 HA PRO 8 24.815 -0.726 -1.787 53 1HB PRO 8 HB2 PRO 8 24.375 1.277 0.025 54 2HB PRO 8 HB1 PRO 8 25.608 0.021 0.253 55 1HG PRO 8 HG2 PRO 8 25.918 2.837 -0.636 56 2HG PRO 8 HG1 PRO 8 26.979 1.847 0.376 57 1HD PRO 8 HD2 PRO 8 27.425 2.379 -2.283 58 2HD PRO 8 HD1 PRO 8 28.078 0.973 -1.418 59 H LEU 9 HN LEU 9 22.574 -0.322 -2.013 60 HA LEU 9 HA LEU 9 21.751 1.504 -4.088 61 1HB LEU 9 HB2 LEU 9 19.523 0.629 -3.555 62 2HB LEU 9 HB1 LEU 9 20.695 -0.686 -3.525 63 HG LEU 9 HG LEU 9 20.745 0.294 -0.915 64 1HD1 LEU 9 HD11 LEU 9 18.472 0.520 -0.192 65 2HD1 LEU 9 HD12 LEU 9 17.853 0.032 -1.770 66 3HD1 LEU 9 HD13 LEU 9 18.656 1.591 -1.581 67 1HD2 LEU 9 HD21 LEU 9 19.672 -1.835 -0.368 68 2HD2 LEU 9 HD22 LEU 9 20.801 -2.077 -1.700 69 3HD2 LEU 9 HD23 LEU 9 19.069 -1.984 -2.019 70 H ARG 10 HN ARG 10 20.334 3.362 -3.866 71 HA ARG 10 HA ARG 10 20.615 4.767 -1.242 72 1HB ARG 10 HB2 ARG 10 21.658 5.622 -3.436 73 2HB ARG 10 HB1 ARG 10 20.007 5.967 -3.952 74 1HG ARG 10 HG2 ARG 10 19.667 7.487 -2.116 75 2HG ARG 10 HG1 ARG 10 21.187 7.004 -1.363 76 1HD ARG 10 HD2 ARG 10 22.076 7.777 -3.833 77 2HD ARG 10 HD1 ARG 10 20.718 8.894 -3.593 78 HE ARG 10 HE ARG 10 21.818 9.218 -1.227 79 1HH1 ARG 10 HH21 ARG 10 22.863 10.944 -3.477 80 2HH1 ARG 10 HH22 ARG 10 24.573 10.716 -3.331 81 1HH2 ARG 10 HH11 ARG 10 24.288 7.887 -1.331 82 2HH2 ARG 10 HH12 ARG 10 25.384 8.978 -2.111 83 H LYS 11 HN LYS 11 18.712 4.396 -0.116 84 HA LYS 11 HA LYS 11 16.212 5.465 -1.183 85 1HB LYS 11 HB2 LYS 11 16.930 2.680 -1.499 86 2HB LYS 11 HB1 LYS 11 15.507 2.815 -0.467 87 1HG LYS 11 HG2 LYS 11 14.199 3.376 -2.215 88 2HG LYS 11 HG1 LYS 11 15.325 4.635 -2.725 89 1HD LYS 11 HD2 LYS 11 16.760 2.827 -3.746 90 2HD LYS 11 HD1 LYS 11 15.464 1.683 -3.396 91 1HE LYS 11 HE2 LYS 11 14.570 4.138 -4.789 92 2HE LYS 11 HE1 LYS 11 15.643 3.091 -5.739 93 1HZ LYS 11 HZ1 LYS 11 13.319 2.079 -4.187 94 2HZ LYS 11 HZ2 LYS 11 14.267 1.220 -5.307 95 3HZ LYS 11 HZ3 LYS 11 13.239 2.464 -5.838 96 HA PRO 12 HA PRO 12 15.936 5.859 3.254 97 1HB PRO 12 HB2 PRO 12 13.615 7.306 3.300 98 2HB PRO 12 HB1 PRO 12 15.180 8.014 2.860 99 1HG PRO 12 HG2 PRO 12 12.923 7.188 1.128 100 2HG PRO 12 HG1 PRO 12 14.068 8.523 0.936 101 1HD PRO 12 HD2 PRO 12 14.185 6.114 -0.421 102 2HD PRO 12 HD1 PRO 12 15.543 7.239 -0.212 103 H SER 13 HN SER 13 13.435 5.883 4.584 104 HA SER 13 HA SER 13 12.780 3.121 4.820 105 1HB SER 13 HB2 SER 13 11.340 5.685 5.547 106 2HB SER 13 HB1 SER 13 10.764 4.098 6.045 107 HG SER 13 HG SER 13 12.094 4.962 7.644 108 H ARG 14 HN ARG 14 11.502 1.839 3.534 109 HA ARG 14 HA ARG 14 9.762 3.177 1.511 110 1HB ARG 14 HB2 ARG 14 10.013 0.897 0.361 111 2HB ARG 14 HB1 ARG 14 11.468 1.882 0.464 112 1HG ARG 14 HG2 ARG 14 12.446 0.517 2.069 113 2HG ARG 14 HG1 ARG 14 10.895 -0.063 2.674 114 1HD ARG 14 HD2 ARG 14 11.728 -0.741 -0.142 115 2HD ARG 14 HD1 ARG 14 12.359 -1.687 1.221 116 HE ARG 14 HE ARG 14 9.547 -1.590 0.352 117 1HH1 ARG 14 HH21 ARG 14 10.874 -4.132 1.128 118 2HH1 ARG 14 HH22 ARG 14 10.257 -4.414 2.722 119 1HH2 ARG 14 HH11 ARG 14 9.144 -1.143 3.150 120 2HH2 ARG 14 HH12 ARG 14 9.273 -2.714 3.872 121 HA PRO 15 HA PRO 15 6.380 1.482 3.872 122 1HB PRO 15 HB2 PRO 15 4.392 2.338 2.207 123 2HB PRO 15 HB1 PRO 15 5.233 3.415 3.338 124 1HG PRO 15 HG2 PRO 15 5.608 3.082 0.408 125 2HG PRO 15 HG1 PRO 15 5.677 4.548 1.398 126 1HD PRO 15 HD2 PRO 15 7.885 3.216 0.480 127 2HD PRO 15 HD1 PRO 15 7.870 4.235 1.936 128 H ILE 16 HN ILE 16 4.262 0.233 3.105 129 HA ILE 16 HA ILE 16 5.068 -2.253 1.930 130 HB ILE 16 HB ILE 16 2.621 -2.725 1.983 131 1HG1 ILE 16 HG12 ILE 16 2.011 -0.075 3.175 132 2HG1 ILE 16 HG11 ILE 16 2.285 -0.078 1.432 133 1HG2 ILE 16 HG21 ILE 16 2.331 -2.459 4.380 134 2HG2 ILE 16 HG22 ILE 16 3.551 -1.187 4.423 135 3HG2 ILE 16 HG23 ILE 16 4.020 -2.846 4.051 136 1HD1 ILE 16 HD11 ILE 16 0.618 -1.901 1.189 137 2HD1 ILE 16 HD12 ILE 16 -0.092 -0.455 1.906 138 3HD1 ILE 16 HD13 ILE 16 0.314 -1.835 2.926 139 H PHE 17 HN PHE 17 3.772 -3.189 -0.016 140 HA PHE 17 HA PHE 17 4.547 -1.991 -2.430 141 1HB PHE 17 HB2 PHE 17 3.117 -3.652 -3.443 142 2HB PHE 17 HB1 PHE 17 3.765 -4.353 -1.967 143 HD1 PHE 17 HD1 PHE 17 0.769 -3.149 -3.680 144 HD2 PHE 17 HD2 PHE 17 2.330 -4.566 0.063 145 HE1 PHE 17 HE1 PHE 17 -1.540 -3.533 -2.863 146 HE2 PHE 17 HE2 PHE 17 0.020 -4.948 0.880 147 HZ PHE 17 HZ PHE 17 -1.914 -4.431 -0.582 148 H ILE 18 HN ILE 18 3.361 -0.829 -4.051 149 HA ILE 18 HA ILE 18 1.801 1.375 -3.156 150 HB ILE 18 HB ILE 18 2.203 0.055 -5.856 151 1HG1 ILE 18 HG12 ILE 18 3.311 2.720 -5.212 152 2HG1 ILE 18 HG11 ILE 18 3.972 1.394 -4.260 153 1HG2 ILE 18 HG21 ILE 18 1.380 2.172 -6.836 154 2HG2 ILE 18 HG22 ILE 18 0.985 2.764 -5.222 155 3HG2 ILE 18 HG23 ILE 18 0.118 1.381 -5.891 156 1HD1 ILE 18 HD11 ILE 18 3.772 1.352 -7.284 157 2HD1 ILE 18 HD12 ILE 18 4.612 0.190 -6.257 158 3HD1 ILE 18 HD13 ILE 18 5.222 1.837 -6.405 159 H ARG 19 HN ARG 19 -0.404 1.687 -2.988 160 HA ARG 19 HA ARG 19 -2.133 -0.686 -3.444 161 1HB ARG 19 HB2 ARG 19 -3.322 -0.026 -1.555 162 2HB ARG 19 HB1 ARG 19 -1.712 0.549 -1.149 163 1HG ARG 19 HG2 ARG 19 -3.789 2.303 -2.491 164 2HG ARG 19 HG1 ARG 19 -3.606 2.201 -0.743 165 1HD ARG 19 HD2 ARG 19 -1.072 2.717 -1.233 166 2HD ARG 19 HD1 ARG 19 -1.699 3.355 -2.766 167 HE ARG 19 HE ARG 19 -3.002 4.235 -0.236 168 1HH1 ARG 19 HH11 ARG 19 -0.357 5.580 -0.593 169 2HH1 ARG 19 HH12 ARG 19 -0.774 6.976 -1.528 170 1HH2 ARG 19 HH21 ARG 19 -3.871 5.724 -2.495 171 2HH2 ARG 19 HH22 ARG 19 -2.774 7.060 -2.607 172 HA PRO 20 HA PRO 20 -4.057 1.502 -6.760 173 1HB PRO 20 HB2 PRO 20 -6.280 -0.091 -6.972 174 2HB PRO 20 HB1 PRO 20 -4.680 -0.560 -7.585 175 1HG PRO 20 HG2 PRO 20 -6.058 -1.367 -5.075 176 2HG PRO 20 HG1 PRO 20 -5.047 -2.324 -6.164 177 1HD PRO 20 HD2 PRO 20 -4.148 -1.317 -3.802 178 2HD PRO 20 HD1 PRO 20 -3.099 -1.607 -5.202 179 H ILE 21 HN ILE 21 -6.360 2.371 -7.227 180 HA ILE 21 HA ILE 21 -7.228 3.983 -4.958 181 HB ILE 21 HB ILE 21 -8.333 3.650 -7.772 182 1HG1 ILE 21 HG12 ILE 21 -6.810 6.058 -7.302 183 2HG1 ILE 21 HG11 ILE 21 -5.832 4.651 -6.895 184 1HG2 ILE 21 HG21 ILE 21 -8.735 5.721 -5.606 185 2HG2 ILE 21 HG22 ILE 21 -9.963 4.821 -6.498 186 3HG2 ILE 21 HG23 ILE 21 -9.034 6.084 -7.306 187 1HD1 ILE 21 HD11 ILE 21 -5.560 5.206 -9.270 188 2HD1 ILE 21 HD12 ILE 21 -7.304 5.097 -9.509 189 3HD1 ILE 21 HD13 ILE 21 -6.378 3.653 -9.101 190 H GLY 22 HN GLY 22 -9.616 4.116 -4.450 191 1HA GLY 22 HA2 GLY 22 -11.813 3.007 -4.381 192 2HA GLY 22 HA1 GLY 22 -10.983 1.471 -4.626 193 H CYS 23 HN CYS 23 -9.143 1.187 -2.858 194 HA CYS 23 HA CYS 23 -10.447 0.942 -0.294 195 1HB CYS 23 HB2 CYS 23 -7.644 0.652 -1.357 196 2HB CYS 23 HB1 CYS 23 -7.971 0.431 0.352 197 H ASP 24 HN ASP 24 -8.308 3.342 -1.724 198 HA ASP 24 HA ASP 24 -7.662 4.763 0.713 199 1HB ASP 24 HB2 ASP 24 -7.640 5.460 -2.238 200 2HB ASP 24 HB1 ASP 24 -6.961 6.503 -0.994 201 H VAL 25 HN VAL 25 -10.652 4.464 -0.803 202 HA VAL 25 HA VAL 25 -11.625 6.986 0.409 203 HB VAL 25 HB VAL 25 -12.317 6.045 -2.398 204 1HG1 VAL 25 HG11 VAL 25 -13.667 7.756 -0.718 205 2HG1 VAL 25 HG12 VAL 25 -13.768 7.787 -2.477 206 3HG1 VAL 25 HG13 VAL 25 -12.657 8.869 -1.639 207 1HG2 VAL 25 HG21 VAL 25 -10.054 6.707 -2.603 208 2HG2 VAL 25 HG22 VAL 25 -10.232 7.999 -1.415 209 3HG2 VAL 25 HG23 VAL 25 -10.952 8.168 -3.016 210 H CYS 26 HN CYS 26 -12.273 5.174 1.936 211 HA CYS 26 HA CYS 26 -14.003 3.046 1.426 212 1HB CYS 26 HB2 CYS 26 -13.702 5.002 3.702 213 2HB CYS 26 HB1 CYS 26 -14.863 3.683 3.804 214 H TYR 27 HN TYR 27 -14.756 6.468 1.295 215 HA TYR 27 HA TYR 27 -17.676 5.868 1.154 216 1HB TYR 27 HB2 TYR 27 -16.310 8.566 1.284 217 2HB TYR 27 HB1 TYR 27 -17.973 8.179 1.713 218 HD1 TYR 27 HD1 TYR 27 -14.587 8.453 2.899 219 HD2 TYR 27 HD2 TYR 27 -18.375 6.589 3.695 220 HE1 TYR 27 HE1 TYR 27 -13.878 8.006 5.231 221 HE2 TYR 27 HE2 TYR 27 -17.664 6.142 6.028 222 HH TYR 27 HH TYR 27 -15.081 5.870 7.135 223 H GLY 28 HN GLY 28 -18.647 5.904 -0.827 224 1HA GLY 28 HA2 GLY 28 -19.054 7.117 -2.940 225 2HA GLY 28 HA1 GLY 28 -17.322 7.419 -3.036 226 H ILE 29 HN ILE 29 -16.816 4.536 -2.147 227 HA ILE 29 HA ILE 29 -16.782 3.407 -4.839 228 HB ILE 29 HB ILE 29 -15.547 1.587 -3.755 229 1HG1 ILE 29 HG12 ILE 29 -16.287 2.947 -1.140 230 2HG1 ILE 29 HG11 ILE 29 -16.971 1.429 -1.721 231 1HG2 ILE 29 HG21 ILE 29 -13.748 2.950 -2.682 232 2HG2 ILE 29 HG22 ILE 29 -14.830 4.342 -2.719 233 3HG2 ILE 29 HG23 ILE 29 -14.289 3.605 -4.227 234 1HD1 ILE 29 HD11 ILE 29 -14.357 0.819 -1.928 235 2HD1 ILE 29 HD12 ILE 29 -15.276 0.548 -0.448 236 3HD1 ILE 29 HD13 ILE 29 -14.267 1.985 -0.609 237 HA PRO 30 HA PRO 30 -20.371 0.919 -4.632 238 1HB PRO 30 HB2 PRO 30 -19.561 -1.311 -6.009 239 2HB PRO 30 HB1 PRO 30 -19.941 0.241 -6.782 240 1HG PRO 30 HG2 PRO 30 -17.319 -0.985 -6.189 241 2HG PRO 30 HG1 PRO 30 -17.796 0.075 -7.518 242 1HD PRO 30 HD2 PRO 30 -16.356 0.873 -5.292 243 2HD PRO 30 HD1 PRO 30 -17.268 1.957 -6.358 244 H SER 31 HN SER 31 -21.301 -0.978 -3.656 245 HA SER 31 HA SER 31 -20.248 -1.780 -1.159 246 1HB SER 31 HB2 SER 31 -22.617 -1.897 -2.187 247 2HB SER 31 HB1 SER 31 -22.109 -3.438 -2.868 248 HG SER 31 HG SER 31 -21.798 -4.224 -0.823 249 H SER 32 HN SER 32 -20.065 -3.460 -4.314 250 HA SER 32 HA SER 32 -18.836 -5.866 -3.357 251 1HB SER 32 HB2 SER 32 -19.915 -5.191 -5.649 252 2HB SER 32 HB1 SER 32 -18.294 -4.634 -6.056 253 HG SER 32 HG SER 32 -17.547 -6.744 -5.560 254 H THR 33 HN THR 33 -17.405 -2.829 -4.598 255 HA THR 33 HA THR 33 -14.660 -3.682 -4.402 256 HB THR 33 HB THR 33 -16.014 -0.970 -4.267 257 HG1 THR 33 HG1 THR 33 -15.257 -0.909 -6.445 258 1HG2 THR 33 HG21 THR 33 -13.922 -0.496 -3.342 259 2HG2 THR 33 HG22 THR 33 -13.613 -0.265 -5.063 260 3HG2 THR 33 HG23 THR 33 -13.114 -1.759 -4.270 261 H ALA 34 HN ALA 34 -16.865 -2.032 -2.139 262 HA ALA 34 HA ALA 34 -15.052 -1.491 -0.035 263 1HB ALA 34 HB1 ALA 34 -17.103 -1.442 1.337 264 2HB ALA 34 HB2 ALA 34 -17.965 -2.340 0.088 265 3HB ALA 34 HB3 ALA 34 -17.403 -0.700 -0.235 266 H ARG 35 HN ARG 35 -16.938 -4.455 -0.704 267 HA ARG 35 HA ARG 35 -16.100 -5.912 1.633 268 1HB ARG 35 HB2 ARG 35 -17.016 -6.775 -1.134 269 2HB ARG 35 HB1 ARG 35 -16.824 -7.882 0.223 270 1HG ARG 35 HG2 ARG 35 -18.605 -6.975 1.405 271 2HG ARG 35 HG1 ARG 35 -18.479 -5.411 0.600 272 1HD ARG 35 HD2 ARG 35 -19.708 -6.100 -1.232 273 2HD ARG 35 HD1 ARG 35 -19.160 -7.783 -1.096 274 HE ARG 35 HE ARG 35 -21.045 -6.587 0.904 275 1HH1 ARG 35 HH21 ARG 35 -22.477 -7.816 -1.338 276 2HH1 ARG 35 HH22 ARG 35 -22.646 -9.468 -0.851 277 1HH2 ARG 35 HH11 ARG 35 -20.180 -9.272 1.593 278 2HH2 ARG 35 HH12 ARG 35 -21.338 -10.299 0.816 279 H LEU 36 HN LEU 36 -14.786 -5.709 -1.675 280 HA LEU 36 HA LEU 36 -12.642 -7.609 -1.261 281 1HB LEU 36 HB2 LEU 36 -13.789 -6.382 -3.384 282 2HB LEU 36 HB1 LEU 36 -12.362 -5.362 -3.200 283 HG LEU 36 HG LEU 36 -11.024 -7.567 -3.086 284 1HD1 LEU 36 HD11 LEU 36 -13.587 -8.579 -4.361 285 2HD1 LEU 36 HD12 LEU 36 -13.012 -9.024 -2.754 286 3HD1 LEU 36 HD13 LEU 36 -12.087 -9.489 -4.181 287 1HD2 LEU 36 HD21 LEU 36 -12.450 -6.832 -5.665 288 2HD2 LEU 36 HD22 LEU 36 -10.917 -7.696 -5.540 289 3HD2 LEU 36 HD23 LEU 36 -11.025 -6.013 -5.025 290 H CYS 37 HN CYS 37 -12.917 -4.078 -0.899 291 HA CYS 37 HA CYS 37 -10.127 -3.547 -0.403 292 1HB CYS 37 HB2 CYS 37 -12.754 -2.199 -0.214 293 2HB CYS 37 HB1 CYS 37 -11.538 -1.587 0.900 294 H CYS 38 HN CYS 38 -12.819 -4.550 1.673 295 HA CYS 38 HA CYS 38 -11.271 -4.158 4.151 296 1HB CYS 38 HB2 CYS 38 -13.655 -3.714 4.129 297 2HB CYS 38 HB1 CYS 38 -13.993 -5.307 3.461 298 H PHE 39 HN PHE 39 -12.318 -6.808 2.043 299 HA PHE 39 HA PHE 39 -11.500 -8.975 3.759 300 1HB PHE 39 HB2 PHE 39 -13.095 -9.414 2.066 301 2HB PHE 39 HB1 PHE 39 -12.130 -8.610 0.831 302 HD1 PHE 39 HD1 PHE 39 -12.089 -11.547 3.151 303 HD2 PHE 39 HD2 PHE 39 -10.669 -9.853 -0.532 304 HE1 PHE 39 HE1 PHE 39 -11.035 -13.713 2.562 305 HE2 PHE 39 HE2 PHE 39 -9.615 -12.019 -1.121 306 HZ PHE 39 HZ PHE 39 -9.798 -13.948 0.426 307 H ARG 40 HN ARG 40 -9.854 -7.264 1.084 308 HA ARG 40 HA ARG 40 -7.439 -8.948 1.492 309 1HB ARG 40 HB2 ARG 40 -8.741 -7.560 -0.665 310 2HB ARG 40 HB1 ARG 40 -7.083 -6.991 -0.528 311 1HG ARG 40 HG2 ARG 40 -6.629 -9.625 -0.247 312 2HG ARG 40 HG1 ARG 40 -8.099 -9.703 -1.219 313 1HD ARG 40 HD2 ARG 40 -6.371 -9.612 -2.844 314 2HD ARG 40 HD1 ARG 40 -6.904 -7.924 -2.730 315 HE ARG 40 HE ARG 40 -4.998 -7.529 -1.165 316 1HH1 ARG 40 HH21 ARG 40 -4.384 -10.380 -0.491 317 2HH1 ARG 40 HH22 ARG 40 -2.986 -10.693 -1.463 318 1HH2 ARG 40 HH11 ARG 40 -3.481 -7.938 -3.525 319 2HH2 ARG 40 HH12 ARG 40 -2.472 -9.304 -3.188 320 H TYR 41 HN TYR 41 -8.164 -5.430 1.229 321 HA TYR 41 HA TYR 41 -5.539 -4.761 2.326 322 1HB TYR 41 HB2 TYR 41 -7.972 -3.126 1.578 323 2HB TYR 41 HB1 TYR 41 -6.422 -2.437 2.048 324 HD1 TYR 41 HD1 TYR 41 -4.515 -2.488 0.572 325 HD2 TYR 41 HD2 TYR 41 -8.189 -4.427 -0.525 326 HE1 TYR 41 HE1 TYR 41 -3.690 -2.737 -1.751 327 HE2 TYR 41 HE2 TYR 41 -7.361 -4.679 -2.848 328 HH TYR 41 HH TYR 41 -4.616 -4.735 -3.823 329 H GLY 42 HN GLY 42 -8.882 -4.762 3.503 330 1HA GLY 42 HA2 GLY 42 -9.417 -5.092 5.833 331 2HA GLY 42 HA1 GLY 42 -7.822 -4.487 6.262 332 H ASP 43 HN ASP 43 -9.348 -2.556 3.869 333 HA ASP 43 HA ASP 43 -9.972 -0.503 5.948 334 1HB ASP 43 HB2 ASP 43 -9.839 0.106 3.020 335 2HB ASP 43 HB1 ASP 43 -9.326 1.087 4.382 336 H CYS 44 HN CYS 44 -11.926 0.793 5.617 337 HA CYS 44 HA CYS 44 -14.233 1.063 5.177 338 1HB CYS 44 HB2 CYS 44 -13.761 -0.786 2.834 339 2HB CYS 44 HB1 CYS 44 -14.935 0.513 2.956 340 H CYS 45 HN CYS 45 -13.381 -1.053 6.955 341 HA CYS 45 HA CYS 45 -15.028 -3.421 6.333 342 1HB CYS 45 HB2 CYS 45 -13.172 -2.553 8.558 343 2HB CYS 45 HB1 CYS 45 -14.080 -4.060 8.639 344 H HIS 46 HN HIS 46 -14.811 -1.169 9.113 345 HA HIS 46 HA HIS 46 -17.662 -1.732 9.754 346 1HB HIS 46 HB2 HIS 46 -15.234 -0.700 11.189 347 2HB HIS 46 HB1 HIS 46 -16.828 -0.290 11.822 348 HD1 HIS 46 HD1 HIS 46 -18.461 -2.448 12.229 349 HD2 HIS 46 HD2 HIS 46 -14.382 -3.242 11.896 350 HE1 HIS 46 HE1 HIS 46 -18.101 -4.765 13.188 351 H LEU 47 HN LEU 47 -17.978 -0.334 7.627 352 HA LEU 47 HA LEU 47 -17.845 2.589 8.194 353 1HB LEU 47 HB2 LEU 47 -17.221 1.070 6.002 354 2HB LEU 47 HB1 LEU 47 -18.867 1.568 5.608 355 HG LEU 47 HG LEU 47 -18.030 3.946 6.350 356 1HD1 LEU 47 HD11 LEU 47 -15.446 2.530 5.625 357 2HD1 LEU 47 HD12 LEU 47 -15.854 3.200 7.205 358 3HD1 LEU 47 HD13 LEU 47 -15.623 4.272 5.825 359 1HD2 LEU 47 HD21 LEU 47 -18.699 3.706 4.110 360 2HD2 LEU 47 HD22 LEU 47 -17.472 2.485 3.775 361 3HD2 LEU 47 HD23 LEU 47 -17.007 4.177 3.951 Start of MODEL 9 1 1H HIS 1 HT1 HIS 1 -7.422 -4.627 -9.618 2 2H HIS 1 HT2 HIS 1 -8.562 -3.539 -8.979 3 3H HIS 1 HT3 HIS 1 -7.846 -4.710 -7.978 4 HA HIS 1 HA HIS 1 -5.714 -3.645 -8.111 5 1HB HIS 1 HB2 HIS 1 -7.141 -2.430 -10.410 6 2HB HIS 1 HB1 HIS 1 -6.065 -1.338 -9.541 7 HD1 HIS 1 HD1 HIS 1 -3.641 -1.495 -10.131 8 HD2 HIS 1 HD2 HIS 1 -5.713 -4.951 -11.201 9 HE1 HIS 1 HE1 HIS 1 -1.990 -2.969 -11.362 10 H SER 2 HN SER 2 -5.267 -2.085 -6.507 11 HA SER 2 HA SER 2 -7.649 -0.719 -5.322 12 1HB SER 2 HB2 SER 2 -6.178 -2.388 -4.049 13 2HB SER 2 HB1 SER 2 -4.909 -1.169 -4.107 14 HG SER 2 HG SER 2 -6.201 0.205 -2.931 15 H SER 3 HN SER 3 -7.785 1.334 -6.212 16 HA SER 3 HA SER 3 -5.298 3.008 -6.184 17 1HB SER 3 HB2 SER 3 -6.426 4.101 -8.232 18 2HB SER 3 HB1 SER 3 -5.755 2.490 -8.464 19 HG SER 3 HG SER 3 -8.450 3.280 -8.123 20 H GLY 4 HN GLY 4 -6.257 3.528 -3.969 21 1HA GLY 4 HA2 GLY 4 -7.144 5.302 -2.682 22 2HA GLY 4 HA1 GLY 4 -7.815 5.992 -4.159 23 H TYR 5 HN TYR 5 -9.412 5.993 -1.939 24 HA TYR 5 HA TYR 5 -11.459 3.901 -2.593 25 1HB TYR 5 HB2 TYR 5 -10.363 4.861 0.058 26 2HB TYR 5 HB1 TYR 5 -11.935 4.071 -0.049 27 HD1 TYR 5 HD1 TYR 5 -8.341 3.606 -0.044 28 HD2 TYR 5 HD2 TYR 5 -12.082 1.739 -1.036 29 HE1 TYR 5 HE1 TYR 5 -7.227 1.391 -0.078 30 HE2 TYR 5 HE2 TYR 5 -10.966 -0.475 -1.071 31 HH TYR 5 HH TYR 5 -7.828 -0.949 -1.364 32 H THR 6 HN THR 6 -13.513 4.758 -2.891 33 HA THR 6 HA THR 6 -13.854 7.682 -2.368 34 HB THR 6 HB THR 6 -14.025 6.836 -4.707 35 HG1 THR 6 HG1 THR 6 -16.522 7.667 -3.645 36 1HG2 THR 6 HG21 THR 6 -15.138 4.943 -5.191 37 2HG2 THR 6 HG22 THR 6 -16.624 5.606 -4.512 38 3HG2 THR 6 HG23 THR 6 -15.489 4.745 -3.474 39 H ARG 7 HN ARG 7 -14.140 6.320 -0.084 40 HA ARG 7 HA ARG 7 -15.613 5.996 1.722 41 1HB ARG 7 HB2 ARG 7 -16.460 8.164 0.776 42 2HB ARG 7 HB1 ARG 7 -17.618 7.241 -0.178 43 1HG ARG 7 HG2 ARG 7 -17.916 6.244 2.418 44 2HG ARG 7 HG1 ARG 7 -17.736 7.986 2.632 45 1HD ARG 7 HD2 ARG 7 -20.094 7.573 2.295 46 2HD ARG 7 HD1 ARG 7 -19.487 8.255 0.773 47 HE ARG 7 HE ARG 7 -19.651 5.288 1.168 48 1HH1 ARG 7 HH11 ARG 7 -22.177 6.526 0.187 49 2HH1 ARG 7 HH12 ARG 7 -21.991 6.452 -1.532 50 1HH2 ARG 7 HH21 ARG 7 -18.561 5.907 -1.400 51 2HH2 ARG 7 HH22 ARG 7 -19.938 6.105 -2.434 52 HA PRO 8 HA PRO 8 -17.350 2.100 0.366 53 1HB PRO 8 HB2 PRO 8 -17.583 1.015 2.863 54 2HB PRO 8 HB1 PRO 8 -16.043 1.100 1.987 55 1HG PRO 8 HG2 PRO 8 -17.045 2.777 4.213 56 2HG PRO 8 HG1 PRO 8 -15.395 2.262 3.838 57 1HD PRO 8 HD2 PRO 8 -16.439 4.771 3.313 58 2HD PRO 8 HD1 PRO 8 -15.011 4.072 2.522 59 H LEU 9 HN LEU 9 -19.417 0.943 0.782 60 HA LEU 9 HA LEU 9 -21.646 2.774 1.158 61 1HB LEU 9 HB2 LEU 9 -21.129 0.306 -0.070 62 2HB LEU 9 HB1 LEU 9 -22.268 -0.081 1.217 63 HG LEU 9 HG LEU 9 -23.417 0.505 -0.909 64 1HD1 LEU 9 HD11 LEU 9 -24.355 1.018 1.417 65 2HD1 LEU 9 HD12 LEU 9 -25.057 1.924 0.077 66 3HD1 LEU 9 HD13 LEU 9 -23.869 2.690 1.132 67 1HD2 LEU 9 HD21 LEU 9 -21.510 2.253 -1.419 68 2HD2 LEU 9 HD22 LEU 9 -22.548 3.357 -0.517 69 3HD2 LEU 9 HD23 LEU 9 -23.154 2.569 -1.973 70 H ARG 10 HN ARG 10 -22.068 3.470 3.229 71 HA ARG 10 HA ARG 10 -22.630 3.404 5.514 72 1HB ARG 10 HB2 ARG 10 -24.186 1.664 4.457 73 2HB ARG 10 HB1 ARG 10 -23.047 0.442 5.022 74 1HG ARG 10 HG2 ARG 10 -24.617 0.559 6.774 75 2HG ARG 10 HG1 ARG 10 -23.302 1.588 7.342 76 1HD ARG 10 HD2 ARG 10 -24.582 3.552 6.271 77 2HD ARG 10 HD1 ARG 10 -25.962 2.440 6.171 78 HE ARG 10 HE ARG 10 -24.550 2.897 8.773 79 1HH1 ARG 10 HH11 ARG 10 -26.739 0.954 8.838 80 2HH1 ARG 10 HH12 ARG 10 -28.119 1.913 9.256 81 1HH2 ARG 10 HH21 ARG 10 -26.600 4.929 8.431 82 2HH2 ARG 10 HH22 ARG 10 -28.041 4.173 9.025 83 H LYS 11 HN LYS 11 -20.511 3.843 6.281 84 HA LYS 11 HA LYS 11 -18.392 1.941 6.546 85 1HB LYS 11 HB2 LYS 11 -19.125 4.637 7.580 86 2HB LYS 11 HB1 LYS 11 -17.866 3.770 8.460 87 1HG LYS 11 HG2 LYS 11 -16.460 3.642 6.566 88 2HG LYS 11 HG1 LYS 11 -17.781 4.001 5.454 89 1HD LYS 11 HD2 LYS 11 -16.511 6.015 5.602 90 2HD LYS 11 HD1 LYS 11 -17.941 6.282 6.598 91 1HE LYS 11 HE2 LYS 11 -16.148 7.039 7.965 92 2HE LYS 11 HE1 LYS 11 -16.460 5.399 8.564 93 1HZ LYS 11 HZ1 LYS 11 -14.075 5.871 8.025 94 2HZ LYS 11 HZ2 LYS 11 -14.524 6.003 6.392 95 3HZ LYS 11 HZ3 LYS 11 -14.727 4.531 7.216 96 HA PRO 12 HA PRO 12 -20.324 -0.197 10.020 97 1HB PRO 12 HB2 PRO 12 -18.763 -2.436 9.835 98 2HB PRO 12 HB1 PRO 12 -20.159 -2.150 8.780 99 1HG PRO 12 HG2 PRO 12 -17.270 -1.881 8.205 100 2HG PRO 12 HG1 PRO 12 -18.599 -2.351 7.137 101 1HD PRO 12 HD2 PRO 12 -17.392 0.153 7.213 102 2HD PRO 12 HD1 PRO 12 -18.970 -0.216 6.490 103 H SER 13 HN SER 13 -18.642 -1.848 11.629 104 HA SER 13 HA SER 13 -17.265 0.102 13.251 105 1HB SER 13 HB2 SER 13 -16.782 -1.835 14.630 106 2HB SER 13 HB1 SER 13 -18.394 -2.055 13.960 107 HG SER 13 HG SER 13 -16.019 -3.402 13.429 108 H ARG 14 HN ARG 14 -14.856 -0.436 13.918 109 HA ARG 14 HA ARG 14 -13.060 0.211 11.890 110 1HB ARG 14 HB2 ARG 14 -11.352 -0.834 13.470 111 2HB ARG 14 HB1 ARG 14 -12.449 0.332 14.206 112 1HG ARG 14 HG2 ARG 14 -13.298 -1.230 15.599 113 2HG ARG 14 HG1 ARG 14 -13.575 -2.354 14.270 114 1HD ARG 14 HD2 ARG 14 -11.991 -3.405 15.771 115 2HD ARG 14 HD1 ARG 14 -11.071 -2.874 14.350 116 HE ARG 14 HE ARG 14 -10.069 -1.168 15.675 117 1HH1 ARG 14 HH21 ARG 14 -10.558 -3.302 17.867 118 2HH1 ARG 14 HH22 ARG 14 -11.187 -2.307 19.137 119 1HH2 ARG 14 HH11 ARG 14 -11.816 0.404 17.053 120 2HH2 ARG 14 HH12 ARG 14 -11.905 -0.200 18.673 121 HA PRO 15 HA PRO 15 -13.123 -3.755 9.734 122 1HB PRO 15 HB2 PRO 15 -12.403 -2.744 7.305 123 2HB PRO 15 HB1 PRO 15 -14.063 -2.675 7.923 124 1HG PRO 15 HG2 PRO 15 -12.065 -0.533 7.670 125 2HG PRO 15 HG1 PRO 15 -13.829 -0.436 7.706 126 1HD PRO 15 HD2 PRO 15 -12.039 0.130 9.825 127 2HD PRO 15 HD1 PRO 15 -13.811 0.053 9.905 128 H ILE 16 HN ILE 16 -11.412 -5.055 8.796 129 HA ILE 16 HA ILE 16 -8.768 -4.535 9.857 130 HB ILE 16 HB ILE 16 -8.216 -6.638 8.672 131 1HG1 ILE 16 HG12 ILE 16 -11.014 -6.472 7.508 132 2HG1 ILE 16 HG11 ILE 16 -9.557 -6.068 6.603 133 1HG2 ILE 16 HG21 ILE 16 -9.702 -6.497 10.811 134 2HG2 ILE 16 HG22 ILE 16 -9.608 -8.032 9.947 135 3HG2 ILE 16 HG23 ILE 16 -11.012 -6.986 9.736 136 1HD1 ILE 16 HD11 ILE 16 -8.682 -8.347 6.998 137 2HD1 ILE 16 HD12 ILE 16 -10.235 -8.396 6.164 138 3HD1 ILE 16 HD13 ILE 16 -10.149 -8.752 7.889 139 H PHE 17 HN PHE 17 -6.792 -4.266 8.518 140 HA PHE 17 HA PHE 17 -7.344 -2.931 5.897 141 1HB PHE 17 HB2 PHE 17 -6.861 -1.327 7.689 142 2HB PHE 17 HB1 PHE 17 -5.374 -2.190 8.078 143 HD1 PHE 17 HD1 PHE 17 -3.480 -1.037 7.365 144 HD2 PHE 17 HD2 PHE 17 -6.990 -1.025 4.886 145 HE1 PHE 17 HE1 PHE 17 -2.265 0.277 5.648 146 HE2 PHE 17 HE2 PHE 17 -5.774 0.288 3.171 147 HZ PHE 17 HZ PHE 17 -3.412 0.940 3.552 148 H ILE 18 HN ILE 18 -5.989 -3.461 4.232 149 HA ILE 18 HA ILE 18 -4.023 -5.650 4.678 150 HB ILE 18 HB ILE 18 -4.230 -5.934 2.244 151 1HG1 ILE 18 HG12 ILE 18 -6.125 -3.564 2.288 152 2HG1 ILE 18 HG11 ILE 18 -4.438 -3.439 1.794 153 1HG2 ILE 18 HG21 ILE 18 -6.448 -6.724 2.204 154 2HG2 ILE 18 HG22 ILE 18 -7.027 -5.424 3.245 155 3HG2 ILE 18 HG23 ILE 18 -6.046 -6.724 3.921 156 1HD1 ILE 18 HD11 ILE 18 -5.934 -5.633 0.501 157 2HD1 ILE 18 HD12 ILE 18 -4.818 -4.461 -0.203 158 3HD1 ILE 18 HD13 ILE 18 -6.499 -4.014 0.088 159 H ARG 19 HN ARG 19 -2.129 -5.372 2.880 160 HA ARG 19 HA ARG 19 -0.377 -3.362 3.770 161 1HB ARG 19 HB2 ARG 19 1.042 -4.161 2.073 162 2HB ARG 19 HB1 ARG 19 -0.048 -5.520 2.317 163 1HG ARG 19 HG2 ARG 19 -0.476 -3.396 0.191 164 2HG ARG 19 HG1 ARG 19 0.357 -4.918 -0.109 165 1HD ARG 19 HD2 ARG 19 -1.660 -6.175 0.584 166 2HD ARG 19 HD1 ARG 19 -2.507 -4.643 0.877 167 HE ARG 19 HE ARG 19 -1.906 -4.149 -1.606 168 1HH1 ARG 19 HH11 ARG 19 -4.007 -6.396 -0.596 169 2HH1 ARG 19 HH12 ARG 19 -3.852 -7.484 -1.933 170 1HH2 ARG 19 HH21 ARG 19 -1.012 -5.932 -3.206 171 2HH2 ARG 19 HH22 ARG 19 -2.150 -7.222 -3.418 172 HA PRO 20 HA PRO 20 -2.023 0.293 1.932 173 1HB PRO 20 HB2 PRO 20 0.220 1.861 2.133 174 2HB PRO 20 HB1 PRO 20 -0.835 1.481 3.512 175 1HG PRO 20 HG2 PRO 20 1.774 0.279 2.735 176 2HG PRO 20 HG1 PRO 20 1.144 0.665 4.341 177 1HD PRO 20 HD2 PRO 20 1.163 -1.855 3.320 178 2HD PRO 20 HD1 PRO 20 -0.041 -1.287 4.491 179 H ILE 21 HN ILE 21 -1.362 1.892 0.154 180 HA ILE 21 HA ILE 21 -0.576 0.417 -2.230 181 HB ILE 21 HB ILE 21 -1.138 3.367 -1.752 182 1HG1 ILE 21 HG12 ILE 21 -3.261 1.876 -3.024 183 2HG1 ILE 21 HG11 ILE 21 -2.843 1.124 -1.487 184 1HG2 ILE 21 HG21 ILE 21 -1.885 3.163 -4.209 185 2HG2 ILE 21 HG22 ILE 21 -0.986 1.647 -4.233 186 3HG2 ILE 21 HG23 ILE 21 -0.148 3.164 -3.904 187 1HD1 ILE 21 HD11 ILE 21 -4.482 2.769 -0.952 188 2HD1 ILE 21 HD12 ILE 21 -3.716 3.974 -1.987 189 3HD1 ILE 21 HD13 ILE 21 -2.939 3.482 -0.482 190 H GLY 22 HN GLY 22 1.103 1.382 -3.720 191 1HA GLY 22 HA2 GLY 22 3.162 2.711 -3.982 192 2HA GLY 22 HA1 GLY 22 3.415 2.556 -2.244 193 H CYS 23 HN CYS 23 3.365 0.089 -1.564 194 HA CYS 23 HA CYS 23 5.638 -1.205 -2.778 195 1HB CYS 23 HB2 CYS 23 3.505 -1.925 -0.780 196 2HB CYS 23 HB1 CYS 23 4.664 -3.139 -1.292 197 H ASP 24 HN ASP 24 2.171 -1.441 -3.260 198 HA ASP 24 HA ASP 24 2.199 -3.917 -4.779 199 1HB ASP 24 HB2 ASP 24 0.237 -1.628 -4.437 200 2HB ASP 24 HB1 ASP 24 -0.151 -3.117 -5.293 201 H VAL 25 HN VAL 25 3.535 -0.974 -5.610 202 HA VAL 25 HA VAL 25 3.185 -1.504 -8.505 203 HB VAL 25 HB VAL 25 2.949 1.253 -7.257 204 1HG1 VAL 25 HG11 VAL 25 2.307 1.976 -9.392 205 2HG1 VAL 25 HG12 VAL 25 1.842 0.355 -9.908 206 3HG1 VAL 25 HG13 VAL 25 3.547 0.778 -9.760 207 1HG2 VAL 25 HG21 VAL 25 0.809 -0.795 -7.870 208 2HG2 VAL 25 HG22 VAL 25 0.451 0.931 -7.847 209 3HG2 VAL 25 HG23 VAL 25 1.040 0.134 -6.389 210 H CYS 26 HN CYS 26 5.420 -2.349 -7.793 211 HA CYS 26 HA CYS 26 7.588 -0.820 -6.911 212 1HB CYS 26 HB2 CYS 26 7.278 -3.071 -8.898 213 2HB CYS 26 HB1 CYS 26 8.871 -2.438 -8.499 214 H TYR 27 HN TYR 27 5.955 -0.605 -10.007 215 HA TYR 27 HA TYR 27 8.155 1.096 -11.095 216 1HB TYR 27 HB2 TYR 27 5.725 0.016 -12.539 217 2HB TYR 27 HB1 TYR 27 7.246 0.554 -13.242 218 HD1 TYR 27 HD1 TYR 27 5.404 -2.254 -12.015 219 HD2 TYR 27 HD2 TYR 27 9.392 -0.754 -12.566 220 HE1 TYR 27 HE1 TYR 27 6.295 -4.560 -11.842 221 HE2 TYR 27 HE2 TYR 27 10.282 -3.062 -12.394 222 HH TYR 27 HH TYR 27 9.107 -5.387 -11.098 223 H GLY 28 HN GLY 28 7.835 3.275 -11.182 224 1HA GLY 28 HA2 GLY 28 6.361 5.147 -11.858 225 2HA GLY 28 HA1 GLY 28 5.032 4.307 -11.066 226 H ILE 29 HN ILE 29 6.836 3.588 -8.741 227 HA ILE 29 HA ILE 29 6.384 6.068 -7.236 228 HB ILE 29 HB ILE 29 6.952 4.673 -5.308 229 1HG1 ILE 29 HG12 ILE 29 7.686 2.522 -7.320 230 2HG1 ILE 29 HG11 ILE 29 8.857 3.474 -6.408 231 1HG2 ILE 29 HG21 ILE 29 5.231 2.972 -5.543 232 2HG2 ILE 29 HG22 ILE 29 5.319 3.080 -7.301 233 3HG2 ILE 29 HG23 ILE 29 4.705 4.442 -6.363 234 1HD1 ILE 29 HD11 ILE 29 7.723 2.666 -4.293 235 2HD1 ILE 29 HD12 ILE 29 8.543 1.405 -5.214 236 3HD1 ILE 29 HD13 ILE 29 6.788 1.559 -5.298 237 HA PRO 30 HA PRO 30 10.500 7.547 -7.255 238 1HB PRO 30 HB2 PRO 30 10.702 8.601 -4.731 239 2HB PRO 30 HB1 PRO 30 9.778 9.359 -6.043 240 1HG PRO 30 HG2 PRO 30 8.829 7.810 -3.714 241 2HG PRO 30 HG1 PRO 30 8.052 9.136 -4.580 242 1HD PRO 30 HD2 PRO 30 7.402 6.455 -4.855 243 2HD PRO 30 HD1 PRO 30 7.005 7.728 -6.023 244 H SER 31 HN SER 31 12.653 7.154 -6.427 245 HA SER 31 HA SER 31 13.222 4.488 -5.642 246 1HB SER 31 HB2 SER 31 14.678 6.319 -6.732 247 2HB SER 31 HB1 SER 31 14.987 6.877 -5.091 248 HG SER 31 HG SER 31 16.508 5.293 -5.968 249 H SER 32 HN SER 32 12.994 7.451 -3.646 250 HA SER 32 HA SER 32 13.885 6.320 -1.182 251 1HB SER 32 HB2 SER 32 13.373 8.766 -1.886 252 2HB SER 32 HB1 SER 32 11.705 8.400 -1.455 253 HG SER 32 HG SER 32 12.931 9.288 0.291 254 H THR 33 HN THR 33 10.586 6.573 -2.546 255 HA THR 33 HA THR 33 9.293 5.190 -0.348 256 HB THR 33 HB THR 33 8.526 5.578 -3.261 257 HG1 THR 33 HG1 THR 33 7.778 7.046 -0.948 258 1HG2 THR 33 HG21 THR 33 7.127 4.388 -0.926 259 2HG2 THR 33 HG22 THR 33 6.932 4.055 -2.647 260 3HG2 THR 33 HG23 THR 33 6.177 5.481 -1.934 261 H ALA 34 HN ALA 34 10.598 4.200 -3.506 262 HA ALA 34 HA ALA 34 9.783 1.457 -3.434 263 1HB ALA 34 HB1 ALA 34 11.493 1.229 -5.193 264 2HB ALA 34 HB2 ALA 34 12.214 2.763 -4.707 265 3HB ALA 34 HB3 ALA 34 10.600 2.733 -5.416 266 H ARG 35 HN ARG 35 12.707 3.108 -2.200 267 HA ARG 35 HA ARG 35 14.141 0.737 -1.419 268 1HB ARG 35 HB2 ARG 35 15.023 3.099 -1.646 269 2HB ARG 35 HB1 ARG 35 14.182 3.496 -0.147 270 1HG ARG 35 HG2 ARG 35 15.457 1.553 0.920 271 2HG ARG 35 HG1 ARG 35 16.449 1.530 -0.539 272 1HD ARG 35 HD2 ARG 35 17.627 3.350 0.135 273 2HD ARG 35 HD1 ARG 35 16.146 4.239 0.540 274 HE ARG 35 HE ARG 35 16.208 2.466 2.581 275 1HH1 ARG 35 HH21 ARG 35 17.194 5.274 2.996 276 2HH1 ARG 35 HH22 ARG 35 18.788 5.008 3.618 277 1HH2 ARG 35 HH11 ARG 35 18.925 1.696 2.570 278 2HH2 ARG 35 HH12 ARG 35 19.773 2.973 3.375 279 H LEU 36 HN LEU 36 11.837 2.845 0.302 280 HA LEU 36 HA LEU 36 11.945 1.516 2.852 281 1HB LEU 36 HB2 LEU 36 10.960 3.803 2.103 282 2HB LEU 36 HB1 LEU 36 9.527 2.880 1.656 283 HG LEU 36 HG LEU 36 10.594 2.280 4.348 284 1HD1 LEU 36 HD11 LEU 36 9.409 4.984 3.655 285 2HD1 LEU 36 HD12 LEU 36 10.990 4.671 4.372 286 3HD1 LEU 36 HD13 LEU 36 9.523 4.350 5.297 287 1HD2 LEU 36 HD21 LEU 36 8.311 2.018 4.856 288 2HD2 LEU 36 HD22 LEU 36 8.386 1.539 3.161 289 3HD2 LEU 36 HD23 LEU 36 7.804 3.145 3.599 290 H CYS 37 HN CYS 37 9.927 1.050 -0.043 291 HA CYS 37 HA CYS 37 8.137 -0.925 1.007 292 1HB CYS 37 HB2 CYS 37 9.006 0.182 -1.589 293 2HB CYS 37 HB1 CYS 37 8.409 -1.470 -1.673 294 H CYS 38 HN CYS 38 11.423 -1.142 -0.276 295 HA CYS 38 HA CYS 38 11.387 -4.087 -0.399 296 1HB CYS 38 HB2 CYS 38 12.642 -2.851 -2.053 297 2HB CYS 38 HB1 CYS 38 13.464 -1.915 -0.809 298 H PHE 39 HN PHE 39 12.709 -1.504 1.638 299 HA PHE 39 HA PHE 39 14.285 -3.143 3.390 300 1HB PHE 39 HB2 PHE 39 14.746 -0.832 3.323 301 2HB PHE 39 HB1 PHE 39 13.044 -0.397 3.449 302 HD1 PHE 39 HD1 PHE 39 15.830 -2.000 5.364 303 HD2 PHE 39 HD2 PHE 39 12.087 0.102 5.543 304 HE1 PHE 39 HE1 PHE 39 16.059 -1.801 7.825 305 HE2 PHE 39 HE2 PHE 39 12.318 0.301 8.003 306 HZ PHE 39 HZ PHE 39 14.303 -0.650 9.144 307 H ARG 40 HN ARG 40 10.897 -2.032 3.566 308 HA ARG 40 HA ARG 40 10.557 -3.482 6.141 309 1HB ARG 40 HB2 ARG 40 9.325 -1.221 4.698 310 2HB ARG 40 HB1 ARG 40 8.192 -2.234 5.589 311 1HG ARG 40 HG2 ARG 40 9.203 -1.792 7.649 312 2HG ARG 40 HG1 ARG 40 10.738 -1.341 6.908 313 1HD ARG 40 HD2 ARG 40 9.526 0.659 7.765 314 2HD ARG 40 HD1 ARG 40 9.687 0.721 5.999 315 HE ARG 40 HE ARG 40 7.344 0.419 5.830 316 1HH1 ARG 40 HH21 ARG 40 7.264 1.578 8.663 317 2HH1 ARG 40 HH22 ARG 40 6.249 0.426 9.463 318 1HH2 ARG 40 HH11 ARG 40 6.564 -1.973 6.966 319 2HH2 ARG 40 HH12 ARG 40 5.852 -1.594 8.498 320 H TYR 41 HN TYR 41 8.743 -3.213 3.036 321 HA TYR 41 HA TYR 41 7.233 -5.643 3.657 322 1HB TYR 41 HB2 TYR 41 7.396 -3.805 1.259 323 2HB TYR 41 HB1 TYR 41 6.270 -5.152 1.382 324 HD1 TYR 41 HD1 TYR 41 4.329 -5.050 2.796 325 HD2 TYR 41 HD2 TYR 41 7.227 -1.878 2.832 326 HE1 TYR 41 HE1 TYR 41 2.760 -3.632 4.087 327 HE2 TYR 41 HE2 TYR 41 5.658 -0.460 4.127 328 HH TYR 41 HH TYR 41 2.757 -1.721 5.525 329 H GLY 42 HN GLY 42 9.892 -4.759 1.486 330 1HA GLY 42 HA2 GLY 42 11.579 -6.372 0.841 331 2HA GLY 42 HA1 GLY 42 10.399 -7.657 1.067 332 H ASP 43 HN ASP 43 9.057 -4.986 -0.604 333 HA ASP 43 HA ASP 43 9.287 -6.493 -3.173 334 1HB ASP 43 HB2 ASP 43 7.371 -4.231 -2.763 335 2HB ASP 43 HB1 ASP 43 7.152 -5.722 -3.663 336 H CYS 44 HN CYS 44 9.606 -5.228 -5.140 337 HA CYS 44 HA CYS 44 10.690 -3.588 -6.447 338 1HB CYS 44 HB2 CYS 44 10.302 -1.741 -4.088 339 2HB CYS 44 HB1 CYS 44 10.317 -1.324 -5.792 340 H CYS 45 HN CYS 45 12.286 -5.327 -4.788 341 HA CYS 45 HA CYS 45 14.384 -3.709 -3.517 342 1HB CYS 45 HB2 CYS 45 13.872 -6.641 -4.050 343 2HB CYS 45 HB1 CYS 45 15.386 -6.088 -3.341 344 H HIS 46 HN HIS 46 14.379 -6.124 -6.163 345 HA HIS 46 HA HIS 46 16.851 -4.912 -7.267 346 1HB HIS 46 HB2 HIS 46 15.409 -7.500 -7.353 347 2HB HIS 46 HB1 HIS 46 16.220 -7.049 -8.853 348 HD1 HIS 46 HD1 HIS 46 18.835 -6.174 -8.414 349 HD2 HIS 46 HD2 HIS 46 17.132 -8.687 -5.556 350 HE1 HIS 46 HE1 HIS 46 20.756 -7.146 -7.078 351 H LEU 47 HN LEU 47 15.864 -2.944 -8.113 352 HA LEU 47 HA LEU 47 14.165 -3.403 -10.542 353 1HB LEU 47 HB2 LEU 47 13.568 -2.046 -8.166 354 2HB LEU 47 HB1 LEU 47 13.964 -0.764 -9.309 355 HG LEU 47 HG LEU 47 12.413 -2.321 -10.892 356 1HD1 LEU 47 HD11 LEU 47 11.091 -2.508 -8.178 357 2HD1 LEU 47 HD12 LEU 47 12.044 -3.830 -8.852 358 3HD1 LEU 47 HD13 LEU 47 10.592 -3.277 -9.685 359 1HD2 LEU 47 HD21 LEU 47 11.235 -0.351 -8.916 360 2HD2 LEU 47 HD22 LEU 47 10.691 -0.681 -10.560 361 3HD2 LEU 47 HD23 LEU 47 12.224 0.148 -10.288 Start of MODEL 10 1 1H HIS 1 HT1 HIS 1 30.988 4.439 -11.491 2 2H HIS 1 HT2 HIS 1 31.275 3.154 -12.564 3 3H HIS 1 HT3 HIS 1 30.796 2.838 -10.964 4 HA HIS 1 HA HIS 1 29.113 4.243 -12.983 5 1HB HIS 1 HB2 HIS 1 29.592 1.397 -12.225 6 2HB HIS 1 HB1 HIS 1 27.918 1.867 -12.514 7 HD1 HIS 1 HD1 HIS 1 27.371 2.885 -14.912 8 HD2 HIS 1 HD2 HIS 1 31.171 1.209 -14.536 9 HE1 HIS 1 HE1 HIS 1 28.261 2.590 -17.265 10 H SER 2 HN SER 2 27.178 5.003 -12.116 11 HA SER 2 HA SER 2 25.641 5.703 -10.476 12 1HB SER 2 HB2 SER 2 26.494 3.073 -9.219 13 2HB SER 2 HB1 SER 2 24.994 3.939 -8.898 14 HG SER 2 HG SER 2 24.508 2.439 -10.432 15 H SER 3 HN SER 3 27.315 7.407 -9.962 16 HA SER 3 HA SER 3 29.184 7.115 -7.791 17 1HB SER 3 HB2 SER 3 29.051 9.668 -7.890 18 2HB SER 3 HB1 SER 3 29.450 8.869 -9.407 19 HG SER 3 HG SER 3 27.817 10.404 -9.727 20 H GLY 4 HN GLY 4 28.929 7.546 -5.584 21 1HA GLY 4 HA2 GLY 4 27.772 8.415 -3.651 22 2HA GLY 4 HA1 GLY 4 26.298 8.509 -4.613 23 H TYR 5 HN TYR 5 25.551 6.254 -5.453 24 HA TYR 5 HA TYR 5 24.818 4.062 -4.999 25 1HB TYR 5 HB2 TYR 5 27.508 4.158 -4.386 26 2HB TYR 5 HB1 TYR 5 26.806 3.554 -2.885 27 HD1 TYR 5 HD1 TYR 5 27.832 2.706 -6.205 28 HD2 TYR 5 HD2 TYR 5 25.100 1.604 -3.077 29 HE1 TYR 5 HE1 TYR 5 27.556 0.467 -7.234 30 HE2 TYR 5 HE2 TYR 5 24.825 -0.634 -4.107 31 HH TYR 5 HH TYR 5 25.248 -1.446 -6.879 32 H THR 6 HN THR 6 22.904 3.998 -3.902 33 HA THR 6 HA THR 6 22.683 5.112 -1.171 34 HB THR 6 HB THR 6 20.662 3.867 -3.070 35 HG1 THR 6 HG1 THR 6 20.276 5.902 -3.712 36 1HG2 THR 6 HG21 THR 6 20.289 5.509 -0.548 37 2HG2 THR 6 HG22 THR 6 19.913 3.796 -0.732 38 3HG2 THR 6 HG23 THR 6 18.994 5.002 -1.632 39 H ARG 7 HN ARG 7 22.631 3.839 0.640 40 HA ARG 7 HA ARG 7 23.103 0.966 0.438 41 1HB ARG 7 HB2 ARG 7 22.676 2.943 2.692 42 2HB ARG 7 HB1 ARG 7 22.964 1.229 2.986 43 1HG ARG 7 HG2 ARG 7 25.175 1.519 2.705 44 2HG ARG 7 HG1 ARG 7 24.904 2.177 1.091 45 1HD ARG 7 HD2 ARG 7 25.449 4.244 1.834 46 2HD ARG 7 HD1 ARG 7 24.150 4.165 3.040 47 HE ARG 7 HE ARG 7 26.928 3.145 3.483 48 1HH1 ARG 7 HH11 ARG 7 24.675 1.883 5.100 49 2HH1 ARG 7 HH12 ARG 7 24.718 2.839 6.544 50 1HH2 ARG 7 HH21 ARG 7 26.628 5.372 5.121 51 2HH2 ARG 7 HH22 ARG 7 25.828 4.823 6.555 52 HA PRO 8 HA PRO 8 18.839 -0.210 0.625 53 1HB PRO 8 HB2 PRO 8 19.163 -2.815 1.392 54 2HB PRO 8 HB1 PRO 8 19.510 -2.242 -0.251 55 1HG PRO 8 HG2 PRO 8 21.377 -2.853 1.975 56 2HG PRO 8 HG1 PRO 8 21.574 -3.099 0.234 57 1HD PRO 8 HD2 PRO 8 22.708 -1.035 1.655 58 2HD PRO 8 HD1 PRO 8 22.390 -0.999 -0.092 59 H LEU 9 HN LEU 9 17.224 -0.375 2.218 60 HA LEU 9 HA LEU 9 17.970 0.224 4.969 61 1HB LEU 9 HB2 LEU 9 15.550 0.033 3.273 62 2HB LEU 9 HB1 LEU 9 15.284 -0.313 4.981 63 HG LEU 9 HG LEU 9 16.609 1.843 5.452 64 1HD1 LEU 9 HD11 LEU 9 15.952 2.251 2.517 65 2HD1 LEU 9 HD12 LEU 9 17.570 2.102 3.203 66 3HD1 LEU 9 HD13 LEU 9 16.567 3.496 3.604 67 1HD2 LEU 9 HD21 LEU 9 14.280 1.904 5.878 68 2HD2 LEU 9 HD22 LEU 9 13.877 1.753 4.167 69 3HD2 LEU 9 HD23 LEU 9 14.546 3.263 4.786 70 H ARG 10 HN ARG 10 16.915 -1.101 6.793 71 HA ARG 10 HA ARG 10 17.948 -3.748 6.866 72 1HB ARG 10 HB2 ARG 10 16.900 -1.931 8.627 73 2HB ARG 10 HB1 ARG 10 15.610 -3.132 8.578 74 1HG ARG 10 HG2 ARG 10 17.873 -4.706 8.731 75 2HG ARG 10 HG1 ARG 10 18.302 -3.325 9.742 76 1HD ARG 10 HD2 ARG 10 16.566 -3.725 11.261 77 2HD ARG 10 HD1 ARG 10 15.596 -4.611 10.067 78 HE ARG 10 HE ARG 10 17.295 -6.450 10.219 79 1HH1 ARG 10 HH21 ARG 10 19.505 -5.079 11.608 80 2HH1 ARG 10 HH22 ARG 10 19.294 -5.563 13.257 81 1HH2 ARG 10 HH11 ARG 10 16.013 -6.616 12.804 82 2HH2 ARG 10 HH12 ARG 10 17.309 -6.432 13.938 83 H LYS 11 HN LYS 11 17.234 -5.426 5.616 84 HA LYS 11 HA LYS 11 14.723 -5.558 4.274 85 1HB LYS 11 HB2 LYS 11 15.415 -7.962 3.933 86 2HB LYS 11 HB1 LYS 11 16.670 -6.793 3.527 87 1HG LYS 11 HG2 LYS 11 18.063 -7.732 5.023 88 2HG LYS 11 HG1 LYS 11 16.898 -7.452 6.315 89 1HD LYS 11 HD2 LYS 11 15.694 -9.545 5.566 90 2HD LYS 11 HD1 LYS 11 17.045 -9.854 4.475 91 1HE LYS 11 HE2 LYS 11 17.780 -11.046 6.333 92 2HE LYS 11 HE1 LYS 11 18.451 -9.453 6.736 93 1HZ LYS 11 HZ1 LYS 11 17.222 -9.974 8.615 94 2HZ LYS 11 HZ2 LYS 11 15.980 -10.726 7.734 95 3HZ LYS 11 HZ3 LYS 11 16.122 -9.032 7.730 96 HA PRO 12 HA PRO 12 12.303 -6.773 7.841 97 1HB PRO 12 HB2 PRO 12 9.879 -6.629 6.583 98 2HB PRO 12 HB1 PRO 12 10.758 -5.197 7.149 99 1HG PRO 12 HG2 PRO 12 10.475 -6.280 4.407 100 2HG PRO 12 HG1 PRO 12 10.605 -4.603 4.955 101 1HD PRO 12 HD2 PRO 12 12.664 -6.083 3.840 102 2HD PRO 12 HD1 PRO 12 12.867 -4.619 4.823 103 H SER 13 HN SER 13 9.973 -8.316 7.539 104 HA SER 13 HA SER 13 11.106 -10.913 6.644 105 1HB SER 13 HB2 SER 13 9.081 -9.929 8.594 106 2HB SER 13 HB1 SER 13 8.784 -11.516 7.891 107 HG SER 13 HG SER 13 10.851 -10.631 9.554 108 H ARG 14 HN ARG 14 10.605 -9.703 4.381 109 HA ARG 14 HA ARG 14 9.451 -9.924 2.343 110 1HB ARG 14 HB2 ARG 14 9.181 -12.263 3.403 111 2HB ARG 14 HB1 ARG 14 7.552 -11.745 3.826 112 1HG ARG 14 HG2 ARG 14 7.222 -12.771 1.746 113 2HG ARG 14 HG1 ARG 14 7.376 -11.071 1.307 114 1HD ARG 14 HD2 ARG 14 9.778 -11.418 0.790 115 2HD ARG 14 HD1 ARG 14 9.609 -13.135 1.209 116 HE ARG 14 HE ARG 14 7.648 -12.190 -0.762 117 1HH1 ARG 14 HH21 ARG 14 8.529 -15.009 -0.683 118 2HH1 ARG 14 HH22 ARG 14 9.634 -15.109 -2.012 119 1HH2 ARG 14 HH11 ARG 14 10.045 -11.665 -2.265 120 2HH2 ARG 14 HH12 ARG 14 10.497 -13.207 -2.912 121 HA PRO 15 HA PRO 15 6.282 -6.870 2.964 122 1HB PRO 15 HB2 PRO 15 5.625 -6.496 0.338 123 2HB PRO 15 HB1 PRO 15 7.109 -5.844 1.062 124 1HG PRO 15 HG2 PRO 15 6.736 -8.239 -0.656 125 2HG PRO 15 HG1 PRO 15 8.068 -7.075 -0.613 126 1HD PRO 15 HD2 PRO 15 8.165 -9.567 0.525 127 2HD PRO 15 HD1 PRO 15 9.154 -8.188 1.051 128 H ILE 16 HN ILE 16 3.931 -6.573 2.263 129 HA ILE 16 HA ILE 16 2.366 -8.892 2.830 130 HB ILE 16 HB ILE 16 1.781 -6.186 1.589 131 1HG1 ILE 16 HG12 ILE 16 1.131 -7.341 4.321 132 2HG1 ILE 16 HG11 ILE 16 2.535 -6.329 3.983 133 1HG2 ILE 16 HG21 ILE 16 -0.619 -6.667 2.066 134 2HG2 ILE 16 HG22 ILE 16 -0.185 -8.329 2.461 135 3HG2 ILE 16 HG23 ILE 16 0.038 -7.726 0.819 136 1HD1 ILE 16 HD11 ILE 16 0.796 -4.893 4.852 137 2HD1 ILE 16 HD12 ILE 16 -0.384 -5.552 3.719 138 3HD1 ILE 16 HD13 ILE 16 0.948 -4.560 3.127 139 H PHE 17 HN PHE 17 0.838 -9.997 1.367 140 HA PHE 17 HA PHE 17 2.002 -11.000 -1.037 141 1HB PHE 17 HB2 PHE 17 -0.660 -11.077 0.337 142 2HB PHE 17 HB1 PHE 17 -0.564 -11.673 -1.317 143 HD1 PHE 17 HD1 PHE 17 1.154 -13.462 -1.885 144 HD2 PHE 17 HD2 PHE 17 0.177 -12.364 2.152 145 HE1 PHE 17 HE1 PHE 17 2.143 -15.583 -1.069 146 HE2 PHE 17 HE2 PHE 17 1.167 -14.487 2.968 147 HZ PHE 17 HZ PHE 17 2.150 -16.096 1.358 148 H ILE 18 HN ILE 18 0.553 -10.953 -3.147 149 HA ILE 18 HA ILE 18 0.835 -8.550 -4.512 150 HB ILE 18 HB ILE 18 -1.185 -10.793 -4.779 151 1HG1 ILE 18 HG12 ILE 18 0.933 -10.414 -6.782 152 2HG1 ILE 18 HG11 ILE 18 1.551 -10.720 -5.162 153 1HG2 ILE 18 HG21 ILE 18 -2.149 -8.919 -5.954 154 2HG2 ILE 18 HG22 ILE 18 -1.405 -9.964 -7.164 155 3HG2 ILE 18 HG23 ILE 18 -0.589 -8.486 -6.654 156 1HD1 ILE 18 HD11 ILE 18 0.026 -12.703 -5.010 157 2HD1 ILE 18 HD12 ILE 18 1.235 -12.854 -6.285 158 3HD1 ILE 18 HD13 ILE 18 -0.429 -12.432 -6.692 159 H ARG 19 HN ARG 19 -0.293 -6.649 -4.666 160 HA ARG 19 HA ARG 19 -2.251 -5.946 -2.672 161 1HB ARG 19 HB2 ARG 19 -0.764 -4.278 -3.463 162 2HB ARG 19 HB1 ARG 19 -1.098 -4.662 -5.148 163 1HG ARG 19 HG2 ARG 19 -2.271 -2.633 -4.697 164 2HG ARG 19 HG1 ARG 19 -3.497 -3.897 -4.715 165 1HD ARG 19 HD2 ARG 19 -4.042 -3.487 -2.549 166 2HD ARG 19 HD1 ARG 19 -2.340 -3.566 -2.048 167 HE ARG 19 HE ARG 19 -3.689 -1.124 -3.124 168 1HH1 ARG 19 HH11 ARG 19 -0.580 -1.932 -3.286 169 2HH1 ARG 19 HH12 ARG 19 0.027 -0.831 -2.096 170 1HH2 ARG 19 HH21 ARG 19 -3.118 -0.011 -0.867 171 2HH2 ARG 19 HH22 ARG 19 -1.413 0.254 -0.719 172 HA PRO 20 HA PRO 20 -5.694 -7.576 -4.995 173 1HB PRO 20 HB2 PRO 20 -7.585 -6.942 -3.113 174 2HB PRO 20 HB1 PRO 20 -6.527 -8.363 -2.993 175 1HG PRO 20 HG2 PRO 20 -6.335 -5.740 -1.614 176 2HG PRO 20 HG1 PRO 20 -5.948 -7.360 -1.021 177 1HD PRO 20 HD2 PRO 20 -4.068 -5.545 -1.856 178 2HD PRO 20 HD1 PRO 20 -3.830 -7.299 -1.866 179 H ILE 21 HN ILE 21 -7.676 -6.630 -5.909 180 HA ILE 21 HA ILE 21 -7.327 -3.878 -6.760 181 HB ILE 21 HB ILE 21 -9.578 -5.892 -7.114 182 1HG1 ILE 21 HG12 ILE 21 -7.905 -5.387 -9.424 183 2HG1 ILE 21 HG11 ILE 21 -6.919 -5.905 -8.060 184 1HG2 ILE 21 HG21 ILE 21 -10.039 -4.508 -9.185 185 2HG2 ILE 21 HG22 ILE 21 -8.936 -3.294 -8.537 186 3HG2 ILE 21 HG23 ILE 21 -10.414 -3.699 -7.664 187 1HD1 ILE 21 HD11 ILE 21 -7.565 -7.938 -9.062 188 2HD1 ILE 21 HD12 ILE 21 -9.197 -7.360 -9.394 189 3HD1 ILE 21 HD13 ILE 21 -8.719 -7.753 -7.742 190 H GLY 22 HN GLY 22 -9.061 -2.247 -6.551 191 1HA GLY 22 HA2 GLY 22 -11.102 -1.472 -5.384 192 2HA GLY 22 HA1 GLY 22 -10.619 -2.472 -4.015 193 H CYS 23 HN CYS 23 -8.219 -1.901 -3.321 194 HA CYS 23 HA CYS 23 -8.233 0.783 -2.287 195 1HB CYS 23 HB2 CYS 23 -6.325 -1.520 -2.450 196 2HB CYS 23 HB1 CYS 23 -5.728 0.022 -1.860 197 H ASP 24 HN ASP 24 -6.775 -0.650 -5.160 198 HA ASP 24 HA ASP 24 -5.144 1.718 -5.751 199 1HB ASP 24 HB2 ASP 24 -5.583 -1.029 -6.740 200 2HB ASP 24 HB1 ASP 24 -5.196 0.136 -8.004 201 H VAL 25 HN VAL 25 -8.350 1.542 -5.734 202 HA VAL 25 HA VAL 25 -8.672 3.261 -8.128 203 HB VAL 25 HB VAL 25 -10.567 1.007 -7.380 204 1HG1 VAL 25 HG11 VAL 25 -10.422 3.083 -9.513 205 2HG1 VAL 25 HG12 VAL 25 -11.832 2.375 -8.725 206 3HG1 VAL 25 HG13 VAL 25 -10.992 1.485 -9.994 207 1HG2 VAL 25 HG21 VAL 25 -9.594 -0.087 -9.489 208 2HG2 VAL 25 HG22 VAL 25 -8.565 -0.114 -8.057 209 3HG2 VAL 25 HG23 VAL 25 -8.260 1.056 -9.341 210 H CYS 26 HN CYS 26 -8.477 4.562 -5.923 211 HA CYS 26 HA CYS 26 -10.436 4.712 -3.944 212 1HB CYS 26 HB2 CYS 26 -8.813 6.802 -5.405 213 2HB CYS 26 HB1 CYS 26 -9.825 7.222 -4.028 214 H TYR 27 HN TYR 27 -10.740 5.655 -7.313 215 HA TYR 27 HA TYR 27 -13.381 6.926 -6.746 216 1HB TYR 27 HB2 TYR 27 -11.671 6.916 -9.251 217 2HB TYR 27 HB1 TYR 27 -13.088 7.921 -8.963 218 HD1 TYR 27 HD1 TYR 27 -9.538 7.699 -8.650 219 HD2 TYR 27 HD2 TYR 27 -13.022 9.481 -6.877 220 HE1 TYR 27 HE1 TYR 27 -8.110 9.406 -7.557 221 HE2 TYR 27 HE2 TYR 27 -11.594 11.187 -5.785 222 HH TYR 27 HH TYR 27 -8.931 11.155 -5.055 223 H GLY 28 HN GLY 28 -15.197 5.811 -7.287 224 1HA GLY 28 HA2 GLY 28 -16.423 4.508 -9.004 225 2HA GLY 28 HA1 GLY 28 -14.958 3.559 -9.238 226 H ILE 29 HN ILE 29 -14.436 3.422 -6.299 227 HA ILE 29 HA ILE 29 -16.168 1.110 -5.758 228 HB ILE 29 HB ILE 29 -14.631 0.743 -3.896 229 1HG1 ILE 29 HG12 ILE 29 -13.424 3.443 -4.584 230 2HG1 ILE 29 HG11 ILE 29 -14.487 3.152 -3.207 231 1HG2 ILE 29 HG21 ILE 29 -13.077 1.764 -6.287 232 2HG2 ILE 29 HG22 ILE 29 -13.891 0.201 -6.225 233 3HG2 ILE 29 HG23 ILE 29 -12.554 0.543 -5.127 234 1HD1 ILE 29 HD11 ILE 29 -12.251 1.248 -3.395 235 2HD1 ILE 29 HD12 ILE 29 -12.847 2.152 -2.004 236 3HD1 ILE 29 HD13 ILE 29 -11.745 2.919 -3.146 237 HA PRO 30 HA PRO 30 -18.921 3.103 -3.008 238 1HB PRO 30 HB2 PRO 30 -19.349 1.138 -1.144 239 2HB PRO 30 HB1 PRO 30 -20.034 1.109 -2.780 240 1HG PRO 30 HG2 PRO 30 -17.752 -0.395 -1.661 241 2HG PRO 30 HG1 PRO 30 -18.895 -0.853 -2.925 242 1HD PRO 30 HD2 PRO 30 -16.297 0.017 -3.359 243 2HD PRO 30 HD1 PRO 30 -17.589 0.009 -4.572 244 H SER 31 HN SER 31 -19.071 4.131 -0.933 245 HA SER 31 HA SER 31 -16.648 5.032 0.229 246 1HB SER 31 HB2 SER 31 -19.079 5.938 0.293 247 2HB SER 31 HB1 SER 31 -19.284 4.886 1.690 248 HG SER 31 HG SER 31 -17.601 7.116 1.338 249 H SER 32 HN SER 32 -18.824 2.392 1.278 250 HA SER 32 HA SER 32 -17.544 1.826 3.771 251 1HB SER 32 HB2 SER 32 -19.768 0.984 2.662 252 2HB SER 32 HB1 SER 32 -18.749 -0.277 1.973 253 HG SER 32 HG SER 32 -19.574 0.144 4.580 254 H THR 33 HN THR 33 -16.987 0.452 0.510 255 HA THR 33 HA THR 33 -14.815 -1.280 1.310 256 HB THR 33 HB THR 33 -15.538 0.020 -1.338 257 HG1 THR 33 HG1 THR 33 -16.075 -2.595 -0.376 258 1HG2 THR 33 HG21 THR 33 -13.470 -1.983 -0.556 259 2HG2 THR 33 HG22 THR 33 -13.426 -0.757 -1.823 260 3HG2 THR 33 HG23 THR 33 -14.331 -2.251 -2.073 261 H ALA 34 HN ALA 34 -14.992 2.039 0.037 262 HA ALA 34 HA ALA 34 -12.181 2.507 -0.215 263 1HB ALA 34 HB1 ALA 34 -13.272 4.960 0.322 264 2HB ALA 34 HB2 ALA 34 -14.714 4.045 -0.118 265 3HB ALA 34 HB3 ALA 34 -13.370 4.171 -1.252 266 H ARG 35 HN ARG 35 -14.435 2.972 2.521 267 HA ARG 35 HA ARG 35 -12.587 4.259 4.301 268 1HB ARG 35 HB2 ARG 35 -15.082 2.579 4.647 269 2HB ARG 35 HB1 ARG 35 -14.197 3.190 6.043 270 1HG ARG 35 HG2 ARG 35 -14.562 5.444 5.449 271 2HG ARG 35 HG1 ARG 35 -15.008 5.028 3.795 272 1HD ARG 35 HD2 ARG 35 -16.967 3.696 4.940 273 2HD ARG 35 HD1 ARG 35 -16.644 4.779 6.309 274 HE ARG 35 HE ARG 35 -17.598 5.615 3.633 275 1HH1 ARG 35 HH11 ARG 35 -18.627 6.434 6.432 276 2HH1 ARG 35 HH12 ARG 35 -18.102 8.083 6.490 277 1HH2 ARG 35 HH21 ARG 35 -15.908 7.749 3.812 278 2HH2 ARG 35 HH22 ARG 35 -16.555 8.832 4.998 279 H LEU 36 HN LEU 36 -13.353 0.807 3.774 280 HA LEU 36 HA LEU 36 -11.628 -0.264 5.807 281 1HB LEU 36 HB2 LEU 36 -13.460 -1.199 3.970 282 2HB LEU 36 HB1 LEU 36 -11.946 -1.795 3.295 283 HG LEU 36 HG LEU 36 -12.927 -3.446 4.839 284 1HD1 LEU 36 HD11 LEU 36 -10.513 -2.190 6.162 285 2HD1 LEU 36 HD12 LEU 36 -10.409 -3.083 4.645 286 3HD1 LEU 36 HD13 LEU 36 -10.954 -3.897 6.111 287 1HD2 LEU 36 HD21 LEU 36 -13.285 -2.969 7.164 288 2HD2 LEU 36 HD22 LEU 36 -14.064 -1.667 6.265 289 3HD2 LEU 36 HD23 LEU 36 -12.497 -1.397 7.029 290 H CYS 37 HN CYS 37 -11.096 0.569 2.392 291 HA CYS 37 HA CYS 37 -8.427 -0.418 2.092 292 1HB CYS 37 HB2 CYS 37 -10.320 1.429 0.773 293 2HB CYS 37 HB1 CYS 37 -8.628 1.800 0.473 294 H CYS 38 HN CYS 38 -9.695 2.641 3.387 295 HA CYS 38 HA CYS 38 -7.098 3.946 3.590 296 1HB CYS 38 HB2 CYS 38 -9.166 5.200 3.356 297 2HB CYS 38 HB1 CYS 38 -9.842 4.437 4.791 298 H PHE 39 HN PHE 39 -9.226 2.152 5.800 299 HA PHE 39 HA PHE 39 -7.741 2.615 8.213 300 1HB PHE 39 HB2 PHE 39 -9.960 1.895 8.446 301 2HB PHE 39 HB1 PHE 39 -9.789 0.651 7.212 302 HD1 PHE 39 HD1 PHE 39 -8.367 1.587 10.563 303 HD2 PHE 39 HD2 PHE 39 -9.543 -1.562 7.889 304 HE1 PHE 39 HE1 PHE 39 -7.857 -0.092 12.315 305 HE2 PHE 39 HE2 PHE 39 -9.033 -3.240 9.641 306 HZ PHE 39 HZ PHE 39 -8.188 -2.505 11.853 307 H ARG 40 HN ARG 40 -7.538 0.030 5.760 308 HA ARG 40 HA ARG 40 -5.356 -1.260 7.311 309 1HB ARG 40 HB2 ARG 40 -7.272 -2.011 5.152 310 2HB ARG 40 HB1 ARG 40 -5.741 -2.878 5.211 311 1HG ARG 40 HG2 ARG 40 -7.683 -2.586 7.521 312 2HG ARG 40 HG1 ARG 40 -7.471 -4.036 6.544 313 1HD ARG 40 HD2 ARG 40 -5.219 -2.752 8.135 314 2HD ARG 40 HD1 ARG 40 -6.202 -4.103 8.727 315 HE ARG 40 HE ARG 40 -5.063 -4.534 6.054 316 1HH1 ARG 40 HH21 ARG 40 -5.667 -6.826 7.776 317 2HH1 ARG 40 HH22 ARG 40 -4.120 -7.265 8.420 318 1HH2 ARG 40 HH11 ARG 40 -2.629 -4.231 7.610 319 2HH2 ARG 40 HH12 ARG 40 -2.393 -5.792 8.324 320 H TYR 41 HN TYR 41 -5.883 -0.345 3.868 321 HA TYR 41 HA TYR 41 -3.012 -0.472 3.332 322 1HB TYR 41 HB2 TYR 41 -5.444 0.378 1.754 323 2HB TYR 41 HB1 TYR 41 -3.819 0.351 1.079 324 HD1 TYR 41 HD1 TYR 41 -2.745 -1.704 0.471 325 HD2 TYR 41 HD2 TYR 41 -6.508 -1.749 2.540 326 HE1 TYR 41 HE1 TYR 41 -2.980 -4.127 -0.010 327 HE2 TYR 41 HE2 TYR 41 -6.739 -4.170 2.065 328 HH TYR 41 HH TYR 41 -4.315 -6.112 1.206 329 H GLY 42 HN GLY 42 -5.418 2.094 3.772 330 1HA GLY 42 HA2 GLY 42 -4.841 4.263 4.667 331 2HA GLY 42 HA1 GLY 42 -3.191 4.032 4.100 332 H ASP 43 HN ASP 43 -5.515 3.105 1.753 333 HA ASP 43 HA ASP 43 -4.986 5.629 0.249 334 1HB ASP 43 HB2 ASP 43 -6.158 3.173 -1.008 335 2HB ASP 43 HB1 ASP 43 -5.034 4.338 -1.687 336 H CYS 44 HN CYS 44 -6.758 6.590 -0.931 337 HA CYS 44 HA CYS 44 -8.979 7.350 -1.193 338 1HB CYS 44 HB2 CYS 44 -9.807 4.669 -0.078 339 2HB CYS 44 HB1 CYS 44 -10.646 5.647 -1.270 340 H CYS 45 HN CYS 45 -7.619 7.983 1.231 341 HA CYS 45 HA CYS 45 -9.422 7.505 3.502 342 1HB CYS 45 HB2 CYS 45 -6.855 9.010 2.987 343 2HB CYS 45 HB1 CYS 45 -7.691 9.137 4.531 344 H HIS 46 HN HIS 46 -8.226 10.435 1.837 345 HA HIS 46 HA HIS 46 -10.542 11.968 2.891 346 1HB HIS 46 HB2 HIS 46 -9.185 13.906 1.951 347 2HB HIS 46 HB1 HIS 46 -8.382 12.979 3.214 348 HD1 HIS 46 HD1 HIS 46 -6.188 11.869 2.620 349 HD2 HIS 46 HD2 HIS 46 -8.209 13.259 -0.752 350 HE1 HIS 46 HE1 HIS 46 -4.604 11.581 0.665 351 H LEU 47 HN LEU 47 -11.547 10.238 1.075 352 HA LEU 47 HA LEU 47 -11.521 11.343 -1.649 353 1HB LEU 47 HB2 LEU 47 -11.776 8.879 -0.765 354 2HB LEU 47 HB1 LEU 47 -13.476 9.316 -0.584 355 HG LEU 47 HG LEU 47 -13.158 10.235 -3.054 356 1HD1 LEU 47 HD11 LEU 47 -10.898 9.859 -3.503 357 2HD1 LEU 47 HD12 LEU 47 -11.642 8.418 -4.195 358 3HD1 LEU 47 HD13 LEU 47 -10.871 8.337 -2.611 359 1HD2 LEU 47 HD21 LEU 47 -14.759 8.504 -2.489 360 2HD2 LEU 47 HD22 LEU 47 -13.470 7.318 -2.280 361 3HD2 LEU 47 HD23 LEU 47 -13.833 7.953 -3.885 Start of MODEL 11 1 1H HIS 1 HT1 HIS 1 -31.934 -5.811 -12.626 2 2H HIS 1 HT2 HIS 1 -30.425 -6.512 -12.965 3 3H HIS 1 HT3 HIS 1 -30.514 -5.067 -12.074 4 HA HIS 1 HA HIS 1 -31.579 -7.697 -11.160 5 1HB HIS 1 HB2 HIS 1 -28.969 -6.949 -11.465 6 2HB HIS 1 HB1 HIS 1 -29.293 -6.343 -9.841 7 HD1 HIS 1 HD1 HIS 1 -28.858 -9.482 -11.790 8 HD2 HIS 1 HD2 HIS 1 -30.043 -8.396 -7.943 9 HE1 HIS 1 HE1 HIS 1 -28.836 -11.603 -10.407 10 H SER 2 HN SER 2 -32.153 -7.581 -8.827 11 HA SER 2 HA SER 2 -33.198 -4.877 -8.083 12 1HB SER 2 HB2 SER 2 -34.283 -7.502 -8.185 13 2HB SER 2 HB1 SER 2 -34.186 -7.064 -6.481 14 HG SER 2 HG SER 2 -36.090 -6.239 -7.202 15 H SER 3 HN SER 3 -31.808 -3.860 -6.665 16 HA SER 3 HA SER 3 -30.730 -5.465 -4.377 17 1HB SER 3 HB2 SER 3 -29.085 -4.987 -6.262 18 2HB SER 3 HB1 SER 3 -29.255 -3.277 -5.871 19 HG SER 3 HG SER 3 -28.177 -3.577 -4.054 20 H GLY 4 HN GLY 4 -31.787 -4.613 -2.621 21 1HA GLY 4 HA2 GLY 4 -32.912 -1.985 -2.496 22 2HA GLY 4 HA1 GLY 4 -32.643 -3.039 -1.108 23 H TYR 5 HN TYR 5 -29.897 -3.322 -1.097 24 HA TYR 5 HA TYR 5 -29.039 -0.631 -0.230 25 1HB TYR 5 HB2 TYR 5 -28.690 -3.191 0.700 26 2HB TYR 5 HB1 TYR 5 -27.162 -2.916 -0.138 27 HD1 TYR 5 HD1 TYR 5 -25.931 -0.680 0.357 28 HD2 TYR 5 HD2 TYR 5 -29.026 -2.309 2.852 29 HE1 TYR 5 HE1 TYR 5 -25.145 0.719 2.246 30 HE2 TYR 5 HE2 TYR 5 -28.239 -0.910 4.742 31 HH TYR 5 HH TYR 5 -26.921 1.349 4.935 32 H THR 6 HN THR 6 -27.507 0.599 -1.307 33 HA THR 6 HA THR 6 -26.611 -0.363 -3.975 34 HB THR 6 HB THR 6 -26.343 2.397 -2.753 35 HG1 THR 6 HG1 THR 6 -28.555 1.210 -4.076 36 1HG2 THR 6 HG21 THR 6 -26.665 2.976 -5.237 37 2HG2 THR 6 HG22 THR 6 -26.379 1.264 -5.549 38 3HG2 THR 6 HG23 THR 6 -25.128 2.241 -4.780 39 H ARG 7 HN ARG 7 -24.332 0.073 -4.592 40 HA ARG 7 HA ARG 7 -22.438 0.209 -2.286 41 1HB ARG 7 HB2 ARG 7 -23.149 -2.114 -3.458 42 2HB ARG 7 HB1 ARG 7 -21.853 -1.634 -4.553 43 1HG ARG 7 HG2 ARG 7 -20.733 -2.875 -2.887 44 2HG ARG 7 HG1 ARG 7 -20.475 -1.200 -2.398 45 1HD ARG 7 HD2 ARG 7 -22.938 -1.936 -1.231 46 2HD ARG 7 HD1 ARG 7 -21.846 -3.308 -0.955 47 HE ARG 7 HE ARG 7 -20.190 -1.625 -0.053 48 1HH1 ARG 7 HH11 ARG 7 -22.553 -1.855 1.807 49 2HH1 ARG 7 HH12 ARG 7 -22.942 -0.193 2.096 50 1HH2 ARG 7 HH21 ARG 7 -21.102 0.974 -0.615 51 2HH2 ARG 7 HH22 ARG 7 -22.117 1.418 0.715 52 HA PRO 8 HA PRO 8 -21.204 3.007 -5.779 53 1HB PRO 8 HB2 PRO 8 -20.824 5.234 -4.232 54 2HB PRO 8 HB1 PRO 8 -22.396 4.800 -4.933 55 1HG PRO 8 HG2 PRO 8 -21.397 4.439 -2.158 56 2HG PRO 8 HG1 PRO 8 -23.019 4.856 -2.731 57 1HD PRO 8 HD2 PRO 8 -22.280 2.353 -1.888 58 2HD PRO 8 HD1 PRO 8 -23.615 2.670 -3.015 59 H LEU 9 HN LEU 9 -19.040 3.236 -6.319 60 HA LEU 9 HA LEU 9 -16.701 3.058 -6.136 61 1HB LEU 9 HB2 LEU 9 -17.350 5.124 -4.745 62 2HB LEU 9 HB1 LEU 9 -17.156 4.095 -3.326 63 HG LEU 9 HG LEU 9 -14.825 3.566 -4.105 64 1HD1 LEU 9 HD11 LEU 9 -15.568 5.640 -6.181 65 2HD1 LEU 9 HD12 LEU 9 -14.960 4.007 -6.454 66 3HD1 LEU 9 HD13 LEU 9 -13.894 5.246 -5.790 67 1HD2 LEU 9 HD21 LEU 9 -15.143 5.273 -2.406 68 2HD2 LEU 9 HD22 LEU 9 -15.553 6.473 -3.632 69 3HD2 LEU 9 HD23 LEU 9 -13.910 5.838 -3.534 70 H ARG 10 HN ARG 10 -17.499 0.636 -5.999 71 HA ARG 10 HA ARG 10 -17.357 -0.818 -3.534 72 1HB ARG 10 HB2 ARG 10 -18.188 -1.380 -5.986 73 2HB ARG 10 HB1 ARG 10 -16.540 -1.977 -6.183 74 1HG ARG 10 HG2 ARG 10 -16.940 -3.273 -3.988 75 2HG ARG 10 HG1 ARG 10 -18.650 -2.918 -4.241 76 1HD ARG 10 HD2 ARG 10 -18.809 -4.567 -5.788 77 2HD ARG 10 HD1 ARG 10 -17.448 -3.889 -6.703 78 HE ARG 10 HE ARG 10 -15.920 -5.183 -5.303 79 1HH1 ARG 10 HH11 ARG 10 -17.681 -5.299 -2.844 80 2HH1 ARG 10 HH12 ARG 10 -18.160 -6.964 -2.835 81 1HH2 ARG 10 HH21 ARG 10 -17.222 -7.520 -6.137 82 2HH2 ARG 10 HH22 ARG 10 -17.897 -8.226 -4.708 83 H LYS 11 HN LYS 11 -15.568 -1.027 -2.267 84 HA LYS 11 HA LYS 11 -13.330 -1.272 -1.590 85 1HB LYS 11 HB2 LYS 11 -13.809 -3.201 -3.285 86 2HB LYS 11 HB1 LYS 11 -12.794 -2.269 -4.384 87 1HG LYS 11 HG2 LYS 11 -11.264 -3.718 -3.319 88 2HG LYS 11 HG1 LYS 11 -11.090 -2.205 -2.428 89 1HD LYS 11 HD2 LYS 11 -12.996 -3.225 -0.912 90 2HD LYS 11 HD1 LYS 11 -12.432 -4.754 -1.585 91 1HE LYS 11 HE2 LYS 11 -10.317 -2.895 -0.599 92 2HE LYS 11 HE1 LYS 11 -11.325 -3.683 0.631 93 1HZ LYS 11 HZ1 LYS 11 -10.919 -5.813 -0.464 94 2HZ LYS 11 HZ2 LYS 11 -9.459 -5.098 0.030 95 3HZ LYS 11 HZ3 LYS 11 -9.918 -5.053 -1.605 96 HA PRO 12 HA PRO 12 -12.130 2.584 -3.828 97 1HB PRO 12 HB2 PRO 12 -11.837 4.125 -1.585 98 2HB PRO 12 HB1 PRO 12 -13.389 3.912 -2.416 99 1HG PRO 12 HG2 PRO 12 -12.392 2.660 0.078 100 2HG PRO 12 HG1 PRO 12 -14.033 3.149 -0.367 101 1HD PRO 12 HD2 PRO 12 -13.086 0.557 -0.419 102 2HD PRO 12 HD1 PRO 12 -14.494 1.146 -1.329 103 H SER 13 HN SER 13 -10.156 4.149 -2.566 104 HA SER 13 HA SER 13 -7.889 2.233 -2.476 105 1HB SER 13 HB2 SER 13 -8.273 4.481 -3.888 106 2HB SER 13 HB1 SER 13 -7.551 5.198 -2.451 107 HG SER 13 HG SER 13 -5.851 4.651 -3.704 108 H ARG 14 HN ARG 14 -9.614 2.483 -0.126 109 HA ARG 14 HA ARG 14 -9.381 2.584 2.209 110 1HB ARG 14 HB2 ARG 14 -7.236 1.483 1.672 111 2HB ARG 14 HB1 ARG 14 -6.480 3.059 1.447 112 1HG ARG 14 HG2 ARG 14 -7.325 3.550 3.866 113 2HG ARG 14 HG1 ARG 14 -7.475 1.798 3.994 114 1HD ARG 14 HD2 ARG 14 -4.906 2.904 2.910 115 2HD ARG 14 HD1 ARG 14 -5.197 3.004 4.658 116 HE ARG 14 HE ARG 14 -5.749 0.492 4.485 117 1HH1 ARG 14 HH21 ARG 14 -5.091 0.823 1.419 118 2HH1 ARG 14 HH22 ARG 14 -3.566 0.003 1.368 119 1HH2 ARG 14 HH11 ARG 14 -3.159 -0.003 4.821 120 2HH2 ARG 14 HH12 ARG 14 -2.467 -0.467 3.302 121 HA PRO 15 HA PRO 15 -9.677 6.930 3.033 122 1HB PRO 15 HB2 PRO 15 -10.023 6.783 5.741 123 2HB PRO 15 HB1 PRO 15 -11.305 6.372 4.584 124 1HG PRO 15 HG2 PRO 15 -9.512 4.583 6.139 125 2HG PRO 15 HG1 PRO 15 -11.218 4.381 5.712 126 1HD PRO 15 HD2 PRO 15 -9.156 3.114 4.430 127 2HD PRO 15 HD1 PRO 15 -10.732 3.457 3.685 128 H ILE 16 HN ILE 16 -8.622 8.514 4.686 129 HA ILE 16 HA ILE 16 -5.820 8.546 4.421 130 HB ILE 16 HB ILE 16 -5.911 10.267 6.217 131 1HG1 ILE 16 HG12 ILE 16 -8.725 9.187 6.567 132 2HG1 ILE 16 HG11 ILE 16 -7.442 9.218 7.773 133 1HG2 ILE 16 HG21 ILE 16 -8.402 10.608 4.564 134 2HG2 ILE 16 HG22 ILE 16 -6.823 10.553 3.780 135 3HG2 ILE 16 HG23 ILE 16 -7.170 11.801 4.977 136 1HD1 ILE 16 HD11 ILE 16 -8.987 11.551 6.636 137 2HD1 ILE 16 HD12 ILE 16 -7.453 11.774 7.477 138 3HD1 ILE 16 HD13 ILE 16 -8.828 11.066 8.324 139 H PHE 17 HN PHE 17 -4.144 7.614 5.537 140 HA PHE 17 HA PHE 17 -4.544 6.465 8.226 141 1HB PHE 17 HB2 PHE 17 -5.373 4.834 6.451 142 2HB PHE 17 HB1 PHE 17 -3.709 4.737 5.878 143 HD1 PHE 17 HD1 PHE 17 -5.750 4.399 9.005 144 HD2 PHE 17 HD2 PHE 17 -2.234 3.196 6.848 145 HE1 PHE 17 HE1 PHE 17 -5.237 2.734 10.769 146 HE2 PHE 17 HE2 PHE 17 -1.722 1.531 8.613 147 HZ PHE 17 HZ PHE 17 -3.224 1.299 10.574 148 H ILE 18 HN ILE 18 -2.440 5.594 9.081 149 HA ILE 18 HA ILE 18 -0.218 7.355 8.522 150 HB ILE 18 HB ILE 18 0.930 5.914 10.176 151 1HG1 ILE 18 HG12 ILE 18 -1.526 4.181 10.326 152 2HG1 ILE 18 HG11 ILE 18 -0.264 3.803 9.154 153 1HG2 ILE 18 HG21 ILE 18 -1.014 7.593 10.732 154 2HG2 ILE 18 HG22 ILE 18 -0.400 6.521 11.991 155 3HG2 ILE 18 HG23 ILE 18 -1.902 6.128 11.153 156 1HD1 ILE 18 HD11 ILE 18 1.389 3.572 10.881 157 2HD1 ILE 18 HD12 ILE 18 -0.020 2.649 11.404 158 3HD1 ILE 18 HD13 ILE 18 0.299 4.239 12.097 159 H ARG 19 HN ARG 19 2.046 5.917 8.390 160 HA ARG 19 HA ARG 19 2.529 5.301 5.730 161 1HB ARG 19 HB2 ARG 19 4.319 5.559 7.270 162 2HB ARG 19 HB1 ARG 19 3.705 4.287 8.322 163 1HG ARG 19 HG2 ARG 19 5.528 3.302 7.161 164 2HG ARG 19 HG1 ARG 19 4.090 2.688 6.352 165 1HD ARG 19 HD2 ARG 19 4.820 3.565 4.396 166 2HD ARG 19 HD1 ARG 19 4.826 5.183 5.121 167 HE ARG 19 HE ARG 19 7.173 3.625 4.637 168 1HH1 ARG 19 HH21 ARG 19 6.327 6.512 5.918 169 2HH1 ARG 19 HH22 ARG 19 7.499 6.543 7.192 170 1HH2 ARG 19 HH11 ARG 19 8.414 3.213 6.786 171 2HH2 ARG 19 HH12 ARG 19 8.685 4.669 7.685 172 HA PRO 20 HA PRO 20 0.091 1.600 5.229 173 1HB PRO 20 HB2 PRO 20 0.740 1.213 2.593 174 2HB PRO 20 HB1 PRO 20 -0.469 2.394 3.140 175 1HG PRO 20 HG2 PRO 20 2.351 2.821 2.306 176 2HG PRO 20 HG1 PRO 20 0.926 3.830 2.028 177 1HD PRO 20 HD2 PRO 20 2.806 4.360 3.938 178 2HD PRO 20 HD1 PRO 20 1.117 4.880 4.048 179 H ILE 21 HN ILE 21 0.575 -0.660 4.404 180 HA ILE 21 HA ILE 21 3.098 -1.594 5.505 181 HB ILE 21 HB ILE 21 0.533 -2.691 4.449 182 1HG1 ILE 21 HG12 ILE 21 0.971 -2.124 6.846 183 2HG1 ILE 21 HG11 ILE 21 0.530 -3.808 6.594 184 1HG2 ILE 21 HG21 ILE 21 1.382 -5.011 4.535 185 2HG2 ILE 21 HG22 ILE 21 3.019 -4.402 4.772 186 3HG2 ILE 21 HG23 ILE 21 2.173 -4.089 3.257 187 1HD1 ILE 21 HD11 ILE 21 3.434 -3.193 6.476 188 2HD1 ILE 21 HD12 ILE 21 2.608 -4.584 7.177 189 3HD1 ILE 21 HD13 ILE 21 2.676 -3.060 8.062 190 H GLY 22 HN GLY 22 4.446 -3.177 4.267 191 1HA GLY 22 HA2 GLY 22 5.271 -4.012 2.113 192 2HA GLY 22 HA1 GLY 22 4.638 -2.550 1.359 193 H CYS 23 HN CYS 23 5.586 -0.478 2.480 194 HA CYS 23 HA CYS 23 8.457 -0.488 2.055 195 1HB CYS 23 HB2 CYS 23 6.287 1.404 2.815 196 2HB CYS 23 HB1 CYS 23 7.929 1.902 3.202 197 H ASP 24 HN ASP 24 6.402 -0.720 4.910 198 HA ASP 24 HA ASP 24 8.636 -0.275 6.774 199 1HB ASP 24 HB2 ASP 24 5.844 -0.105 6.806 200 2HB ASP 24 HB1 ASP 24 6.203 -1.486 7.842 201 H VAL 25 HN VAL 25 8.271 -2.725 4.754 202 HA VAL 25 HA VAL 25 9.205 -4.765 6.695 203 HB VAL 25 HB VAL 25 7.170 -5.230 4.480 204 1HG1 VAL 25 HG11 VAL 25 8.013 -7.335 4.817 205 2HG1 VAL 25 HG12 VAL 25 6.906 -7.309 6.190 206 3HG1 VAL 25 HG13 VAL 25 8.616 -6.950 6.430 207 1HG2 VAL 25 HG21 VAL 25 5.993 -3.958 6.105 208 2HG2 VAL 25 HG22 VAL 25 6.837 -4.734 7.445 209 3HG2 VAL 25 HG23 VAL 25 5.632 -5.633 6.522 210 H CYS 26 HN CYS 26 11.120 -3.608 5.487 211 HA CYS 26 HA CYS 26 11.834 -3.888 2.820 212 1HB CYS 26 HB2 CYS 26 13.436 -4.204 5.370 213 2HB CYS 26 HB1 CYS 26 14.190 -4.080 3.786 214 H TYR 27 HN TYR 27 11.562 -6.470 5.190 215 HA TYR 27 HA TYR 27 12.892 -8.385 3.332 216 1HB TYR 27 HB2 TYR 27 11.901 -8.857 6.153 217 2HB TYR 27 HB1 TYR 27 13.106 -9.786 5.269 218 HD1 TYR 27 HD1 TYR 27 12.580 -7.119 7.576 219 HD2 TYR 27 HD2 TYR 27 15.248 -8.494 4.501 220 HE1 TYR 27 HE1 TYR 27 14.363 -5.642 8.462 221 HE2 TYR 27 HE2 TYR 27 17.031 -7.016 5.389 222 HH TYR 27 HH TYR 27 17.243 -5.876 8.191 223 H GLY 28 HN GLY 28 11.622 -9.704 2.109 224 1HA GLY 28 HA2 GLY 28 9.778 -11.346 2.026 225 2HA GLY 28 HA1 GLY 28 8.829 -10.248 3.023 226 H ILE 29 HN ILE 29 9.832 -7.898 1.367 227 HA ILE 29 HA ILE 29 7.755 -8.107 -0.710 228 HB ILE 29 HB ILE 29 8.114 -5.704 -0.931 229 1HG1 ILE 29 HG12 ILE 29 10.465 -6.055 0.962 230 2HG1 ILE 29 HG11 ILE 29 10.616 -5.796 -0.777 231 1HG2 ILE 29 HG21 ILE 29 7.589 -5.014 1.334 232 2HG2 ILE 29 HG22 ILE 29 8.310 -6.484 1.990 233 3HG2 ILE 29 HG23 ILE 29 6.833 -6.578 1.031 234 1HD1 ILE 29 HD11 ILE 29 9.139 -3.699 -0.378 235 2HD1 ILE 29 HD12 ILE 29 10.830 -3.625 0.118 236 3HD1 ILE 29 HD13 ILE 29 9.568 -3.899 1.321 237 HA PRO 30 HA PRO 30 10.451 -8.756 -4.089 238 1HB PRO 30 HB2 PRO 30 9.230 -7.285 -6.053 239 2HB PRO 30 HB1 PRO 30 8.603 -8.831 -5.449 240 1HG PRO 30 HG2 PRO 30 7.700 -6.076 -4.886 241 2HG PRO 30 HG1 PRO 30 6.772 -7.575 -4.956 242 1HD PRO 30 HD2 PRO 30 7.565 -6.291 -2.629 243 2HD PRO 30 HD1 PRO 30 7.069 -7.991 -2.743 244 H SER 31 HN SER 31 12.111 -7.775 -5.382 245 HA SER 31 HA SER 31 13.460 -5.545 -4.254 246 1HB SER 31 HB2 SER 31 14.213 -7.484 -5.831 247 2HB SER 31 HB1 SER 31 13.736 -6.397 -7.132 248 HG SER 31 HG SER 31 15.907 -6.070 -6.615 249 H SER 32 HN SER 32 11.259 -5.710 -7.070 250 HA SER 32 HA SER 32 11.614 -3.048 -8.017 251 1HB SER 32 HB2 SER 32 10.369 -5.012 -9.069 252 2HB SER 32 HB1 SER 32 9.041 -4.656 -7.971 253 HG SER 32 HG SER 32 10.197 -2.768 -9.756 254 H THR 33 HN THR 33 9.288 -4.345 -5.627 255 HA THR 33 HA THR 33 8.090 -1.779 -5.013 256 HB THR 33 HB THR 33 8.319 -4.349 -3.405 257 HG1 THR 33 HG1 THR 33 6.253 -4.732 -4.348 258 1HG2 THR 33 HG21 THR 33 7.457 -1.946 -2.461 259 2HG2 THR 33 HG22 THR 33 6.819 -3.494 -1.908 260 3HG2 THR 33 HG23 THR 33 5.958 -2.576 -3.143 261 H ALA 34 HN ALA 34 10.723 -3.709 -3.587 262 HA ALA 34 HA ALA 34 11.298 -2.027 -1.353 263 1HB ALA 34 HB1 ALA 34 13.105 -3.790 -3.042 264 2HB ALA 34 HB2 ALA 34 12.117 -4.339 -1.687 265 3HB ALA 34 HB3 ALA 34 13.462 -3.234 -1.407 266 H ARG 35 HN ARG 35 12.446 -1.933 -4.738 267 HA ARG 35 HA ARG 35 14.401 0.154 -4.366 268 1HB ARG 35 HB2 ARG 35 14.166 -1.424 -6.326 269 2HB ARG 35 HB1 ARG 35 12.740 -0.514 -6.822 270 1HG ARG 35 HG2 ARG 35 14.116 1.540 -6.979 271 2HG ARG 35 HG1 ARG 35 15.542 0.611 -6.514 272 1HD ARG 35 HD2 ARG 35 15.846 0.004 -8.673 273 2HD ARG 35 HD1 ARG 35 14.241 -0.754 -8.688 274 HE ARG 35 HE ARG 35 13.287 1.404 -9.367 275 1HH1 ARG 35 HH21 ARG 35 15.374 3.228 -8.239 276 2HH1 ARG 35 HH22 ARG 35 16.228 3.735 -9.657 277 1HH2 ARG 35 HH11 ARG 35 14.970 1.176 -11.647 278 2HH2 ARG 35 HH12 ARG 35 15.998 2.569 -11.595 279 H LEU 36 HN LEU 36 10.959 0.202 -5.317 280 HA LEU 36 HA LEU 36 10.759 3.069 -5.631 281 1HB LEU 36 HB2 LEU 36 9.198 0.812 -6.076 282 2HB LEU 36 HB1 LEU 36 8.350 1.617 -4.758 283 HG LEU 36 HG LEU 36 7.502 2.410 -6.918 284 1HD1 LEU 36 HD11 LEU 36 9.230 4.533 -5.615 285 2HD1 LEU 36 HD12 LEU 36 7.674 3.992 -4.986 286 3HD1 LEU 36 HD13 LEU 36 7.759 4.800 -6.551 287 1HD2 LEU 36 HD21 LEU 36 9.715 1.959 -8.113 288 2HD2 LEU 36 HD22 LEU 36 10.278 3.495 -7.455 289 3HD2 LEU 36 HD23 LEU 36 8.900 3.459 -8.555 290 H CYS 37 HN CYS 37 10.293 0.836 -2.917 291 HA CYS 37 HA CYS 37 9.143 2.614 -1.010 292 1HB CYS 37 HB2 CYS 37 10.609 0.039 -1.095 293 2HB CYS 37 HB1 CYS 37 10.671 0.882 0.444 294 H CYS 38 HN CYS 38 12.505 2.152 -2.047 295 HA CYS 38 HA CYS 38 13.599 3.801 0.130 296 1HB CYS 38 HB2 CYS 38 14.863 1.925 -0.746 297 2HB CYS 38 HB1 CYS 38 14.719 2.535 -2.391 298 H PHE 39 HN PHE 39 12.885 4.131 -3.331 299 HA PHE 39 HA PHE 39 14.078 6.726 -3.700 300 1HB PHE 39 HB2 PHE 39 13.705 5.446 -5.632 301 2HB PHE 39 HB1 PHE 39 12.087 4.974 -5.122 302 HD1 PHE 39 HD1 PHE 39 10.195 6.184 -5.844 303 HD2 PHE 39 HD2 PHE 39 14.103 7.928 -6.219 304 HE1 PHE 39 HE1 PHE 39 9.231 8.064 -7.140 305 HE2 PHE 39 HE2 PHE 39 13.139 9.807 -7.517 306 HZ PHE 39 HZ PHE 39 10.702 9.876 -7.977 307 H ARG 40 HN ARG 40 10.767 5.698 -2.856 308 HA ARG 40 HA ARG 40 9.905 8.539 -2.739 309 1HB ARG 40 HB2 ARG 40 8.696 5.884 -3.119 310 2HB ARG 40 HB1 ARG 40 7.740 6.964 -2.107 311 1HG ARG 40 HG2 ARG 40 8.795 8.392 -4.399 312 2HG ARG 40 HG1 ARG 40 7.882 6.975 -4.917 313 1HD ARG 40 HD2 ARG 40 6.054 8.328 -4.651 314 2HD ARG 40 HD1 ARG 40 6.265 8.000 -2.921 315 HE ARG 40 HE ARG 40 7.612 10.319 -4.266 316 1HH1 ARG 40 HH11 ARG 40 8.449 9.857 -1.497 317 2HH1 ARG 40 HH12 ARG 40 7.339 10.810 -0.573 318 1HH2 ARG 40 HH21 ARG 40 5.047 11.129 -3.171 319 2HH2 ARG 40 HH22 ARG 40 5.404 11.538 -1.526 320 H TYR 41 HN TYR 41 9.576 5.660 -0.594 321 HA TYR 41 HA TYR 41 8.936 7.350 1.700 322 1HB TYR 41 HB2 TYR 41 9.426 4.420 1.216 323 2HB TYR 41 HB1 TYR 41 9.141 5.048 2.836 324 HD1 TYR 41 HD1 TYR 41 6.969 6.004 3.458 325 HD2 TYR 41 HD2 TYR 41 7.668 4.406 -0.467 326 HE1 TYR 41 HE1 TYR 41 4.524 5.981 3.032 327 HE2 TYR 41 HE2 TYR 41 5.226 4.388 -0.894 328 HH TYR 41 HH TYR 41 3.071 4.249 0.799 329 H GLY 42 HN GLY 42 11.771 5.512 0.613 330 1HA GLY 42 HA2 GLY 42 14.027 6.210 1.149 331 2HA GLY 42 HA1 GLY 42 13.409 7.016 2.586 332 H ASP 43 HN ASP 43 12.034 3.905 2.143 333 HA ASP 43 HA ASP 43 13.783 2.828 4.309 334 1HB ASP 43 HB2 ASP 43 11.156 1.674 3.371 335 2HB ASP 43 HB1 ASP 43 11.907 1.519 4.946 336 H CYS 44 HN CYS 44 14.474 0.578 4.124 337 HA CYS 44 HA CYS 44 15.403 -1.264 2.967 338 1HB CYS 44 HB2 CYS 44 13.446 -0.557 0.767 339 2HB CYS 44 HB1 CYS 44 14.084 -2.144 1.167 340 H CYS 45 HN CYS 45 16.634 1.318 2.693 341 HA CYS 45 HA CYS 45 17.360 1.652 -0.150 342 1HB CYS 45 HB2 CYS 45 17.934 3.060 2.460 343 2HB CYS 45 HB1 CYS 45 18.777 3.505 0.979 344 H HIS 46 HN HIS 46 19.211 1.254 2.893 345 HA HIS 46 HA HIS 46 21.548 0.265 1.394 346 1HB HIS 46 HB2 HIS 46 22.538 0.224 3.730 347 2HB HIS 46 HB1 HIS 46 21.931 1.795 3.220 348 HD1 HIS 46 HD1 HIS 46 20.311 2.896 4.773 349 HD2 HIS 46 HD2 HIS 46 20.530 -1.212 5.449 350 HE1 HIS 46 HE1 HIS 46 18.864 2.424 6.796 351 H LEU 47 HN LEU 47 19.546 -1.536 0.929 352 HA LEU 47 HA LEU 47 20.035 -3.812 2.809 353 1HB LEU 47 HB2 LEU 47 17.703 -2.830 2.324 354 2HB LEU 47 HB1 LEU 47 17.866 -3.542 0.719 355 HG LEU 47 HG LEU 47 18.549 -5.394 2.900 356 1HD1 LEU 47 HD11 LEU 47 16.719 -4.114 3.984 357 2HD1 LEU 47 HD12 LEU 47 16.229 -5.765 3.608 358 3HD1 LEU 47 HD13 LEU 47 15.689 -4.432 2.588 359 1HD2 LEU 47 HD21 LEU 47 17.258 -6.922 1.534 360 2HD2 LEU 47 HD22 LEU 47 18.248 -5.939 0.454 361 3HD2 LEU 47 HD23 LEU 47 16.530 -5.585 0.644 Start of MODEL 12 1 1H HIS 1 HT1 HIS 1 24.811 5.872 7.025 2 2H HIS 1 HT2 HIS 1 25.778 5.196 8.249 3 3H HIS 1 HT3 HIS 1 24.977 4.188 7.140 4 HA HIS 1 HA HIS 1 26.340 5.066 5.323 5 1HB HIS 1 HB2 HIS 1 26.912 6.939 7.520 6 2HB HIS 1 HB1 HIS 1 28.358 6.423 6.652 7 HD1 HIS 1 HD1 HIS 1 25.530 8.717 6.414 8 HD2 HIS 1 HD2 HIS 1 28.088 6.838 3.710 9 HE1 HIS 1 HE1 HIS 1 25.296 9.963 4.222 10 H SER 2 HN SER 2 27.925 3.579 4.787 11 HA SER 2 HA SER 2 29.795 2.521 6.796 12 1HB SER 2 HB2 SER 2 27.297 1.372 6.625 13 2HB SER 2 HB1 SER 2 28.232 0.366 5.521 14 HG SER 2 HG SER 2 28.476 0.743 8.276 15 H SER 3 HN SER 3 31.313 0.931 5.771 16 HA SER 3 HA SER 3 32.800 0.335 4.047 17 1HB SER 3 HB2 SER 3 30.525 -0.697 3.392 18 2HB SER 3 HB1 SER 3 30.394 0.626 2.236 19 HG SER 3 HG SER 3 32.065 -0.165 1.120 20 H GLY 4 HN GLY 4 33.769 2.555 4.350 21 1HA GLY 4 HA2 GLY 4 33.044 4.600 2.366 22 2HA GLY 4 HA1 GLY 4 34.313 4.742 3.581 23 H TYR 5 HN TYR 5 33.713 2.388 0.947 24 HA TYR 5 HA TYR 5 35.974 3.241 -0.651 25 1HB TYR 5 HB2 TYR 5 37.518 1.472 -0.080 26 2HB TYR 5 HB1 TYR 5 37.019 2.219 1.435 27 HD1 TYR 5 HD1 TYR 5 37.126 -0.826 -0.499 28 HD2 TYR 5 HD2 TYR 5 35.144 1.115 2.781 29 HE1 TYR 5 HE1 TYR 5 36.308 -3.023 0.307 30 HE2 TYR 5 HE2 TYR 5 34.326 -1.082 3.586 31 HH TYR 5 HH TYR 5 34.274 -3.810 1.754 32 H THR 6 HN THR 6 36.134 1.975 -2.597 33 HA THR 6 HA THR 6 35.344 0.612 -4.338 34 HB THR 6 HB THR 6 35.307 -0.847 -1.899 35 HG1 THR 6 HG1 THR 6 36.318 -2.090 -3.223 36 1HG2 THR 6 HG21 THR 6 33.517 -2.436 -2.181 37 2HG2 THR 6 HG22 THR 6 33.029 -1.700 -3.707 38 3HG2 THR 6 HG23 THR 6 32.791 -0.829 -2.192 39 H ARG 7 HN ARG 7 33.286 -0.062 -5.434 40 HA ARG 7 HA ARG 7 31.179 1.922 -4.958 41 1HB ARG 7 HB2 ARG 7 32.198 0.297 -7.094 42 2HB ARG 7 HB1 ARG 7 30.468 0.003 -6.946 43 1HG ARG 7 HG2 ARG 7 31.271 2.843 -6.741 44 2HG ARG 7 HG1 ARG 7 31.543 2.105 -8.319 45 1HD ARG 7 HD2 ARG 7 29.054 1.167 -7.853 46 2HD ARG 7 HD1 ARG 7 28.971 2.677 -6.925 47 HE ARG 7 HE ARG 7 29.707 2.530 -9.824 48 1HH1 ARG 7 HH21 ARG 7 30.715 4.972 -8.461 49 2HH1 ARG 7 HH22 ARG 7 29.408 6.089 -8.669 50 1HH2 ARG 7 HH11 ARG 7 27.090 3.628 -9.480 51 2HH2 ARG 7 HH12 ARG 7 27.347 5.325 -9.248 52 HA PRO 8 HA PRO 8 28.737 -0.846 -2.506 53 1HB PRO 8 HB2 PRO 8 26.418 0.605 -2.515 54 2HB PRO 8 HB1 PRO 8 27.832 1.047 -1.537 55 1HG PRO 8 HG2 PRO 8 26.874 2.190 -4.104 56 2HG PRO 8 HG1 PRO 8 27.642 2.991 -2.725 57 1HD PRO 8 HD2 PRO 8 28.934 2.336 -5.062 58 2HD PRO 8 HD1 PRO 8 29.744 2.575 -3.500 59 H LEU 9 HN LEU 9 27.036 -2.376 -2.826 60 HA LEU 9 HA LEU 9 26.474 -3.080 -5.601 61 1HB LEU 9 HB2 LEU 9 25.898 -4.150 -2.855 62 2HB LEU 9 HB1 LEU 9 25.009 -4.808 -4.227 63 HG LEU 9 HG LEU 9 27.518 -4.852 -5.247 64 1HD1 LEU 9 HD11 LEU 9 28.600 -4.027 -3.237 65 2HD1 LEU 9 HD12 LEU 9 29.001 -5.735 -3.419 66 3HD1 LEU 9 HD13 LEU 9 27.779 -5.237 -2.250 67 1HD2 LEU 9 HD21 LEU 9 26.056 -6.771 -5.255 68 2HD2 LEU 9 HD22 LEU 9 26.140 -6.910 -3.498 69 3HD2 LEU 9 HD23 LEU 9 27.560 -7.268 -4.480 70 H ARG 10 HN ARG 10 24.072 -3.721 -6.099 71 HA ARG 10 HA ARG 10 22.464 -1.328 -6.098 72 1HB ARG 10 HB2 ARG 10 22.574 -3.308 -7.752 73 2HB ARG 10 HB1 ARG 10 21.515 -4.153 -6.623 74 1HG ARG 10 HG2 ARG 10 19.738 -2.670 -6.970 75 2HG ARG 10 HG1 ARG 10 20.795 -1.385 -7.555 76 1HD ARG 10 HD2 ARG 10 20.495 -3.981 -9.086 77 2HD ARG 10 HD1 ARG 10 19.388 -2.617 -9.339 78 HE ARG 10 HE ARG 10 22.329 -2.552 -9.844 79 1HH1 ARG 10 HH21 ARG 10 20.470 -2.139 -12.105 80 2HH1 ARG 10 HH22 ARG 10 20.369 -0.413 -12.216 81 1HH2 ARG 10 HH11 ARG 10 21.659 0.125 -9.032 82 2HH2 ARG 10 HH12 ARG 10 21.045 0.875 -10.468 83 H LYS 11 HN LYS 11 22.079 -0.735 -3.902 84 HA LYS 11 HA LYS 11 19.874 -2.203 -2.600 85 1HB LYS 11 HB2 LYS 11 22.615 -2.592 -1.917 86 2HB LYS 11 HB1 LYS 11 21.882 -1.674 -0.602 87 1HG LYS 11 HG2 LYS 11 20.376 -4.016 -1.705 88 2HG LYS 11 HG1 LYS 11 21.752 -4.327 -0.646 89 1HD LYS 11 HD2 LYS 11 20.750 -2.793 1.050 90 2HD LYS 11 HD1 LYS 11 19.342 -2.602 0.005 91 1HE LYS 11 HE2 LYS 11 18.578 -4.351 1.329 92 2HE LYS 11 HE1 LYS 11 19.425 -5.299 0.091 93 1HZ LYS 11 HZ1 LYS 11 20.209 -5.955 2.261 94 2HZ LYS 11 HZ2 LYS 11 20.562 -4.345 2.670 95 3HZ LYS 11 HZ3 LYS 11 21.453 -5.131 1.455 96 HA PRO 12 HA PRO 12 19.674 2.362 -2.110 97 1HB PRO 12 HB2 PRO 12 17.024 2.592 -2.754 98 2HB PRO 12 HB1 PRO 12 18.314 2.560 -3.971 99 1HG PRO 12 HG2 PRO 12 16.428 0.426 -3.156 100 2HG PRO 12 HG1 PRO 12 17.134 0.770 -4.741 101 1HD PRO 12 HD2 PRO 12 17.972 -1.228 -3.019 102 2HD PRO 12 HD1 PRO 12 18.935 -0.552 -4.348 103 H SER 13 HN SER 13 17.340 3.416 -0.997 104 HA SER 13 HA SER 13 17.465 2.436 1.746 105 1HB SER 13 HB2 SER 13 15.781 4.524 0.328 106 2HB SER 13 HB1 SER 13 15.817 4.306 2.074 107 HG SER 13 HG SER 13 18.120 4.663 1.921 108 H ARG 14 HN ARG 14 15.400 1.939 2.965 109 HA ARG 14 HA ARG 14 14.000 -0.283 1.889 110 1HB ARG 14 HB2 ARG 14 12.536 0.050 3.870 111 2HB ARG 14 HB1 ARG 14 14.239 0.227 4.286 112 1HG ARG 14 HG2 ARG 14 13.906 2.343 4.981 113 2HG ARG 14 HG1 ARG 14 13.161 2.777 3.444 114 1HD ARG 14 HD2 ARG 14 11.081 2.710 4.350 115 2HD ARG 14 HD1 ARG 14 11.385 1.118 5.075 116 HE ARG 14 HE ARG 14 12.260 3.705 6.310 117 1HH1 ARG 14 HH11 ARG 14 13.344 0.764 6.877 118 2HH1 ARG 14 HH12 ARG 14 12.576 0.486 8.404 119 1HH2 ARG 14 HH21 ARG 14 10.411 3.189 8.100 120 2HH2 ARG 14 HH22 ARG 14 10.908 1.865 9.099 121 HA PRO 15 HA PRO 15 10.966 1.573 -0.709 122 1HB PRO 15 HB2 PRO 15 9.008 -0.337 -0.585 123 2HB PRO 15 HB1 PRO 15 10.511 -0.543 -1.506 124 1HG PRO 15 HG2 PRO 15 9.781 -1.595 1.182 125 2HG PRO 15 HG1 PRO 15 10.672 -2.379 -0.132 126 1HD PRO 15 HD2 PRO 15 11.883 -1.309 2.054 127 2HD PRO 15 HD1 PRO 15 12.662 -1.404 0.458 128 H ILE 16 HN ILE 16 8.944 2.677 -0.597 129 HA ILE 16 HA ILE 16 8.063 3.331 2.152 130 HB ILE 16 HB ILE 16 6.877 5.171 0.986 131 1HG1 ILE 16 HG12 ILE 16 8.105 4.551 -1.634 132 2HG1 ILE 16 HG11 ILE 16 6.789 3.475 -1.166 133 1HG2 ILE 16 HG21 ILE 16 9.711 4.814 -0.032 134 2HG2 ILE 16 HG22 ILE 16 9.290 5.382 1.583 135 3HG2 ILE 16 HG23 ILE 16 8.853 6.342 0.170 136 1HD1 ILE 16 HD11 ILE 16 5.850 5.359 -2.381 137 2HD1 ILE 16 HD12 ILE 16 6.681 6.500 -1.324 138 3HD1 ILE 16 HD13 ILE 16 5.382 5.493 -0.686 139 H PHE 17 HN PHE 17 5.592 3.672 2.383 140 HA PHE 17 HA PHE 17 4.122 1.419 1.076 141 1HB PHE 17 HB2 PHE 17 2.880 1.444 3.375 142 2HB PHE 17 HB1 PHE 17 4.470 0.699 3.289 143 HD1 PHE 17 HD1 PHE 17 2.579 3.684 4.395 144 HD2 PHE 17 HD2 PHE 17 6.387 1.697 4.380 145 HE1 PHE 17 HE1 PHE 17 3.403 5.249 6.132 146 HE2 PHE 17 HE2 PHE 17 7.212 3.263 6.116 147 HZ PHE 17 HZ PHE 17 5.719 5.039 6.993 148 H ILE 18 HN ILE 18 2.059 1.907 0.329 149 HA ILE 18 HA ILE 18 0.960 4.626 0.925 150 HB ILE 18 HB ILE 18 0.415 4.808 -1.487 151 1HG1 ILE 18 HG12 ILE 18 2.017 2.248 -1.788 152 2HG1 ILE 18 HG11 ILE 18 0.258 2.325 -1.869 153 1HG2 ILE 18 HG21 ILE 18 2.606 5.337 -2.232 154 2HG2 ILE 18 HG22 ILE 18 3.337 4.087 -1.226 155 3HG2 ILE 18 HG23 ILE 18 2.665 5.537 -0.481 156 1HD1 ILE 18 HD11 ILE 18 0.797 4.241 -3.652 157 2HD1 ILE 18 HD12 ILE 18 0.739 2.541 -4.117 158 3HD1 ILE 18 HD13 ILE 18 2.293 3.321 -3.818 159 H ARG 19 HN ARG 19 -1.387 4.661 -0.156 160 HA ARG 19 HA ARG 19 -3.042 2.848 1.276 161 1HB ARG 19 HB2 ARG 19 -3.858 4.988 0.633 162 2HB ARG 19 HB1 ARG 19 -3.431 4.733 -1.057 163 1HG ARG 19 HG2 ARG 19 -5.822 4.475 -0.854 164 2HG ARG 19 HG1 ARG 19 -5.134 2.876 -1.128 165 1HD ARG 19 HD2 ARG 19 -6.436 2.329 0.698 166 2HD ARG 19 HD1 ARG 19 -5.056 2.978 1.600 167 HE ARG 19 HE ARG 19 -6.422 4.791 2.209 168 1HH1 ARG 19 HH21 ARG 19 -8.130 2.911 -0.048 169 2HH1 ARG 19 HH22 ARG 19 -9.226 4.167 -0.509 170 1HH2 ARG 19 HH11 ARG 19 -7.586 6.636 1.298 171 2HH2 ARG 19 HH12 ARG 19 -8.917 6.275 0.251 172 HA PRO 20 HA PRO 20 -2.629 -0.654 -1.441 173 1HB PRO 20 HB2 PRO 20 -4.446 -2.245 -0.141 174 2HB PRO 20 HB1 PRO 20 -2.789 -1.980 0.438 175 1HG PRO 20 HG2 PRO 20 -5.332 -0.748 1.357 176 2HG PRO 20 HG1 PRO 20 -3.915 -1.244 2.291 177 1HD PRO 20 HD2 PRO 20 -4.449 1.346 1.613 178 2HD PRO 20 HD1 PRO 20 -2.819 0.724 1.915 179 H ILE 21 HN ILE 21 -4.134 -1.960 -2.811 180 HA ILE 21 HA ILE 21 -6.155 -0.265 -4.051 181 HB ILE 21 HB ILE 21 -4.796 -2.894 -4.534 182 1HG1 ILE 21 HG12 ILE 21 -3.820 -0.730 -5.252 183 2HG1 ILE 21 HG11 ILE 21 -4.175 -1.786 -6.613 184 1HG2 ILE 21 HG21 ILE 21 -7.135 -3.404 -5.078 185 2HG2 ILE 21 HG22 ILE 21 -6.185 -3.261 -6.556 186 3HG2 ILE 21 HG23 ILE 21 -7.242 -1.941 -6.058 187 1HD1 ILE 21 HD11 ILE 21 -5.039 0.271 -7.336 188 2HD1 ILE 21 HD12 ILE 21 -5.620 0.698 -5.727 189 3HD1 ILE 21 HD13 ILE 21 -6.466 -0.526 -6.674 190 H GLY 22 HN GLY 22 -8.309 -1.204 -4.613 191 1HA GLY 22 HA2 GLY 22 -10.142 -2.747 -4.082 192 2HA GLY 22 HA1 GLY 22 -9.423 -2.978 -2.491 193 H CYS 23 HN CYS 23 -9.105 -0.703 -1.345 194 HA CYS 23 HA CYS 23 -11.727 0.358 -0.817 195 1HB CYS 23 HB2 CYS 23 -8.889 0.916 -0.067 196 2HB CYS 23 HB1 CYS 23 -10.086 2.144 0.321 197 H ASP 24 HN ASP 24 -9.143 1.375 -2.987 198 HA ASP 24 HA ASP 24 -10.402 3.978 -3.542 199 1HB ASP 24 HB2 ASP 24 -7.873 2.617 -3.954 200 2HB ASP 24 HB1 ASP 24 -8.422 3.358 -5.457 201 H VAL 25 HN VAL 25 -11.567 1.093 -4.251 202 HA VAL 25 HA VAL 25 -12.491 1.875 -6.962 203 HB VAL 25 HB VAL 25 -11.645 -0.930 -6.154 204 1HG1 VAL 25 HG11 VAL 25 -12.679 0.379 -8.635 205 2HG1 VAL 25 HG12 VAL 25 -13.011 -1.229 -7.992 206 3HG1 VAL 25 HG13 VAL 25 -11.488 -0.908 -8.821 207 1HG2 VAL 25 HG21 VAL 25 -9.601 0.285 -6.145 208 2HG2 VAL 25 HG22 VAL 25 -10.093 1.282 -7.513 209 3HG2 VAL 25 HG23 VAL 25 -9.687 -0.416 -7.761 210 H CYS 26 HN CYS 26 -14.120 2.491 -5.056 211 HA CYS 26 HA CYS 26 -15.725 0.713 -3.641 212 1HB CYS 26 HB2 CYS 26 -16.361 3.256 -5.155 213 2HB CYS 26 HB1 CYS 26 -17.519 2.491 -4.075 214 H TYR 27 HN TYR 27 -15.666 1.192 -7.121 215 HA TYR 27 HA TYR 27 -18.111 -0.492 -7.430 216 1HB TYR 27 HB2 TYR 27 -16.581 1.115 -9.494 217 2HB TYR 27 HB1 TYR 27 -18.202 0.453 -9.662 218 HD1 TYR 27 HD1 TYR 27 -16.266 3.288 -8.637 219 HD2 TYR 27 HD2 TYR 27 -20.007 1.275 -7.993 220 HE1 TYR 27 HE1 TYR 27 -17.216 5.362 -7.668 221 HE2 TYR 27 HE2 TYR 27 -20.955 3.351 -7.023 222 HH TYR 27 HH TYR 27 -19.722 5.531 -5.793 223 H GLY 28 HN GLY 28 -17.818 -2.592 -8.016 224 1HA GLY 28 HA2 GLY 28 -16.810 -4.190 -9.616 225 2HA GLY 28 HA1 GLY 28 -15.280 -3.345 -9.403 226 H ILE 29 HN ILE 29 -15.724 -3.144 -6.431 227 HA ILE 29 HA ILE 29 -14.594 -5.769 -5.766 228 HB ILE 29 HB ILE 29 -14.187 -4.736 -3.585 229 1HG1 ILE 29 HG12 ILE 29 -15.807 -2.378 -4.604 230 2HG1 ILE 29 HG11 ILE 29 -16.401 -3.565 -3.442 231 1HG2 ILE 29 HG21 ILE 29 -13.709 -2.771 -5.843 232 2HG2 ILE 29 HG22 ILE 29 -12.684 -4.151 -5.452 233 3HG2 ILE 29 HG23 ILE 29 -12.839 -2.817 -4.310 234 1HD1 ILE 29 HD11 ILE 29 -15.581 -1.702 -2.165 235 2HD1 ILE 29 HD12 ILE 29 -14.081 -1.649 -3.091 236 3HD1 ILE 29 HD13 ILE 29 -14.394 -2.995 -1.995 237 HA PRO 30 HA PRO 30 -18.212 -7.597 -4.135 238 1HB PRO 30 HB2 PRO 30 -17.189 -9.046 -2.044 239 2HB PRO 30 HB1 PRO 30 -16.990 -9.498 -3.749 240 1HG PRO 30 HG2 PRO 30 -15.063 -8.257 -1.887 241 2HG PRO 30 HG1 PRO 30 -14.779 -9.348 -3.243 242 1HD PRO 30 HD2 PRO 30 -14.362 -6.605 -3.285 243 2HD PRO 30 HD1 PRO 30 -14.546 -7.635 -4.716 244 H SER 31 HN SER 31 -19.747 -7.485 -2.421 245 HA SER 31 HA SER 31 -19.937 -5.071 -0.967 246 1HB SER 31 HB2 SER 31 -21.726 -6.757 -1.586 247 2HB SER 31 HB1 SER 31 -21.163 -7.748 -0.246 248 HG SER 31 HG SER 31 -21.896 -6.294 1.159 249 H SER 32 HN SER 32 -18.759 -8.263 0.131 250 HA SER 32 HA SER 32 -18.423 -7.599 2.890 251 1HB SER 32 HB2 SER 32 -18.306 -9.856 1.566 252 2HB SER 32 HB1 SER 32 -16.602 -9.456 1.363 253 HG SER 32 HG SER 32 -16.487 -9.265 3.658 254 H THR 33 HN THR 33 -16.107 -7.400 0.159 255 HA THR 33 HA THR 33 -13.933 -6.340 1.748 256 HB THR 33 HB THR 33 -14.604 -6.133 -1.207 257 HG1 THR 33 HG1 THR 33 -12.896 -7.905 0.215 258 1HG2 THR 33 HG21 THR 33 -12.913 -4.590 -1.099 259 2HG2 THR 33 HG22 THR 33 -11.911 -6.041 -1.118 260 3HG2 THR 33 HG23 THR 33 -12.274 -5.240 0.411 261 H ALA 34 HN ALA 34 -16.517 -4.870 -0.217 262 HA ALA 34 HA ALA 34 -15.722 -2.140 0.047 263 1HB ALA 34 HB1 ALA 34 -17.357 -2.594 -1.571 264 2HB ALA 34 HB2 ALA 34 -18.333 -1.896 -0.278 265 3HB ALA 34 HB3 ALA 34 -18.270 -3.646 -0.490 266 H ARG 35 HN ARG 35 -17.765 -4.214 2.120 267 HA ARG 35 HA ARG 35 -18.621 -2.188 3.962 268 1HB ARG 35 HB2 ARG 35 -19.590 -4.456 3.770 269 2HB ARG 35 HB1 ARG 35 -18.075 -5.158 4.331 270 1HG ARG 35 HG2 ARG 35 -19.478 -5.081 6.255 271 2HG ARG 35 HG1 ARG 35 -18.363 -3.728 6.439 272 1HD ARG 35 HD2 ARG 35 -20.493 -2.784 6.924 273 2HD ARG 35 HD1 ARG 35 -20.215 -2.331 5.232 274 HE ARG 35 HE ARG 35 -21.535 -4.931 5.566 275 1HH1 ARG 35 HH11 ARG 35 -21.952 -3.280 3.152 276 2HH1 ARG 35 HH12 ARG 35 -23.517 -2.588 3.421 277 1HH2 ARG 35 HH21 ARG 35 -23.523 -3.276 6.830 278 2HH2 ARG 35 HH22 ARG 35 -24.410 -2.582 5.514 279 H LEU 36 HN LEU 36 -15.813 -4.389 3.986 280 HA LEU 36 HA LEU 36 -14.676 -3.532 6.476 281 1HB LEU 36 HB2 LEU 36 -14.049 -5.184 4.150 282 2HB LEU 36 HB1 LEU 36 -12.619 -4.363 4.763 283 HG LEU 36 HG LEU 36 -13.609 -5.175 7.109 284 1HD1 LEU 36 HD11 LEU 36 -15.616 -6.180 5.983 285 2HD1 LEU 36 HD12 LEU 36 -14.686 -7.347 6.923 286 3HD1 LEU 36 HD13 LEU 36 -14.537 -7.312 5.166 287 1HD2 LEU 36 HD21 LEU 36 -12.120 -6.981 5.173 288 2HD2 LEU 36 HD22 LEU 36 -12.137 -7.149 6.928 289 3HD2 LEU 36 HD23 LEU 36 -11.383 -5.739 6.184 290 H CYS 37 HN CYS 37 -14.286 -2.400 3.130 291 HA CYS 37 HA CYS 37 -12.117 -0.578 3.542 292 1HB CYS 37 HB2 CYS 37 -14.211 -1.182 1.541 293 2HB CYS 37 HB1 CYS 37 -13.600 0.466 1.494 294 H CYS 38 HN CYS 38 -15.623 -0.241 3.999 295 HA CYS 38 HA CYS 38 -15.496 2.659 4.429 296 1HB CYS 38 HB2 CYS 38 -17.464 1.649 3.451 297 2HB CYS 38 HB1 CYS 38 -17.604 0.506 4.783 298 H PHE 39 HN PHE 39 -15.742 -0.274 6.407 299 HA PHE 39 HA PHE 39 -16.158 0.994 8.947 300 1HB PHE 39 HB2 PHE 39 -16.695 -1.284 8.788 301 2HB PHE 39 HB1 PHE 39 -15.209 -1.673 7.927 302 HD1 PHE 39 HD1 PHE 39 -13.387 -2.569 9.092 303 HD2 PHE 39 HD2 PHE 39 -16.423 -0.431 11.251 304 HE1 PHE 39 HE1 PHE 39 -12.301 -3.189 11.232 305 HE2 PHE 39 HE2 PHE 39 -15.336 -1.052 13.392 306 HZ PHE 39 HZ PHE 39 -13.275 -2.430 13.382 307 H ARG 40 HN ARG 40 -13.181 0.051 7.223 308 HA ARG 40 HA ARG 40 -11.558 1.107 9.488 309 1HB ARG 40 HB2 ARG 40 -11.262 -0.874 7.311 310 2HB ARG 40 HB1 ARG 40 -9.805 0.044 7.689 311 1HG ARG 40 HG2 ARG 40 -10.522 -0.513 10.191 312 2HG ARG 40 HG1 ARG 40 -11.339 -1.865 9.407 313 1HD ARG 40 HD2 ARG 40 -8.476 -1.273 8.687 314 2HD ARG 40 HD1 ARG 40 -8.839 -2.163 10.178 315 HE ARG 40 HE ARG 40 -10.288 -3.138 7.817 316 1HH1 ARG 40 HH11 ARG 40 -7.252 -3.328 7.406 317 2HH1 ARG 40 HH12 ARG 40 -6.945 -4.935 7.975 318 1HH2 ARG 40 HH21 ARG 40 -10.013 -5.224 9.589 319 2HH2 ARG 40 HH22 ARG 40 -8.517 -6.014 9.219 320 H TYR 41 HN TYR 41 -11.427 1.310 5.891 321 HA TYR 41 HA TYR 41 -9.755 3.691 5.989 322 1HB TYR 41 HB2 TYR 41 -11.220 2.173 3.832 323 2HB TYR 41 HB1 TYR 41 -10.265 3.610 3.482 324 HD1 TYR 41 HD1 TYR 41 -7.841 3.583 3.632 325 HD2 TYR 41 HD2 TYR 41 -10.156 0.116 4.664 326 HE1 TYR 41 HE1 TYR 41 -5.779 2.201 3.615 327 HE2 TYR 41 HE2 TYR 41 -8.095 -1.264 4.654 328 HH TYR 41 HH TYR 41 -5.231 -0.293 4.977 329 H GLY 42 HN GLY 42 -13.197 3.080 5.352 330 1HA GLY 42 HA2 GLY 42 -14.898 4.706 5.931 331 2HA GLY 42 HA1 GLY 42 -13.699 5.981 5.764 332 H ASP 43 HN ASP 43 -13.509 3.705 3.210 333 HA ASP 43 HA ASP 43 -14.925 5.621 1.403 334 1HB ASP 43 HB2 ASP 43 -12.986 3.448 0.597 335 2HB ASP 43 HB1 ASP 43 -13.409 4.902 -0.288 336 H CYS 44 HN CYS 44 -16.235 4.704 -0.318 337 HA CYS 44 HA CYS 44 -17.869 3.242 -1.188 338 1HB CYS 44 HB2 CYS 44 -16.340 1.064 0.248 339 2HB CYS 44 HB1 CYS 44 -17.284 0.917 -1.224 340 H CYS 45 HN CYS 45 -18.433 4.559 1.254 341 HA CYS 45 HA CYS 45 -19.586 2.619 3.145 342 1HB CYS 45 HB2 CYS 45 -19.373 5.623 2.904 343 2HB CYS 45 HB1 CYS 45 -20.348 4.879 4.167 344 H HIS 46 HN HIS 46 -20.902 5.367 1.260 345 HA HIS 46 HA HIS 46 -23.610 4.156 1.397 346 1HB HIS 46 HB2 HIS 46 -22.417 6.841 0.735 347 2HB HIS 46 HB1 HIS 46 -24.074 6.477 0.257 348 HD1 HIS 46 HD1 HIS 46 -25.764 5.868 2.224 349 HD2 HIS 46 HD2 HIS 46 -22.078 7.364 3.470 350 HE1 HIS 46 HE1 HIS 46 -26.041 6.520 4.656 351 H LEU 47 HN LEU 47 -22.437 2.450 -0.163 352 HA LEU 47 HA LEU 47 -22.291 3.319 -2.982 353 1HB LEU 47 HB2 LEU 47 -21.161 1.319 -1.345 354 2HB LEU 47 HB1 LEU 47 -22.194 0.455 -2.482 355 HG LEU 47 HG LEU 47 -19.925 0.712 -3.398 356 1HD1 LEU 47 HD11 LEU 47 -20.568 1.395 -5.547 357 2HD1 LEU 47 HD12 LEU 47 -21.648 2.646 -4.931 358 3HD1 LEU 47 HD13 LEU 47 -22.106 0.947 -4.808 359 1HD2 LEU 47 HD21 LEU 47 -19.466 3.251 -4.094 360 2HD2 LEU 47 HD22 LEU 47 -18.947 2.619 -2.532 361 3HD2 LEU 47 HD23 LEU 47 -20.430 3.564 -2.651 Start of MODEL 13 1 1H HIS 1 HT1 HIS 1 -1.955 0.407 -14.937 2 2H HIS 1 HT2 HIS 1 -0.682 0.200 -13.831 3 3H HIS 1 HT3 HIS 1 -0.449 1.131 -15.233 4 HA HIS 1 HA HIS 1 -0.731 2.560 -13.277 5 1HB HIS 1 HB2 HIS 1 -1.465 3.099 -15.648 6 2HB HIS 1 HB1 HIS 1 -3.093 2.604 -15.185 7 HD1 HIS 1 HD1 HIS 1 -4.309 4.071 -13.343 8 HD2 HIS 1 HD2 HIS 1 -0.687 5.635 -14.702 9 HE1 HIS 1 HE1 HIS 1 -4.229 6.480 -12.567 10 H SER 2 HN SER 2 -2.177 3.286 -11.582 11 HA SER 2 HA SER 2 -3.661 1.218 -10.237 12 1HB SER 2 HB2 SER 2 -2.494 3.279 -9.288 13 2HB SER 2 HB1 SER 2 -3.866 4.221 -9.866 14 HG SER 2 HG SER 2 -3.975 3.425 -7.636 15 H SER 3 HN SER 3 -5.985 1.113 -9.902 16 HA SER 3 HA SER 3 -7.562 2.314 -12.146 17 1HB SER 3 HB2 SER 3 -7.207 -0.297 -11.335 18 2HB SER 3 HB1 SER 3 -8.726 0.127 -10.551 19 HG SER 3 HG SER 3 -8.915 -0.682 -12.744 20 H GLY 4 HN GLY 4 -9.258 3.674 -11.644 21 1HA GLY 4 HA2 GLY 4 -9.597 4.581 -8.904 22 2HA GLY 4 HA1 GLY 4 -10.523 5.138 -10.298 23 H TYR 5 HN TYR 5 -10.399 2.823 -7.689 24 HA TYR 5 HA TYR 5 -12.587 1.134 -8.513 25 1HB TYR 5 HB2 TYR 5 -10.787 0.715 -6.767 26 2HB TYR 5 HB1 TYR 5 -11.670 1.811 -5.703 27 HD1 TYR 5 HD1 TYR 5 -13.561 1.070 -4.489 28 HD2 TYR 5 HD2 TYR 5 -12.018 -1.319 -7.709 29 HE1 TYR 5 HE1 TYR 5 -15.098 -0.770 -3.861 30 HE2 TYR 5 HE2 TYR 5 -13.556 -3.159 -7.079 31 HH TYR 5 HH TYR 5 -14.792 -3.733 -4.542 32 H THR 6 HN THR 6 -14.780 1.177 -7.789 33 HA THR 6 HA THR 6 -15.936 3.847 -7.492 34 HB THR 6 HB THR 6 -17.311 1.158 -7.253 35 HG1 THR 6 HG1 THR 6 -16.572 2.561 -9.609 36 1HG2 THR 6 HG21 THR 6 -19.138 2.439 -8.410 37 2HG2 THR 6 HG22 THR 6 -18.152 3.893 -8.247 38 3HG2 THR 6 HG23 THR 6 -18.738 3.059 -6.808 39 H ARG 7 HN ARG 7 -16.405 4.810 -5.568 40 HA ARG 7 HA ARG 7 -15.681 3.782 -3.030 41 1HB ARG 7 HB2 ARG 7 -17.061 5.696 -2.193 42 2HB ARG 7 HB1 ARG 7 -15.989 6.156 -3.514 43 1HG ARG 7 HG2 ARG 7 -18.420 5.266 -4.696 44 2HG ARG 7 HG1 ARG 7 -18.856 6.358 -3.382 45 1HD ARG 7 HD2 ARG 7 -16.605 7.210 -5.157 46 2HD ARG 7 HD1 ARG 7 -18.249 7.295 -5.819 47 HE ARG 7 HE ARG 7 -17.675 8.470 -3.132 48 1HH1 ARG 7 HH21 ARG 7 -16.944 10.104 -5.623 49 2HH1 ARG 7 HH22 ARG 7 -18.363 11.080 -5.803 50 1HH2 ARG 7 HH11 ARG 7 -20.299 9.116 -3.685 51 2HH2 ARG 7 HH12 ARG 7 -20.270 10.518 -4.701 52 HA PRO 8 HA PRO 8 -19.136 0.935 -2.623 53 1HB PRO 8 HB2 PRO 8 -18.208 -0.288 -0.359 54 2HB PRO 8 HB1 PRO 8 -17.600 -0.671 -1.982 55 1HG PRO 8 HG2 PRO 8 -16.391 1.018 0.142 56 2HG PRO 8 HG1 PRO 8 -15.614 -0.072 -1.015 57 1HD PRO 8 HD2 PRO 8 -15.678 2.656 -1.274 58 2HD PRO 8 HD1 PRO 8 -15.496 1.528 -2.635 59 H LEU 9 HN LEU 9 -20.965 0.899 -1.235 60 HA LEU 9 HA LEU 9 -21.323 3.245 0.480 61 1HB LEU 9 HB2 LEU 9 -22.906 1.225 -0.902 62 2HB LEU 9 HB1 LEU 9 -23.513 1.499 0.729 63 HG LEU 9 HG LEU 9 -24.553 3.017 -0.960 64 1HD1 LEU 9 HD11 LEU 9 -22.783 4.534 0.974 65 2HD1 LEU 9 HD12 LEU 9 -24.223 3.645 1.471 66 3HD1 LEU 9 HD13 LEU 9 -24.369 5.014 0.369 67 1HD2 LEU 9 HD21 LEU 9 -21.841 4.348 -1.123 68 2HD2 LEU 9 HD22 LEU 9 -23.271 4.673 -2.102 69 3HD2 LEU 9 HD23 LEU 9 -22.379 3.167 -2.317 70 H ARG 10 HN ARG 10 -22.318 2.921 2.710 71 HA ARG 10 HA ARG 10 -22.243 2.072 4.910 72 1HB ARG 10 HB2 ARG 10 -22.899 0.009 3.383 73 2HB ARG 10 HB1 ARG 10 -21.283 -0.547 3.810 74 1HG ARG 10 HG2 ARG 10 -21.799 -0.452 6.172 75 2HG ARG 10 HG1 ARG 10 -23.351 0.323 5.846 76 1HD ARG 10 HD2 ARG 10 -23.386 -2.020 4.286 77 2HD ARG 10 HD1 ARG 10 -22.704 -2.512 5.849 78 HE ARG 10 HE ARG 10 -24.732 -1.083 6.780 79 1HH1 ARG 10 HH11 ARG 10 -25.009 -4.071 5.936 80 2HH1 ARG 10 HH12 ARG 10 -26.530 -4.011 5.111 81 1HH2 ARG 10 HH21 ARG 10 -26.555 -0.545 4.857 82 2HH2 ARG 10 HH22 ARG 10 -27.409 -2.008 4.499 83 H LYS 11 HN LYS 11 -20.655 1.432 6.560 84 HA LYS 11 HA LYS 11 -18.080 2.552 6.211 85 1HB LYS 11 HB2 LYS 11 -17.617 1.463 8.391 86 2HB LYS 11 HB1 LYS 11 -19.213 2.208 8.372 87 1HG LYS 11 HG2 LYS 11 -20.319 0.169 8.341 88 2HG LYS 11 HG1 LYS 11 -18.981 -0.666 7.554 89 1HD LYS 11 HD2 LYS 11 -17.916 0.216 9.989 90 2HD LYS 11 HD1 LYS 11 -19.535 -0.351 10.395 91 1HE LYS 11 HE2 LYS 11 -18.519 -2.409 10.468 92 2HE LYS 11 HE1 LYS 11 -18.687 -2.344 8.703 93 1HZ LYS 11 HZ1 LYS 11 -16.367 -2.738 9.493 94 2HZ LYS 11 HZ2 LYS 11 -16.381 -1.184 10.179 95 3HZ LYS 11 HZ3 LYS 11 -16.535 -1.376 8.495 96 HA PRO 12 HA PRO 12 -15.853 -0.630 4.130 97 1HB PRO 12 HB2 PRO 12 -13.309 0.077 4.857 98 2HB PRO 12 HB1 PRO 12 -14.268 0.993 3.680 99 1HG PRO 12 HG2 PRO 12 -13.719 1.577 6.539 100 2HG PRO 12 HG1 PRO 12 -13.869 2.684 5.167 101 1HD PRO 12 HD2 PRO 12 -15.839 2.248 7.030 102 2HD PRO 12 HD1 PRO 12 -16.132 2.838 5.381 103 H SER 13 HN SER 13 -13.447 -1.815 5.044 104 HA SER 13 HA SER 13 -14.405 -3.823 6.864 105 1HB SER 13 HB2 SER 13 -11.712 -3.027 5.748 106 2HB SER 13 HB1 SER 13 -11.895 -4.411 6.822 107 HG SER 13 HG SER 13 -12.102 -5.095 4.697 108 H ARG 14 HN ARG 14 -13.277 -4.345 8.968 109 HA ARG 14 HA ARG 14 -13.472 -2.236 10.867 110 1HB ARG 14 HB2 ARG 14 -12.415 -3.912 12.379 111 2HB ARG 14 HB1 ARG 14 -13.683 -4.629 11.388 112 1HG ARG 14 HG2 ARG 14 -12.203 -6.121 10.583 113 2HG ARG 14 HG1 ARG 14 -11.243 -4.802 9.915 114 1HD ARG 14 HD2 ARG 14 -9.623 -5.437 11.381 115 2HD ARG 14 HD1 ARG 14 -10.648 -4.738 12.649 116 HE ARG 14 HE ARG 14 -10.556 -7.618 11.900 117 1HH1 ARG 14 HH11 ARG 14 -10.302 -5.891 14.600 118 2HH1 ARG 14 HH12 ARG 14 -11.670 -6.537 15.441 119 1HH2 ARG 14 HH21 ARG 14 -12.995 -8.097 12.631 120 2HH2 ARG 14 HH22 ARG 14 -13.200 -7.791 14.323 121 HA PRO 15 HA PRO 15 -9.599 -0.173 10.550 122 1HB PRO 15 HB2 PRO 15 -9.245 0.647 13.137 123 2HB PRO 15 HB1 PRO 15 -10.421 1.388 12.034 124 1HG PRO 15 HG2 PRO 15 -10.853 -0.611 14.196 125 2HG PRO 15 HG1 PRO 15 -11.855 0.768 13.719 126 1HD PRO 15 HD2 PRO 15 -12.419 -1.805 13.028 127 2HD PRO 15 HD1 PRO 15 -12.902 -0.401 12.051 128 H ILE 16 HN ILE 16 -7.363 -0.460 11.014 129 HA ILE 16 HA ILE 16 -6.625 -2.738 12.802 130 HB ILE 16 HB ILE 16 -5.105 -3.508 10.949 131 1HG1 ILE 16 HG12 ILE 16 -6.720 -1.747 9.109 132 2HG1 ILE 16 HG11 ILE 16 -5.240 -1.138 9.851 133 1HG2 ILE 16 HG21 ILE 16 -7.420 -4.439 11.342 134 2HG2 ILE 16 HG22 ILE 16 -6.839 -4.608 9.686 135 3HG2 ILE 16 HG23 ILE 16 -8.005 -3.347 10.087 136 1HD1 ILE 16 HD11 ILE 16 -3.998 -2.248 8.341 137 2HD1 ILE 16 HD12 ILE 16 -5.477 -2.800 7.555 138 3HD1 ILE 16 HD13 ILE 16 -4.739 -3.774 8.827 139 H PHE 17 HN PHE 17 -4.058 -2.807 12.831 140 HA PHE 17 HA PHE 17 -3.112 -0.357 13.988 141 1HB PHE 17 HB2 PHE 17 -1.845 -2.930 13.028 142 2HB PHE 17 HB1 PHE 17 -0.885 -1.649 13.763 143 HD1 PHE 17 HD1 PHE 17 -3.207 -4.371 14.353 144 HD2 PHE 17 HD2 PHE 17 -1.443 -0.866 16.105 145 HE1 PHE 17 HE1 PHE 17 -3.885 -5.154 16.606 146 HE2 PHE 17 HE2 PHE 17 -2.122 -1.651 18.357 147 HZ PHE 17 HZ PHE 17 -3.343 -3.794 18.607 148 H ILE 18 HN ILE 18 -0.970 0.653 13.131 149 HA ILE 18 HA ILE 18 -1.456 1.856 10.560 150 HB ILE 18 HB ILE 18 0.691 2.952 10.967 151 1HG1 ILE 18 HG12 ILE 18 1.066 0.906 13.179 152 2HG1 ILE 18 HG11 ILE 18 1.938 0.912 11.648 153 1HG2 ILE 18 HG21 ILE 18 -0.002 4.140 12.800 154 2HG2 ILE 18 HG22 ILE 18 -0.300 2.692 13.761 155 3HG2 ILE 18 HG23 ILE 18 -1.475 3.203 12.549 156 1HD1 ILE 18 HD11 ILE 18 2.587 3.353 12.292 157 2HD1 ILE 18 HD12 ILE 18 3.422 2.022 13.094 158 3HD1 ILE 18 HD13 ILE 18 2.121 2.875 13.925 159 H ARG 19 HN ARG 19 0.279 1.820 8.803 160 HA ARG 19 HA ARG 19 0.729 -0.942 7.967 161 1HB ARG 19 HB2 ARG 19 0.906 0.006 5.868 162 2HB ARG 19 HB1 ARG 19 0.043 1.307 6.678 163 1HG ARG 19 HG2 ARG 19 3.064 1.231 6.566 164 2HG ARG 19 HG1 ARG 19 2.101 1.959 5.286 165 1HD ARG 19 HD2 ARG 19 0.945 3.182 7.386 166 2HD ARG 19 HD1 ARG 19 2.565 2.923 8.066 167 HE ARG 19 HE ARG 19 3.489 4.077 6.056 168 1HH1 ARG 19 HH11 ARG 19 0.570 3.724 4.816 169 2HH1 ARG 19 HH12 ARG 19 0.134 5.395 4.691 170 1HH2 ARG 19 HH21 ARG 19 2.755 6.500 6.691 171 2HH2 ARG 19 HH22 ARG 19 1.377 6.974 5.754 172 HA PRO 20 HA PRO 20 4.874 -1.325 9.350 173 1HB PRO 20 HB2 PRO 20 5.877 -3.000 7.422 174 2HB PRO 20 HB1 PRO 20 4.779 -3.535 8.710 175 1HG PRO 20 HG2 PRO 20 4.180 -2.884 5.868 176 2HG PRO 20 HG1 PRO 20 3.534 -4.174 6.891 177 1HD PRO 20 HD2 PRO 20 2.168 -1.889 6.347 178 2HD PRO 20 HD1 PRO 20 1.966 -2.811 7.850 179 H ILE 21 HN ILE 21 7.165 -0.991 8.607 180 HA ILE 21 HA ILE 21 7.378 1.430 6.987 181 HB ILE 21 HB ILE 21 9.436 -0.314 8.385 182 1HG1 ILE 21 HG12 ILE 21 8.842 2.210 9.656 183 2HG1 ILE 21 HG11 ILE 21 7.355 1.293 9.434 184 1HG2 ILE 21 HG21 ILE 21 10.729 1.879 8.414 185 2HG2 ILE 21 HG22 ILE 21 9.558 2.490 7.246 186 3HG2 ILE 21 HG23 ILE 21 10.581 1.114 6.832 187 1HD1 ILE 21 HD11 ILE 21 8.190 0.544 11.519 188 2HD1 ILE 21 HD12 ILE 21 9.850 0.481 10.926 189 3HD1 ILE 21 HD13 ILE 21 8.674 -0.716 10.383 190 H GLY 22 HN GLY 22 9.098 1.580 5.287 191 1HA GLY 22 HA2 GLY 22 10.509 0.487 3.608 192 2HA GLY 22 HA1 GLY 22 9.498 -0.947 3.760 193 H CYS 23 HN CYS 23 7.041 -0.310 3.362 194 HA CYS 23 HA CYS 23 6.785 0.431 0.599 195 1HB CYS 23 HB2 CYS 23 4.998 -0.140 2.927 196 2HB CYS 23 HB1 CYS 23 4.271 0.535 1.478 197 H ASP 24 HN ASP 24 6.521 2.292 3.582 198 HA ASP 24 HA ASP 24 5.335 4.627 2.250 199 1HB ASP 24 HB2 ASP 24 5.260 3.661 4.748 200 2HB ASP 24 HB1 ASP 24 6.641 4.738 4.935 201 H VAL 25 HN VAL 25 8.280 3.386 1.821 202 HA VAL 25 HA VAL 25 9.599 6.041 1.608 203 HB VAL 25 HB VAL 25 10.930 3.492 2.596 204 1HG1 VAL 25 HG11 VAL 25 11.754 6.374 2.300 205 2HG1 VAL 25 HG12 VAL 25 12.607 4.919 1.783 206 3HG1 VAL 25 HG13 VAL 25 12.540 5.342 3.494 207 1HG2 VAL 25 HG21 VAL 25 9.635 5.760 4.122 208 2HG2 VAL 25 HG22 VAL 25 10.909 4.773 4.839 209 3HG2 VAL 25 HG23 VAL 25 9.393 4.026 4.333 210 H CYS 26 HN CYS 26 8.516 5.258 -0.585 211 HA CYS 26 HA CYS 26 9.454 3.228 -2.242 212 1HB CYS 26 HB2 CYS 26 8.633 6.092 -2.741 213 2HB CYS 26 HB1 CYS 26 8.968 4.989 -4.071 214 H TYR 27 HN TYR 27 11.219 6.086 -1.227 215 HA TYR 27 HA TYR 27 13.339 5.533 -3.255 216 1HB TYR 27 HB2 TYR 27 13.071 7.898 -1.386 217 2HB TYR 27 HB1 TYR 27 14.021 7.803 -2.864 218 HD1 TYR 27 HD1 TYR 27 10.936 8.847 -1.468 219 HD2 TYR 27 HD2 TYR 27 12.658 7.237 -5.060 220 HE1 TYR 27 HE1 TYR 27 8.991 9.667 -2.768 221 HE2 TYR 27 HE2 TYR 27 10.712 8.057 -6.360 222 HH TYR 27 HH TYR 27 8.182 8.608 -5.725 223 H GLY 28 HN GLY 28 15.158 4.505 -2.563 224 1HA GLY 28 HA2 GLY 28 17.047 4.474 -0.967 225 2HA GLY 28 HA1 GLY 28 15.878 4.685 0.331 226 H ILE 29 HN ILE 29 14.048 2.648 -1.063 227 HA ILE 29 HA ILE 29 15.257 0.305 0.238 228 HB ILE 29 HB ILE 29 13.063 -0.698 -0.113 229 1HG1 ILE 29 HG12 ILE 29 12.417 1.759 -1.776 230 2HG1 ILE 29 HG11 ILE 29 12.728 0.152 -2.434 231 1HG2 ILE 29 HG21 ILE 29 11.690 0.908 1.094 232 2HG2 ILE 29 HG22 ILE 29 12.755 2.227 0.609 233 3HG2 ILE 29 HG23 ILE 29 13.343 0.978 1.705 234 1HD1 ILE 29 HD11 ILE 29 10.351 1.164 -0.947 235 2HD1 ILE 29 HD12 ILE 29 10.838 -0.503 -0.641 236 3HD1 ILE 29 HD13 ILE 29 10.438 0.012 -2.280 237 HA PRO 30 HA PRO 30 16.690 -1.687 -3.381 238 1HB PRO 30 HB2 PRO 30 16.268 -4.314 -2.718 239 2HB PRO 30 HB1 PRO 30 17.565 -3.320 -2.022 240 1HG PRO 30 HG2 PRO 30 14.982 -4.150 -0.851 241 2HG PRO 30 HG1 PRO 30 16.534 -3.851 -0.065 242 1HD PRO 30 HD2 PRO 30 14.380 -2.106 -0.057 243 2HD PRO 30 HD1 PRO 30 16.061 -1.655 0.278 244 H SER 31 HN SER 31 16.008 -2.907 -5.270 245 HA SER 31 HA SER 31 13.355 -2.422 -6.164 246 1HB SER 31 HB2 SER 31 15.574 -2.945 -7.412 247 2HB SER 31 HB1 SER 31 15.129 -4.635 -7.195 248 HG SER 31 HG SER 31 13.339 -4.324 -8.414 249 H SER 32 HN SER 32 14.805 -5.395 -4.793 250 HA SER 32 HA SER 32 12.593 -7.144 -5.215 251 1HB SER 32 HB2 SER 32 15.005 -7.594 -4.398 252 2HB SER 32 HB1 SER 32 14.418 -7.150 -2.798 253 HG SER 32 HG SER 32 14.296 -9.427 -3.272 254 H THR 33 HN THR 33 13.360 -5.002 -2.461 255 HA THR 33 HA THR 33 10.994 -5.667 -0.929 256 HB THR 33 HB THR 33 12.810 -3.233 -0.973 257 HG1 THR 33 HG1 THR 33 13.781 -4.336 0.782 258 1HG2 THR 33 HG21 THR 33 11.029 -2.443 0.277 259 2HG2 THR 33 HG22 THR 33 11.935 -3.275 1.541 260 3HG2 THR 33 HG23 THR 33 10.541 -4.056 0.795 261 H ALA 34 HN ALA 34 11.812 -3.105 -3.266 262 HA ALA 34 HA ALA 34 9.367 -1.630 -3.088 263 1HB ALA 34 HB1 ALA 34 11.636 -1.956 -5.008 264 2HB ALA 34 HB2 ALA 34 11.051 -0.497 -4.208 265 3HB ALA 34 HB3 ALA 34 10.184 -1.147 -5.599 266 H ARG 35 HN ARG 35 10.330 -4.432 -5.074 267 HA ARG 35 HA ARG 35 8.019 -4.563 -6.757 268 1HB ARG 35 HB2 ARG 35 10.075 -5.818 -7.167 269 2HB ARG 35 HB1 ARG 35 9.896 -6.677 -5.641 270 1HG ARG 35 HG2 ARG 35 9.161 -8.098 -7.503 271 2HG ARG 35 HG1 ARG 35 7.792 -7.693 -6.470 272 1HD ARG 35 HD2 ARG 35 8.103 -5.667 -8.522 273 2HD ARG 35 HD1 ARG 35 7.972 -7.277 -9.257 274 HE ARG 35 HE ARG 35 5.944 -6.032 -7.467 275 1HH1 ARG 35 HH21 ARG 35 6.057 -8.911 -6.849 276 2HH1 ARG 35 HH22 ARG 35 4.972 -9.604 -8.006 277 1HH2 ARG 35 HH11 ARG 35 4.972 -6.807 -10.071 278 2HH2 ARG 35 HH12 ARG 35 4.362 -8.412 -9.844 279 H LEU 36 HN LEU 36 8.736 -6.076 -3.602 280 HA LEU 36 HA LEU 36 6.210 -7.439 -3.310 281 1HB LEU 36 HB2 LEU 36 8.650 -7.311 -2.012 282 2HB LEU 36 HB1 LEU 36 7.577 -6.513 -0.864 283 HG LEU 36 HG LEU 36 7.640 -8.908 -0.391 284 1HD1 LEU 36 HD11 LEU 36 5.462 -7.578 -0.241 285 2HD1 LEU 36 HD12 LEU 36 5.292 -9.331 -0.338 286 3HD1 LEU 36 HD13 LEU 36 5.007 -8.337 -1.766 287 1HD2 LEU 36 HD21 LEU 36 7.006 -10.570 -2.025 288 2HD2 LEU 36 HD22 LEU 36 8.249 -9.557 -2.758 289 3HD2 LEU 36 HD23 LEU 36 6.555 -9.327 -3.192 290 H CYS 37 HN CYS 37 7.353 -4.197 -2.398 291 HA CYS 37 HA CYS 37 5.056 -3.427 -0.832 292 1HB CYS 37 HB2 CYS 37 7.465 -2.224 -2.059 293 2HB CYS 37 HB1 CYS 37 6.111 -1.116 -1.863 294 H CYS 38 HN CYS 38 5.870 -3.162 -4.287 295 HA CYS 38 HA CYS 38 3.462 -1.628 -4.948 296 1HB CYS 38 HB2 CYS 38 5.523 -1.355 -6.206 297 2HB CYS 38 HB1 CYS 38 5.595 -3.080 -6.547 298 H PHE 39 HN PHE 39 4.503 -5.005 -5.045 299 HA PHE 39 HA PHE 39 2.291 -6.027 -6.584 300 1HB PHE 39 HB2 PHE 39 4.273 -7.303 -6.499 301 2HB PHE 39 HB1 PHE 39 4.407 -7.144 -4.751 302 HD1 PHE 39 HD1 PHE 39 3.571 -8.822 -3.341 303 HD2 PHE 39 HD2 PHE 39 2.216 -8.609 -7.412 304 HE1 PHE 39 HE1 PHE 39 2.347 -10.959 -3.047 305 HE2 PHE 39 HE2 PHE 39 0.993 -10.745 -7.117 306 HZ PHE 39 HZ PHE 39 1.058 -11.920 -4.934 307 H ARG 40 HN ARG 40 2.878 -5.802 -3.060 308 HA ARG 40 HA ARG 40 0.185 -6.950 -2.545 309 1HB ARG 40 HB2 ARG 40 2.776 -6.795 -1.222 310 2HB ARG 40 HB1 ARG 40 1.465 -6.357 -0.133 311 1HG ARG 40 HG2 ARG 40 0.587 -8.616 -1.626 312 2HG ARG 40 HG1 ARG 40 2.216 -8.971 -1.048 313 1HD ARG 40 HD2 ARG 40 1.568 -8.473 1.252 314 2HD ARG 40 HD1 ARG 40 -0.042 -7.952 0.716 315 HE ARG 40 HE ARG 40 0.292 -10.535 -0.332 316 1HH1 ARG 40 HH11 ARG 40 -1.888 -9.803 1.599 317 2HH1 ARG 40 HH12 ARG 40 -1.538 -10.832 2.947 318 1HH2 ARG 40 HH21 ARG 40 1.704 -11.534 1.906 319 2HH2 ARG 40 HH22 ARG 40 0.502 -11.816 3.121 320 H TYR 41 HN TYR 41 2.065 -4.075 -1.457 321 HA TYR 41 HA TYR 41 -0.352 -2.834 -0.377 322 1HB TYR 41 HB2 TYR 41 2.509 -1.919 -0.734 323 2HB TYR 41 HB1 TYR 41 1.277 -0.981 0.101 324 HD1 TYR 41 HD1 TYR 41 0.533 -1.558 2.307 325 HD2 TYR 41 HD2 TYR 41 3.236 -4.129 0.174 326 HE1 TYR 41 HE1 TYR 41 0.959 -2.836 4.388 327 HE2 TYR 41 HE2 TYR 41 3.658 -5.409 2.254 328 HH TYR 41 HH TYR 41 2.129 -5.767 4.533 329 H GLY 42 HN GLY 42 1.712 -2.372 -3.225 330 1HA GLY 42 HA2 GLY 42 0.850 -1.523 -5.314 331 2HA GLY 42 HA1 GLY 42 -0.453 -0.737 -4.431 332 H ASP 43 HN ASP 43 2.630 -0.326 -2.957 333 HA ASP 43 HA ASP 43 2.726 2.482 -3.979 334 1HB ASP 43 HB2 ASP 43 4.272 1.516 -1.598 335 2HB ASP 43 HB1 ASP 43 3.541 3.086 -1.878 336 H CYS 44 HN CYS 44 4.831 3.370 -4.484 337 HA CYS 44 HA CYS 44 6.987 3.326 -5.442 338 1HB CYS 44 HB2 CYS 44 7.251 0.610 -4.136 339 2HB CYS 44 HB1 CYS 44 8.530 1.762 -4.481 340 H CYS 45 HN CYS 45 4.784 2.411 -6.999 341 HA CYS 45 HA CYS 45 5.638 -0.046 -8.397 342 1HB CYS 45 HB2 CYS 45 3.328 1.901 -8.583 343 2HB CYS 45 HB1 CYS 45 3.533 0.590 -9.741 344 H HIS 46 HN HIS 46 4.787 3.269 -9.462 345 HA HIS 46 HA HIS 46 6.543 2.969 -11.830 346 1HB HIS 46 HB2 HIS 46 4.133 3.881 -11.775 347 2HB HIS 46 HB1 HIS 46 4.815 5.323 -11.025 348 HD1 HIS 46 HD1 HIS 46 4.195 6.728 -13.164 349 HD2 HIS 46 HD2 HIS 46 6.922 3.651 -13.865 350 HE1 HIS 46 HE1 HIS 46 5.194 7.161 -15.450 351 H LEU 47 HN LEU 47 8.510 2.984 -10.342 352 HA LEU 47 HA LEU 47 9.177 5.560 -9.059 353 1HB LEU 47 HB2 LEU 47 9.841 2.821 -8.769 354 2HB LEU 47 HB1 LEU 47 11.334 3.637 -9.232 355 HG LEU 47 HG LEU 47 10.369 5.403 -7.405 356 1HD1 LEU 47 HD11 LEU 47 9.634 3.948 -5.454 357 2HD1 LEU 47 HD12 LEU 47 9.412 2.640 -6.616 358 3HD1 LEU 47 HD13 LEU 47 8.452 4.114 -6.751 359 1HD2 LEU 47 HD21 LEU 47 11.991 4.412 -5.848 360 2HD2 LEU 47 HD22 LEU 47 12.637 4.382 -7.489 361 3HD2 LEU 47 HD23 LEU 47 11.983 2.909 -6.772 Start of MODEL 14 1 1H HIS 1 HT1 HIS 1 -43.395 5.019 1.911 2 2H HIS 1 HT2 HIS 1 -41.985 5.962 1.800 3 3H HIS 1 HT3 HIS 1 -43.094 6.233 3.056 4 HA HIS 1 HA HIS 1 -42.588 4.134 4.073 5 1HB HIS 1 HB2 HIS 1 -41.122 2.560 2.951 6 2HB HIS 1 HB1 HIS 1 -42.353 3.058 1.794 7 HD1 HIS 1 HD1 HIS 1 -38.698 3.558 2.628 8 HD2 HIS 1 HD2 HIS 1 -41.375 4.504 -0.428 9 HE1 HIS 1 HE1 HIS 1 -37.310 4.458 0.712 10 H SER 2 HN SER 2 -40.552 3.731 5.320 11 HA SER 2 HA SER 2 -39.084 6.220 5.790 12 1HB SER 2 HB2 SER 2 -39.884 4.479 7.492 13 2HB SER 2 HB1 SER 2 -38.568 3.456 6.923 14 HG SER 2 HG SER 2 -38.256 5.035 8.792 15 H SER 3 HN SER 3 -36.954 6.654 5.173 16 HA SER 3 HA SER 3 -35.588 4.577 3.491 17 1HB SER 3 HB2 SER 3 -36.508 7.103 2.828 18 2HB SER 3 HB1 SER 3 -34.804 7.393 3.165 19 HG SER 3 HG SER 3 -35.180 6.775 0.985 20 H GLY 4 HN GLY 4 -33.692 3.842 4.367 21 1HA GLY 4 HA2 GLY 4 -31.611 5.428 5.404 22 2HA GLY 4 HA1 GLY 4 -32.579 4.921 6.788 23 H TYR 5 HN TYR 5 -32.390 2.824 7.526 24 HA TYR 5 HA TYR 5 -31.554 0.637 7.754 25 1HB TYR 5 HB2 TYR 5 -32.553 0.820 5.258 26 2HB TYR 5 HB1 TYR 5 -30.863 0.514 4.854 27 HD1 TYR 5 HD1 TYR 5 -33.958 -0.960 5.878 28 HD2 TYR 5 HD2 TYR 5 -29.695 -1.466 6.068 29 HE1 TYR 5 HE1 TYR 5 -34.266 -3.362 6.411 30 HE2 TYR 5 HE2 TYR 5 -30.004 -3.868 6.600 31 HH TYR 5 HH TYR 5 -32.358 -5.196 7.792 32 H THR 6 HN THR 6 -29.662 0.934 8.919 33 HA THR 6 HA THR 6 -27.237 2.103 7.870 34 HB THR 6 HB THR 6 -27.670 0.212 10.210 35 HG1 THR 6 HG1 THR 6 -27.850 3.039 10.025 36 1HG2 THR 6 HG21 THR 6 -25.734 1.682 11.111 37 2HG2 THR 6 HG22 THR 6 -25.474 2.118 9.422 38 3HG2 THR 6 HG23 THR 6 -25.344 0.434 9.929 39 H ARG 7 HN ARG 7 -26.385 1.073 6.055 40 HA ARG 7 HA ARG 7 -26.312 -1.836 5.787 41 1HB ARG 7 HB2 ARG 7 -26.435 0.168 4.044 42 2HB ARG 7 HB1 ARG 7 -24.677 0.061 4.136 43 1HG ARG 7 HG2 ARG 7 -24.637 -2.130 3.296 44 2HG ARG 7 HG1 ARG 7 -26.325 -2.423 3.713 45 1HD ARG 7 HD2 ARG 7 -25.733 -0.234 1.749 46 2HD ARG 7 HD1 ARG 7 -25.638 -1.916 1.191 47 HE ARG 7 HE ARG 7 -28.053 -0.956 2.674 48 1HH1 ARG 7 HH11 ARG 7 -27.613 -3.781 1.523 49 2HH1 ARG 7 HH12 ARG 7 -28.591 -3.700 0.096 50 1HH2 ARG 7 HH21 ARG 7 -28.847 -0.232 0.156 51 2HH2 ARG 7 HH22 ARG 7 -29.293 -1.681 -0.682 52 HA PRO 8 HA PRO 8 -22.445 -2.354 7.899 53 1HB PRO 8 HB2 PRO 8 -21.828 -4.856 6.981 54 2HB PRO 8 HB1 PRO 8 -23.069 -4.557 8.213 55 1HG PRO 8 HG2 PRO 8 -23.381 -5.104 5.308 56 2HG PRO 8 HG1 PRO 8 -24.374 -5.639 6.671 57 1HD PRO 8 HD2 PRO 8 -25.057 -3.586 4.997 58 2HD PRO 8 HD1 PRO 8 -25.625 -3.729 6.675 59 H LEU 9 HN LEU 9 -20.256 -2.036 7.398 60 HA LEU 9 HA LEU 9 -19.563 -1.164 4.725 61 1HB LEU 9 HB2 LEU 9 -18.388 -1.326 7.420 62 2HB LEU 9 HB1 LEU 9 -17.201 -1.511 6.129 63 HG LEU 9 HG LEU 9 -19.244 0.717 6.110 64 1HD1 LEU 9 HD11 LEU 9 -16.422 0.798 7.224 65 2HD1 LEU 9 HD12 LEU 9 -17.895 0.855 8.192 66 3HD1 LEU 9 HD13 LEU 9 -17.520 2.171 7.080 67 1HD2 LEU 9 HD21 LEU 9 -18.124 0.221 3.983 68 2HD2 LEU 9 HD22 LEU 9 -16.549 0.306 4.772 69 3HD2 LEU 9 HD23 LEU 9 -17.539 1.757 4.621 70 H ARG 10 HN ARG 10 -18.966 -2.481 3.048 71 HA ARG 10 HA ARG 10 -17.620 -5.080 3.672 72 1HB ARG 10 HB2 ARG 10 -20.188 -4.916 2.944 73 2HB ARG 10 HB1 ARG 10 -19.470 -4.813 1.336 74 1HG ARG 10 HG2 ARG 10 -18.483 -6.937 1.499 75 2HG ARG 10 HG1 ARG 10 -18.577 -6.950 3.260 76 1HD ARG 10 HD2 ARG 10 -20.382 -8.331 2.803 77 2HD ARG 10 HD1 ARG 10 -21.216 -6.769 2.696 78 HE ARG 10 HE ARG 10 -20.962 -6.859 0.257 79 1HH1 ARG 10 HH21 ARG 10 -22.171 -9.553 1.166 80 2HH1 ARG 10 HH22 ARG 10 -21.276 -10.652 0.172 81 1HH2 ARG 10 HH11 ARG 10 -18.844 -8.316 -0.673 82 2HH2 ARG 10 HH12 ARG 10 -19.383 -9.950 -0.872 83 H LYS 11 HN LYS 11 -15.876 -5.551 2.329 84 HA LYS 11 HA LYS 11 -14.771 -3.437 0.691 85 1HB LYS 11 HB2 LYS 11 -12.953 -5.053 0.368 86 2HB LYS 11 HB1 LYS 11 -13.462 -5.059 2.055 87 1HG LYS 11 HG2 LYS 11 -15.063 -6.959 0.613 88 2HG LYS 11 HG1 LYS 11 -13.366 -7.263 0.251 89 1HD LYS 11 HD2 LYS 11 -13.017 -8.120 2.303 90 2HD LYS 11 HD1 LYS 11 -13.706 -6.690 3.070 91 1HE LYS 11 HE2 LYS 11 -15.396 -8.079 3.723 92 2HE LYS 11 HE1 LYS 11 -15.947 -7.977 2.040 93 1HZ LYS 11 HZ1 LYS 11 -14.063 -9.972 3.184 94 2HZ LYS 11 HZ2 LYS 11 -14.370 -9.805 1.521 95 3HZ LYS 11 HZ3 LYS 11 -15.617 -10.275 2.576 96 HA PRO 12 HA PRO 12 -16.673 -4.604 -3.129 97 1HB PRO 12 HB2 PRO 12 -15.080 -3.140 -4.804 98 2HB PRO 12 HB1 PRO 12 -16.321 -2.406 -3.771 99 1HG PRO 12 HG2 PRO 12 -13.380 -2.499 -3.419 100 2HG PRO 12 HG1 PRO 12 -14.534 -1.234 -2.974 101 1HD PRO 12 HD2 PRO 12 -13.419 -3.060 -1.219 102 2HD PRO 12 HD1 PRO 12 -14.910 -2.140 -0.930 103 H SER 13 HN SER 13 -15.349 -4.934 -5.564 104 HA SER 13 HA SER 13 -13.416 -7.157 -5.015 105 1HB SER 13 HB2 SER 13 -15.938 -7.363 -6.001 106 2HB SER 13 HB1 SER 13 -15.045 -7.136 -7.500 107 HG SER 13 HG SER 13 -14.690 -9.126 -5.510 108 H ARG 14 HN ARG 14 -12.462 -4.543 -5.377 109 HA ARG 14 HA ARG 14 -11.822 -3.996 -8.165 110 1HB ARG 14 HB2 ARG 14 -11.324 -2.869 -5.469 111 2HB ARG 14 HB1 ARG 14 -10.076 -2.521 -6.665 112 1HG ARG 14 HG2 ARG 14 -11.450 -0.801 -7.247 113 2HG ARG 14 HG1 ARG 14 -12.329 -2.048 -8.132 114 1HD ARG 14 HD2 ARG 14 -14.057 -2.110 -6.598 115 2HD ARG 14 HD1 ARG 14 -12.998 -1.699 -5.235 116 HE ARG 14 HE ARG 14 -13.224 0.457 -7.199 117 1HH1 ARG 14 HH11 ARG 14 -12.871 0.753 -4.195 118 2HH1 ARG 14 HH12 ARG 14 -14.415 1.384 -3.730 119 1HH2 ARG 14 HH21 ARG 14 -15.970 0.497 -6.710 120 2HH2 ARG 14 HH22 ARG 14 -16.176 1.240 -5.159 121 HA PRO 15 HA PRO 15 -8.160 -6.417 -8.547 122 1HB PRO 15 HB2 PRO 15 -6.660 -4.849 -10.209 123 2HB PRO 15 HB1 PRO 15 -8.089 -5.747 -10.757 124 1HG PRO 15 HG2 PRO 15 -7.799 -2.863 -10.112 125 2HG PRO 15 HG1 PRO 15 -8.767 -3.649 -11.367 126 1HD PRO 15 HD2 PRO 15 -9.782 -2.689 -9.004 127 2HD PRO 15 HD1 PRO 15 -10.538 -3.974 -9.972 128 H ILE 16 HN ILE 16 -5.739 -6.312 -8.221 129 HA ILE 16 HA ILE 16 -5.013 -5.178 -5.722 130 HB ILE 16 HB ILE 16 -3.325 -6.037 -8.099 131 1HG1 ILE 16 HG12 ILE 16 -3.412 -7.857 -5.850 132 2HG1 ILE 16 HG11 ILE 16 -5.050 -7.499 -6.395 133 1HG2 ILE 16 HG21 ILE 16 -2.626 -5.556 -5.191 134 2HG2 ILE 16 HG22 ILE 16 -1.914 -4.786 -6.608 135 3HG2 ILE 16 HG23 ILE 16 -1.607 -6.492 -6.284 136 1HD1 ILE 16 HD11 ILE 16 -3.711 -9.447 -7.538 137 2HD1 ILE 16 HD12 ILE 16 -2.921 -8.138 -8.417 138 3HD1 ILE 16 HD13 ILE 16 -4.668 -8.352 -8.536 139 H PHE 17 HN PHE 17 -3.852 -3.286 -5.169 140 HA PHE 17 HA PHE 17 -4.181 -0.976 -6.883 141 1HB PHE 17 HB2 PHE 17 -4.210 -1.124 -4.337 142 2HB PHE 17 HB1 PHE 17 -2.455 -1.277 -4.409 143 HD1 PHE 17 HD1 PHE 17 -5.279 0.924 -5.502 144 HD2 PHE 17 HD2 PHE 17 -1.093 0.642 -4.574 145 HE1 PHE 17 HE1 PHE 17 -5.070 3.386 -5.694 146 HE2 PHE 17 HE2 PHE 17 -0.886 3.105 -4.766 147 HZ PHE 17 HZ PHE 17 -2.875 4.478 -5.326 148 H ILE 18 HN ILE 18 -2.360 0.417 -7.573 149 HA ILE 18 HA ILE 18 -0.270 -1.085 -8.950 150 HB ILE 18 HB ILE 18 0.315 1.147 -9.814 151 1HG1 ILE 18 HG12 ILE 18 -1.849 2.470 -8.251 152 2HG1 ILE 18 HG11 ILE 18 -0.359 2.112 -7.380 153 1HG2 ILE 18 HG21 ILE 18 -1.766 -0.129 -10.598 154 2HG2 ILE 18 HG22 ILE 18 -1.721 1.596 -10.958 155 3HG2 ILE 18 HG23 ILE 18 -2.697 1.002 -9.616 156 1HD1 ILE 18 HD11 ILE 18 -0.393 3.526 -10.056 157 2HD1 ILE 18 HD12 ILE 18 0.958 3.381 -8.930 158 3HD1 ILE 18 HD13 ILE 18 -0.431 4.387 -8.517 159 H ARG 19 HN ARG 19 2.000 0.294 -8.809 160 HA ARG 19 HA ARG 19 3.353 -0.523 -6.498 161 1HB ARG 19 HB2 ARG 19 4.726 0.021 -8.262 162 2HB ARG 19 HB1 ARG 19 3.755 1.410 -8.725 163 1HG ARG 19 HG2 ARG 19 4.917 1.904 -6.134 164 2HG ARG 19 HG1 ARG 19 6.178 1.402 -7.255 165 1HD ARG 19 HD2 ARG 19 4.260 3.302 -8.439 166 2HD ARG 19 HD1 ARG 19 5.200 3.971 -7.093 167 HE ARG 19 HE ARG 19 6.615 2.459 -9.243 168 1HH1 ARG 19 HH11 ARG 19 5.755 5.394 -9.760 169 2HH1 ARG 19 HH12 ARG 19 7.226 6.221 -9.368 170 1HH2 ARG 19 HH21 ARG 19 8.635 3.493 -7.740 171 2HH2 ARG 19 HH22 ARG 19 8.862 5.141 -8.221 172 HA PRO 20 HA PRO 20 1.584 2.405 -3.611 173 1HB PRO 20 HB2 PRO 20 2.778 1.302 -1.406 174 2HB PRO 20 HB1 PRO 20 1.320 0.628 -2.164 175 1HG PRO 20 HG2 PRO 20 4.146 -0.259 -2.379 176 2HG PRO 20 HG1 PRO 20 2.662 -1.217 -2.328 177 1HD PRO 20 HD2 PRO 20 4.055 -0.682 -4.627 178 2HD PRO 20 HD1 PRO 20 2.321 -1.041 -4.574 179 H ILE 21 HN ILE 21 2.562 3.858 -1.906 180 HA ILE 21 HA ILE 21 4.972 5.143 -2.909 181 HB ILE 21 HB ILE 21 2.809 5.593 -0.909 182 1HG1 ILE 21 HG12 ILE 21 2.807 6.425 -3.277 183 2HG1 ILE 21 HG11 ILE 21 2.633 7.695 -2.073 184 1HG2 ILE 21 HG21 ILE 21 4.805 6.024 0.470 185 2HG2 ILE 21 HG22 ILE 21 3.973 7.530 0.086 186 3HG2 ILE 21 HG23 ILE 21 5.445 7.092 -0.780 187 1HD1 ILE 21 HD11 ILE 21 5.374 6.969 -3.068 188 2HD1 ILE 21 HD12 ILE 21 4.802 8.502 -2.411 189 3HD1 ILE 21 HD13 ILE 21 4.341 8.015 -4.042 190 H GLY 22 HN GLY 22 6.751 5.735 -1.367 191 1HA GLY 22 HA2 GLY 22 8.014 5.217 0.686 192 2HA GLY 22 HA1 GLY 22 7.314 3.601 0.640 193 H CYS 23 HN CYS 23 7.735 2.579 -1.698 194 HA CYS 23 HA CYS 23 10.622 2.239 -1.932 195 1HB CYS 23 HB2 CYS 23 8.153 1.233 -3.335 196 2HB CYS 23 HB1 CYS 23 9.746 0.817 -3.937 197 H ASP 24 HN ASP 24 8.297 4.347 -3.377 198 HA ASP 24 HA ASP 24 9.639 4.767 -5.920 199 1HB ASP 24 HB2 ASP 24 7.686 6.565 -4.457 200 2HB ASP 24 HB1 ASP 24 7.948 6.471 -6.192 201 H VAL 25 HN VAL 25 10.520 5.732 -2.780 202 HA VAL 25 HA VAL 25 12.245 7.880 -3.879 203 HB VAL 25 HB VAL 25 10.555 8.177 -1.371 204 1HG1 VAL 25 HG11 VAL 25 11.567 10.191 -1.115 205 2HG1 VAL 25 HG12 VAL 25 11.477 10.553 -2.839 206 3HG1 VAL 25 HG13 VAL 25 12.792 9.558 -2.214 207 1HG2 VAL 25 HG21 VAL 25 9.208 9.788 -2.815 208 2HG2 VAL 25 HG22 VAL 25 8.991 8.082 -3.207 209 3HG2 VAL 25 HG23 VAL 25 10.024 9.094 -4.216 210 H CYS 26 HN CYS 26 13.683 5.940 -3.548 211 HA CYS 26 HA CYS 26 14.344 4.645 -1.179 212 1HB CYS 26 HB2 CYS 26 15.900 5.655 -3.548 213 2HB CYS 26 HB1 CYS 26 16.744 4.823 -2.247 214 H TYR 27 HN TYR 27 15.007 7.996 -2.023 215 HA TYR 27 HA TYR 27 16.641 8.304 0.461 216 1HB TYR 27 HB2 TYR 27 16.308 10.012 -2.020 217 2HB TYR 27 HB1 TYR 27 17.335 10.438 -0.656 218 HD1 TYR 27 HD1 TYR 27 16.935 8.248 -3.571 219 HD2 TYR 27 HD2 TYR 27 19.356 9.117 -0.130 220 HE1 TYR 27 HE1 TYR 27 18.763 6.859 -4.506 221 HE2 TYR 27 HE2 TYR 27 21.184 7.728 -1.066 222 HH TYR 27 HH TYR 27 21.776 7.021 -3.728 223 H GLY 28 HN GLY 28 15.722 9.364 2.150 224 1HA GLY 28 HA2 GLY 28 14.472 11.350 2.953 225 2HA GLY 28 HA1 GLY 28 13.342 11.096 1.626 226 H ILE 29 HN ILE 29 13.363 8.120 2.083 227 HA ILE 29 HA ILE 29 11.235 8.079 4.089 228 HB ILE 29 HB ILE 29 11.028 5.730 3.403 229 1HG1 ILE 29 HG12 ILE 29 13.540 6.190 1.762 230 2HG1 ILE 29 HG11 ILE 29 13.499 5.296 3.281 231 1HG2 ILE 29 HG21 ILE 29 10.098 7.488 1.933 232 2HG2 ILE 29 HG22 ILE 29 10.621 6.080 1.010 233 3HG2 ILE 29 HG23 ILE 29 11.617 7.535 1.040 234 1HD1 ILE 29 HD11 ILE 29 12.721 3.449 2.253 235 2HD1 ILE 29 HD12 ILE 29 13.017 4.261 0.717 236 3HD1 ILE 29 HD13 ILE 29 11.428 4.359 1.474 237 HA PRO 30 HA PRO 30 13.559 6.722 7.538 238 1HB PRO 30 HB2 PRO 30 11.813 4.974 8.728 239 2HB PRO 30 HB1 PRO 30 11.622 6.738 8.769 240 1HG PRO 30 HG2 PRO 30 10.211 4.721 7.133 241 2HG PRO 30 HG1 PRO 30 9.633 6.260 7.774 242 1HD PRO 30 HD2 PRO 30 10.391 5.818 5.149 243 2HD PRO 30 HD1 PRO 30 10.297 7.408 5.928 244 H SER 31 HN SER 31 14.776 4.934 8.410 245 HA SER 31 HA SER 31 15.778 3.056 6.537 246 1HB SER 31 HB2 SER 31 16.662 3.973 8.821 247 2HB SER 31 HB1 SER 31 15.800 2.603 9.514 248 HG SER 31 HG SER 31 17.740 1.769 9.043 249 H SER 32 HN SER 32 13.262 2.645 9.048 250 HA SER 32 HA SER 32 12.932 -0.182 8.785 251 1HB SER 32 HB2 SER 32 11.996 1.564 10.492 252 2HB SER 32 HB1 SER 32 10.684 1.758 9.333 253 HG SER 32 HG SER 32 10.522 0.077 11.087 254 H THR 33 HN THR 33 11.265 2.520 7.128 255 HA THR 33 HA THR 33 9.617 0.836 5.448 256 HB THR 33 HB THR 33 10.657 3.674 5.131 257 HG1 THR 33 HG1 THR 33 8.095 2.835 5.980 258 1HG2 THR 33 HG21 THR 33 8.771 2.014 3.529 259 2HG2 THR 33 HG22 THR 33 9.842 3.315 3.012 260 3HG2 THR 33 HG23 THR 33 8.317 3.695 3.813 261 H ALA 34 HN ALA 34 12.790 2.400 5.044 262 HA ALA 34 HA ALA 34 13.267 1.649 2.327 263 1HB ALA 34 HB1 ALA 34 15.612 2.159 2.932 264 2HB ALA 34 HB2 ALA 34 15.187 2.079 4.642 265 3HB ALA 34 HB3 ALA 34 14.517 3.356 3.626 266 H ARG 35 HN ARG 35 13.889 -0.041 5.404 267 HA ARG 35 HA ARG 35 15.397 -2.235 4.324 268 1HB ARG 35 HB2 ARG 35 15.177 -1.562 6.740 269 2HB ARG 35 HB1 ARG 35 13.518 -2.159 6.713 270 1HG ARG 35 HG2 ARG 35 14.709 -3.995 7.559 271 2HG ARG 35 HG1 ARG 35 14.588 -4.376 5.841 272 1HD ARG 35 HD2 ARG 35 16.853 -3.380 5.487 273 2HD ARG 35 HD1 ARG 35 16.978 -3.119 7.238 274 HE ARG 35 HE ARG 35 16.321 -5.868 6.331 275 1HH1 ARG 35 HH11 ARG 35 17.229 -5.422 9.095 276 2HH1 ARG 35 HH12 ARG 35 18.916 -5.806 9.024 277 1HH2 ARG 35 HH21 ARG 35 19.088 -5.572 5.559 278 2HH2 ARG 35 HH22 ARG 35 19.974 -5.892 7.013 279 H LEU 36 HN LEU 36 11.905 -1.801 4.935 280 HA LEU 36 HA LEU 36 11.092 -4.414 4.021 281 1HB LEU 36 HB2 LEU 36 9.953 -2.239 5.272 282 2HB LEU 36 HB1 LEU 36 9.227 -2.145 3.669 283 HG LEU 36 HG LEU 36 7.819 -3.510 5.130 284 1HD1 LEU 36 HD11 LEU 36 8.187 -4.135 2.685 285 2HD1 LEU 36 HD12 LEU 36 7.585 -5.427 3.722 286 3HD1 LEU 36 HD13 LEU 36 9.287 -5.385 3.264 287 1HD2 LEU 36 HD21 LEU 36 9.727 -4.203 6.641 288 2HD2 LEU 36 HD22 LEU 36 10.193 -5.374 5.408 289 3HD2 LEU 36 HD23 LEU 36 8.628 -5.512 6.208 290 H CYS 37 HN CYS 37 11.499 -1.274 2.395 291 HA CYS 37 HA CYS 37 10.354 -2.009 -0.136 292 1HB CYS 37 HB2 CYS 37 12.028 0.134 1.042 293 2HB CYS 37 HB1 CYS 37 12.221 -0.091 -0.694 294 H CYS 38 HN CYS 38 13.573 -2.484 1.265 295 HA CYS 38 HA CYS 38 14.726 -3.378 -1.302 296 1HB CYS 38 HB2 CYS 38 16.088 -2.092 0.233 297 2HB CYS 38 HB1 CYS 38 15.708 -3.181 1.562 298 H PHE 39 HN PHE 39 13.613 -4.754 1.767 299 HA PHE 39 HA PHE 39 14.490 -7.460 1.266 300 1HB PHE 39 HB2 PHE 39 14.130 -6.784 3.507 301 2HB PHE 39 HB1 PHE 39 12.562 -6.076 3.130 302 HD1 PHE 39 HD1 PHE 39 10.610 -7.306 3.526 303 HD2 PHE 39 HD2 PHE 39 14.355 -9.369 3.105 304 HE1 PHE 39 HE1 PHE 39 9.502 -9.443 4.121 305 HE2 PHE 39 HE2 PHE 39 13.245 -11.506 3.699 306 HZ PHE 39 HZ PHE 39 10.818 -11.543 4.207 307 H ARG 40 HN ARG 40 11.410 -5.751 0.714 308 HA ARG 40 HA ARG 40 10.232 -8.242 -0.409 309 1HB ARG 40 HB2 ARG 40 9.289 -5.688 0.781 310 2HB ARG 40 HB1 ARG 40 8.255 -6.399 -0.454 311 1HG ARG 40 HG2 ARG 40 8.930 -8.595 1.072 312 2HG ARG 40 HG1 ARG 40 8.801 -7.320 2.283 313 1HD ARG 40 HD2 ARG 40 6.591 -8.235 2.072 314 2HD ARG 40 HD1 ARG 40 6.555 -6.712 1.162 315 HE ARG 40 HE ARG 40 7.344 -9.081 -0.405 316 1HH1 ARG 40 HH21 ARG 40 6.173 -6.646 -1.654 317 2HH1 ARG 40 HH22 ARG 40 4.540 -7.130 -1.966 318 1HH2 ARG 40 HH11 ARG 40 4.656 -9.852 0.192 319 2HH2 ARG 40 HH12 ARG 40 3.678 -8.949 -0.916 320 H TYR 41 HN TYR 41 10.423 -4.772 -1.364 321 HA TYR 41 HA TYR 41 9.723 -5.402 -4.130 322 1HB TYR 41 HB2 TYR 41 10.648 -2.923 -2.670 323 2HB TYR 41 HB1 TYR 41 10.229 -2.922 -4.379 324 HD1 TYR 41 HD1 TYR 41 7.941 -3.032 -5.106 325 HD2 TYR 41 HD2 TYR 41 8.936 -3.464 -0.949 326 HE1 TYR 41 HE1 TYR 41 5.545 -2.796 -4.508 327 HE2 TYR 41 HE2 TYR 41 6.540 -3.237 -0.352 328 HH TYR 41 HH TYR 41 4.116 -3.700 -2.264 329 H GLY 42 HN GLY 42 12.713 -4.576 -2.396 330 1HA GLY 42 HA2 GLY 42 14.864 -5.429 -3.105 331 2HA GLY 42 HA1 GLY 42 14.245 -5.556 -4.747 332 H ASP 43 HN ASP 43 13.367 -2.595 -3.253 333 HA ASP 43 HA ASP 43 15.508 -1.193 -4.799 334 1HB ASP 43 HB2 ASP 43 12.891 -0.043 -3.811 335 2HB ASP 43 HB1 ASP 43 13.914 0.558 -5.104 336 H CYS 44 HN CYS 44 16.367 0.790 -3.822 337 HA CYS 44 HA CYS 44 17.314 2.027 -2.045 338 1HB CYS 44 HB2 CYS 44 15.104 0.881 -0.332 339 2HB CYS 44 HB1 CYS 44 15.886 2.443 -0.177 340 H CYS 45 HN CYS 45 18.297 -0.603 -2.578 341 HA CYS 45 HA CYS 45 18.687 -1.939 0.029 342 1HB CYS 45 HB2 CYS 45 19.470 -2.467 -2.847 343 2HB CYS 45 HB1 CYS 45 20.025 -3.490 -1.525 344 H HIS 46 HN HIS 46 20.876 -0.805 -2.573 345 HA HIS 46 HA HIS 46 23.079 -0.514 -0.621 346 1HB HIS 46 HB2 HIS 46 22.733 -0.468 -3.612 347 2HB HIS 46 HB1 HIS 46 24.214 0.169 -2.898 348 HD1 HIS 46 HD1 HIS 46 25.574 -1.546 -1.325 349 HD2 HIS 46 HD2 HIS 46 22.624 -3.253 -3.726 350 HE1 HIS 46 HE1 HIS 46 26.037 -4.037 -1.369 351 H LEU 47 HN LEU 47 21.694 1.301 0.427 352 HA LEU 47 HA LEU 47 21.809 3.886 -1.041 353 1HB LEU 47 HB2 LEU 47 19.915 2.700 0.525 354 2HB LEU 47 HB1 LEU 47 20.739 3.701 1.721 355 HG LEU 47 HG LEU 47 20.501 5.423 -0.423 356 1HD1 LEU 47 HD11 LEU 47 19.057 3.828 -1.619 357 2HD1 LEU 47 HD12 LEU 47 18.137 5.253 -1.134 358 3HD1 LEU 47 HD13 LEU 47 17.977 3.749 -0.225 359 1HD2 LEU 47 HD21 LEU 47 20.022 6.245 1.721 360 2HD2 LEU 47 HD22 LEU 47 18.888 4.941 2.073 361 3HD2 LEU 47 HD23 LEU 47 18.428 6.233 0.965 Start of MODEL 15 1 1H HIS 1 HT1 HIS 1 -25.165 -4.999 12.128 2 2H HIS 1 HT2 HIS 1 -25.073 -3.925 10.815 3 3H HIS 1 HT3 HIS 1 -26.044 -3.548 12.156 4 HA HIS 1 HA HIS 1 -24.064 -2.240 12.334 5 1HB HIS 1 HB2 HIS 1 -25.155 -3.521 14.293 6 2HB HIS 1 HB1 HIS 1 -23.786 -4.628 14.174 7 HD1 HIS 1 HD1 HIS 1 -21.490 -3.781 14.956 8 HD2 HIS 1 HD2 HIS 1 -24.459 -0.861 15.147 9 HE1 HIS 1 HE1 HIS 1 -20.505 -1.841 16.251 10 H SER 2 HN SER 2 -21.775 -2.090 12.148 11 HA SER 2 HA SER 2 -20.298 -4.557 11.329 12 1HB SER 2 HB2 SER 2 -20.977 -2.135 9.770 13 2HB SER 2 HB1 SER 2 -19.293 -2.639 9.652 14 HG SER 2 HG SER 2 -19.908 -4.289 8.510 15 H SER 3 HN SER 3 -18.059 -4.486 11.846 16 HA SER 3 HA SER 3 -17.095 -2.046 13.290 17 1HB SER 3 HB2 SER 3 -17.877 -4.422 14.458 18 2HB SER 3 HB1 SER 3 -16.141 -4.655 14.278 19 HG SER 3 HG SER 3 -17.571 -2.826 15.816 20 H GLY 4 HN GLY 4 -15.796 -1.457 11.465 21 1HA GLY 4 HA2 GLY 4 -13.184 -1.999 11.253 22 2HA GLY 4 HA1 GLY 4 -13.840 -3.419 10.439 23 H TYR 5 HN TYR 5 -12.794 -2.659 8.459 24 HA TYR 5 HA TYR 5 -13.932 -0.185 7.245 25 1HB TYR 5 HB2 TYR 5 -11.401 -1.259 7.376 26 2HB TYR 5 HB1 TYR 5 -11.932 -1.786 5.779 27 HD1 TYR 5 HD1 TYR 5 -11.350 1.159 7.950 28 HD2 TYR 5 HD2 TYR 5 -12.294 -0.212 3.990 29 HE1 TYR 5 HE1 TYR 5 -10.956 3.442 7.067 30 HE2 TYR 5 HE2 TYR 5 -11.898 2.071 3.106 31 HH TYR 5 HH TYR 5 -12.029 4.538 4.270 32 H THR 6 HN THR 6 -14.957 -0.262 5.175 33 HA THR 6 HA THR 6 -15.933 -2.976 4.346 34 HB THR 6 HB THR 6 -17.286 -0.259 4.204 35 HG1 THR 6 HG1 THR 6 -17.674 -0.757 6.205 36 1HG2 THR 6 HG21 THR 6 -18.283 -3.041 3.528 37 2HG2 THR 6 HG22 THR 6 -18.006 -1.726 2.386 38 3HG2 THR 6 HG23 THR 6 -19.291 -1.596 3.587 39 H ARG 7 HN ARG 7 -15.631 -3.503 2.199 40 HA ARG 7 HA ARG 7 -14.031 -1.723 0.517 41 1HB ARG 7 HB2 ARG 7 -14.043 -3.667 -0.997 42 2HB ARG 7 HB1 ARG 7 -13.704 -4.183 0.654 43 1HG ARG 7 HG2 ARG 7 -16.548 -4.192 0.278 44 2HG ARG 7 HG1 ARG 7 -15.807 -5.064 -1.064 45 1HD ARG 7 HD2 ARG 7 -14.354 -6.134 0.920 46 2HD ARG 7 HD1 ARG 7 -15.810 -5.728 1.850 47 HE ARG 7 HE ARG 7 -17.107 -6.976 0.053 48 1HH1 ARG 7 HH11 ARG 7 -15.662 -8.955 1.732 49 2HH1 ARG 7 HH12 ARG 7 -14.827 -9.914 0.557 50 1HH2 ARG 7 HH21 ARG 7 -15.200 -7.577 -1.991 51 2HH2 ARG 7 HH22 ARG 7 -14.566 -9.131 -1.564 52 HA PRO 8 HA PRO 8 -17.404 0.132 -1.648 53 1HB PRO 8 HB2 PRO 8 -16.147 0.754 -3.999 54 2HB PRO 8 HB1 PRO 8 -15.869 1.645 -2.489 55 1HG PRO 8 HG2 PRO 8 -14.211 -0.470 -3.771 56 2HG PRO 8 HG1 PRO 8 -13.708 1.007 -2.933 57 1HD PRO 8 HD2 PRO 8 -13.630 -1.461 -1.788 58 2HD PRO 8 HD1 PRO 8 -13.853 0.039 -0.862 59 H LEU 9 HN LEU 9 -18.797 -0.229 -3.536 60 HA LEU 9 HA LEU 9 -19.183 -2.994 -4.208 61 1HB LEU 9 HB2 LEU 9 -20.681 -0.752 -4.241 62 2HB LEU 9 HB1 LEU 9 -20.264 -0.827 -5.952 63 HG LEU 9 HG LEU 9 -20.994 -3.459 -5.005 64 1HD1 LEU 9 HD11 LEU 9 -22.318 -2.260 -3.319 65 2HD1 LEU 9 HD12 LEU 9 -23.381 -2.982 -4.526 66 3HD1 LEU 9 HD13 LEU 9 -23.035 -1.254 -4.578 67 1HD2 LEU 9 HD21 LEU 9 -22.379 -1.574 -6.941 68 2HD2 LEU 9 HD22 LEU 9 -22.541 -3.329 -6.887 69 3HD2 LEU 9 HD23 LEU 9 -21.007 -2.600 -7.360 70 H ARG 10 HN ARG 10 -18.751 -4.101 -6.183 71 HA ARG 10 HA ARG 10 -16.326 -3.464 -7.564 72 1HB ARG 10 HB2 ARG 10 -18.574 -5.409 -7.766 73 2HB ARG 10 HB1 ARG 10 -17.584 -5.210 -9.211 74 1HG ARG 10 HG2 ARG 10 -16.211 -6.726 -8.221 75 2HG ARG 10 HG1 ARG 10 -15.663 -5.352 -7.260 76 1HD ARG 10 HD2 ARG 10 -16.911 -5.987 -5.390 77 2HD ARG 10 HD1 ARG 10 -18.091 -6.891 -6.362 78 HE ARG 10 HE ARG 10 -15.300 -7.819 -5.804 79 1HH1 ARG 10 HH11 ARG 10 -17.708 -9.159 -4.567 80 2HH1 ARG 10 HH12 ARG 10 -17.943 -10.510 -5.625 81 1HH2 ARG 10 HH21 ARG 10 -15.957 -9.204 -8.161 82 2HH2 ARG 10 HH22 ARG 10 -16.948 -10.535 -7.667 83 H LYS 11 HN LYS 11 -16.206 -1.583 -8.765 84 HA LYS 11 HA LYS 11 -18.307 -1.140 -10.846 85 1HB LYS 11 HB2 LYS 11 -18.278 0.340 -8.706 86 2HB LYS 11 HB1 LYS 11 -16.828 1.061 -9.404 87 1HG LYS 11 HG2 LYS 11 -18.035 1.744 -11.384 88 2HG LYS 11 HG1 LYS 11 -19.468 0.848 -10.876 89 1HD LYS 11 HD2 LYS 11 -19.116 2.409 -8.694 90 2HD LYS 11 HD1 LYS 11 -18.440 3.471 -9.930 91 1HE LYS 11 HE2 LYS 11 -20.660 2.743 -11.246 92 2HE LYS 11 HE1 LYS 11 -21.256 2.521 -9.589 93 1HZ LYS 11 HZ1 LYS 11 -20.421 4.738 -9.041 94 2HZ LYS 11 HZ2 LYS 11 -21.568 4.810 -10.292 95 3HZ LYS 11 HZ3 LYS 11 -19.914 4.958 -10.646 96 HA PRO 12 HA PRO 12 -14.745 -1.072 -13.494 97 1HB PRO 12 HB2 PRO 12 -15.968 -0.086 -15.740 98 2HB PRO 12 HB1 PRO 12 -16.173 -1.758 -15.183 99 1HG PRO 12 HG2 PRO 12 -17.993 0.571 -14.889 100 2HG PRO 12 HG1 PRO 12 -18.374 -1.132 -15.184 101 1HD PRO 12 HD2 PRO 12 -18.589 0.093 -12.743 102 2HD PRO 12 HD1 PRO 12 -18.345 -1.652 -12.965 103 H SER 13 HN SER 13 -14.297 0.869 -15.483 104 HA SER 13 HA SER 13 -13.313 3.001 -15.732 105 1HB SER 13 HB2 SER 13 -15.910 3.268 -15.417 106 2HB SER 13 HB1 SER 13 -15.462 3.985 -13.874 107 HG SER 13 HG SER 13 -15.234 5.708 -15.086 108 H ARG 14 HN ARG 14 -11.916 1.591 -13.879 109 HA ARG 14 HA ARG 14 -11.726 3.094 -11.350 110 1HB ARG 14 HB2 ARG 14 -10.602 0.590 -12.557 111 2HB ARG 14 HB1 ARG 14 -9.774 1.305 -11.173 112 1HG ARG 14 HG2 ARG 14 -11.678 1.092 -9.778 113 2HG ARG 14 HG1 ARG 14 -12.753 0.820 -11.149 114 1HD ARG 14 HD2 ARG 14 -11.596 -1.345 -11.600 115 2HD ARG 14 HD1 ARG 14 -10.601 -1.083 -10.153 116 HE ARG 14 HE ARG 14 -13.592 -1.295 -10.084 117 1HH1 ARG 14 HH21 ARG 14 -11.997 -0.049 -7.769 118 2HH1 ARG 14 HH22 ARG 14 -11.868 -1.402 -6.695 119 1HH2 ARG 14 HH11 ARG 14 -12.785 -3.735 -9.103 120 2HH2 ARG 14 HH12 ARG 14 -12.319 -3.497 -7.452 121 HA PRO 15 HA PRO 15 -8.316 5.631 -12.496 122 1HB PRO 15 HB2 PRO 15 -6.800 5.620 -10.223 123 2HB PRO 15 HB1 PRO 15 -8.351 6.473 -10.345 124 1HG PRO 15 HG2 PRO 15 -7.724 3.860 -9.078 125 2HG PRO 15 HG1 PRO 15 -8.850 5.124 -8.564 126 1HD PRO 15 HD2 PRO 15 -9.608 2.812 -9.823 127 2HD PRO 15 HD1 PRO 15 -10.541 4.323 -9.868 128 H ILE 16 HN ILE 16 -5.761 5.652 -12.300 129 HA ILE 16 HA ILE 16 -4.716 3.440 -13.782 130 HB ILE 16 HB ILE 16 -2.534 4.557 -13.332 131 1HG1 ILE 16 HG12 ILE 16 -3.886 6.701 -11.758 132 2HG1 ILE 16 HG11 ILE 16 -3.516 5.202 -10.905 133 1HG2 ILE 16 HG21 ILE 16 -4.586 6.716 -13.770 134 2HG2 ILE 16 HG22 ILE 16 -4.363 5.433 -14.960 135 3HG2 ILE 16 HG23 ILE 16 -3.021 6.502 -14.553 136 1HD1 ILE 16 HD11 ILE 16 -1.578 7.011 -12.368 137 2HD1 ILE 16 HD12 ILE 16 -1.153 5.392 -11.811 138 3HD1 ILE 16 HD13 ILE 16 -1.605 6.636 -10.645 139 H PHE 17 HN PHE 17 -2.608 2.298 -12.926 140 HA PHE 17 HA PHE 17 -3.285 0.418 -10.922 141 1HB PHE 17 HB2 PHE 17 -0.720 1.374 -12.188 142 2HB PHE 17 HB1 PHE 17 -0.700 0.103 -10.970 143 HD1 PHE 17 HD1 PHE 17 -2.040 -2.003 -11.346 144 HD2 PHE 17 HD2 PHE 17 -1.454 0.940 -14.420 145 HE1 PHE 17 HE1 PHE 17 -2.710 -3.662 -13.063 146 HE2 PHE 17 HE2 PHE 17 -2.122 -0.720 -16.136 147 HZ PHE 17 HZ PHE 17 -2.751 -3.020 -15.458 148 H ILE 18 HN ILE 18 -2.543 0.184 -8.743 149 HA ILE 18 HA ILE 18 -2.180 2.739 -7.297 150 HB ILE 18 HB ILE 18 -2.711 1.380 -5.340 151 1HG1 ILE 18 HG12 ILE 18 -2.885 -1.095 -7.045 152 2HG1 ILE 18 HG11 ILE 18 -1.331 -0.624 -6.359 153 1HG2 ILE 18 HG21 ILE 18 -4.493 0.275 -7.499 154 2HG2 ILE 18 HG22 ILE 18 -4.488 2.003 -7.150 155 3HG2 ILE 18 HG23 ILE 18 -4.925 0.850 -5.889 156 1HD1 ILE 18 HD11 ILE 18 -2.264 -2.046 -4.718 157 2HD1 ILE 18 HD12 ILE 18 -3.874 -1.353 -4.910 158 3HD1 ILE 18 HD13 ILE 18 -2.604 -0.425 -4.115 159 H ARG 19 HN ARG 19 -0.706 2.163 -5.156 160 HA ARG 19 HA ARG 19 1.978 2.387 -5.912 161 1HB ARG 19 HB2 ARG 19 2.386 2.327 -3.611 162 2HB ARG 19 HB1 ARG 19 0.672 2.717 -3.651 163 1HG ARG 19 HG2 ARG 19 1.609 -0.151 -3.483 164 2HG ARG 19 HG1 ARG 19 1.454 0.845 -2.041 165 1HD ARG 19 HD2 ARG 19 -0.918 1.096 -3.704 166 2HD ARG 19 HD1 ARG 19 -0.612 -0.595 -3.265 167 HE ARG 19 HE ARG 19 -0.366 0.259 -0.871 168 1HH1 ARG 19 HH21 ARG 19 -0.569 3.164 -1.342 169 2HH1 ARG 19 HH22 ARG 19 -2.246 3.491 -1.061 170 1HH2 ARG 19 HH11 ARG 19 -3.206 0.159 -1.346 171 2HH2 ARG 19 HH12 ARG 19 -3.748 1.779 -1.062 172 HA PRO 20 HA PRO 20 3.214 -1.631 -7.187 173 1HB PRO 20 HB2 PRO 20 5.905 -1.416 -6.707 174 2HB PRO 20 HB1 PRO 20 5.087 -0.639 -8.079 175 1HG PRO 20 HG2 PRO 20 5.943 0.528 -5.478 176 2HG PRO 20 HG1 PRO 20 6.002 1.227 -7.102 177 1HD PRO 20 HD2 PRO 20 4.093 1.873 -5.280 178 2HD PRO 20 HD1 PRO 20 3.819 1.911 -7.031 179 H ILE 21 HN ILE 21 4.573 -3.523 -6.364 180 HA ILE 21 HA ILE 21 3.755 -4.211 -3.662 181 HB ILE 21 HB ILE 21 5.003 -5.461 -6.062 182 1HG1 ILE 21 HG12 ILE 21 2.548 -5.431 -5.534 183 2HG1 ILE 21 HG11 ILE 21 3.214 -7.044 -5.756 184 1HG2 ILE 21 HG21 ILE 21 5.178 -6.761 -3.326 185 2HG2 ILE 21 HG22 ILE 21 6.551 -6.196 -4.278 186 3HG2 ILE 21 HG23 ILE 21 5.563 -7.533 -4.863 187 1HD1 ILE 21 HD11 ILE 21 1.670 -6.416 -3.647 188 2HD1 ILE 21 HD12 ILE 21 3.237 -5.956 -2.983 189 3HD1 ILE 21 HD13 ILE 21 2.966 -7.607 -3.539 190 H GLY 22 HN GLY 22 5.390 -5.241 -2.157 191 1HA GLY 22 HA2 GLY 22 7.660 -5.356 -1.277 192 2HA GLY 22 HA1 GLY 22 8.061 -3.930 -2.232 193 H CYS 23 HN CYS 23 6.468 -2.020 -1.669 194 HA CYS 23 HA CYS 23 6.944 -1.267 1.077 195 1HB CYS 23 HB2 CYS 23 5.548 -0.213 -1.342 196 2HB CYS 23 HB1 CYS 23 5.170 0.549 0.197 197 H ASP 24 HN ASP 24 4.194 -2.703 -0.602 198 HA ASP 24 HA ASP 24 2.350 -2.321 1.654 199 1HB ASP 24 HB2 ASP 24 2.212 -2.823 -1.104 200 2HB ASP 24 HB1 ASP 24 1.611 -4.300 -0.354 201 H VAL 25 HN VAL 25 4.990 -4.158 1.591 202 HA VAL 25 HA VAL 25 3.740 -6.378 3.112 203 HB VAL 25 HB VAL 25 5.917 -6.712 1.016 204 1HG1 VAL 25 HG11 VAL 25 4.785 -9.138 1.281 205 2HG1 VAL 25 HG12 VAL 25 4.455 -8.506 2.894 206 3HG1 VAL 25 HG13 VAL 25 6.115 -8.602 2.308 207 1HG2 VAL 25 HG21 VAL 25 3.999 -7.880 -0.261 208 2HG2 VAL 25 HG22 VAL 25 3.994 -6.117 -0.253 209 3HG2 VAL 25 HG23 VAL 25 2.912 -7.006 0.819 210 H CYS 26 HN CYS 26 4.699 -4.535 4.618 211 HA CYS 26 HA CYS 26 7.401 -4.031 5.073 212 1HB CYS 26 HB2 CYS 26 5.094 -4.509 6.978 213 2HB CYS 26 HB1 CYS 26 6.641 -3.859 7.505 214 H TYR 27 HN TYR 27 5.686 -7.047 5.626 215 HA TYR 27 HA TYR 27 8.032 -8.160 7.097 216 1HB TYR 27 HB2 TYR 27 5.318 -9.425 6.659 217 2HB TYR 27 HB1 TYR 27 6.492 -9.798 7.916 218 HD1 TYR 27 HD1 TYR 27 3.595 -7.889 7.086 219 HD2 TYR 27 HD2 TYR 27 7.104 -7.866 9.563 220 HE1 TYR 27 HE1 TYR 27 2.538 -6.207 8.568 221 HE2 TYR 27 HE2 TYR 27 6.046 -6.184 11.046 222 HH TYR 27 HH TYR 27 4.010 -4.292 10.508 223 H GLY 28 HN GLY 28 9.394 -9.479 5.981 224 1HA GLY 28 HA2 GLY 28 9.645 -11.491 4.556 225 2HA GLY 28 HA1 GLY 28 8.363 -10.849 3.532 226 H ILE 29 HN ILE 29 9.504 -8.075 3.705 227 HA ILE 29 HA ILE 29 11.410 -8.370 1.494 228 HB ILE 29 HB ILE 29 11.186 -5.940 1.341 229 1HG1 ILE 29 HG12 ILE 29 9.595 -6.107 3.923 230 2HG1 ILE 29 HG11 ILE 29 11.252 -5.512 3.810 231 1HG2 ILE 29 HG21 ILE 29 9.355 -7.355 0.462 232 2HG2 ILE 29 HG22 ILE 29 8.764 -5.791 1.021 233 3HG2 ILE 29 HG23 ILE 29 8.526 -7.229 2.013 234 1HD1 ILE 29 HD11 ILE 29 8.757 -4.311 2.597 235 2HD1 ILE 29 HD12 ILE 29 10.372 -3.861 2.051 236 3HD1 ILE 29 HD13 ILE 29 9.891 -3.562 3.721 237 HA PRO 30 HA PRO 30 15.086 -7.816 3.786 238 1HB PRO 30 HB2 PRO 30 16.594 -6.307 2.062 239 2HB PRO 30 HB1 PRO 30 16.264 -8.036 1.831 240 1HG PRO 30 HG2 PRO 30 15.072 -5.690 0.490 241 2HG PRO 30 HG1 PRO 30 15.364 -7.316 -0.129 242 1HD PRO 30 HD2 PRO 30 12.902 -6.339 0.690 243 2HD PRO 30 HD1 PRO 30 13.320 -8.055 0.535 244 H SER 31 HN SER 31 16.303 -6.307 5.046 245 HA SER 31 HA SER 31 14.897 -4.107 6.141 246 1HB SER 31 HB2 SER 31 16.980 -5.551 6.887 247 2HB SER 31 HB1 SER 31 17.897 -4.251 6.132 248 HG SER 31 HG SER 31 16.777 -4.285 8.522 249 H SER 32 HN SER 32 17.397 -4.148 3.584 250 HA SER 32 HA SER 32 17.727 -1.308 3.375 251 1HB SER 32 HB2 SER 32 19.065 -3.337 2.400 252 2HB SER 32 HB1 SER 32 17.928 -3.231 1.059 253 HG SER 32 HG SER 32 19.951 -1.958 0.923 254 H THR 33 HN THR 33 15.570 -3.566 1.618 255 HA THR 33 HA THR 33 14.339 -1.550 -0.043 256 HB THR 33 HB THR 33 13.370 -4.237 0.991 257 HG1 THR 33 HG1 THR 33 14.411 -3.601 -1.561 258 1HG2 THR 33 HG21 THR 33 12.188 -2.250 -0.882 259 2HG2 THR 33 HG22 THR 33 11.391 -3.432 0.155 260 3HG2 THR 33 HG23 THR 33 12.109 -3.942 -1.373 261 H ALA 34 HN ALA 34 13.511 -2.955 3.127 262 HA ALA 34 HA ALA 34 11.029 -1.607 3.526 263 1HB ALA 34 HB1 ALA 34 13.116 -2.967 5.164 264 2HB ALA 34 HB2 ALA 34 11.385 -3.291 5.064 265 3HB ALA 34 HB3 ALA 34 11.975 -1.941 6.034 266 H ARG 35 HN ARG 35 14.383 -0.603 4.206 267 HA ARG 35 HA ARG 35 13.768 1.803 5.651 268 1HB ARG 35 HB2 ARG 35 15.982 0.752 5.606 269 2HB ARG 35 HB1 ARG 35 16.096 1.007 3.866 270 1HG ARG 35 HG2 ARG 35 16.513 3.263 4.079 271 2HG ARG 35 HG1 ARG 35 15.572 3.405 5.564 272 1HD ARG 35 HD2 ARG 35 17.740 1.662 6.156 273 2HD ARG 35 HD1 ARG 35 18.418 3.057 5.293 274 HE ARG 35 HE ARG 35 17.207 4.515 6.939 275 1HH1 ARG 35 HH11 ARG 35 15.447 2.324 8.064 276 2HH1 ARG 35 HH12 ARG 35 16.226 1.990 9.574 277 1HH2 ARG 35 HH21 ARG 35 19.184 3.594 8.701 278 2HH2 ARG 35 HH22 ARG 35 18.351 2.712 9.936 279 H LEU 36 HN LEU 36 14.397 1.200 2.187 280 HA LEU 36 HA LEU 36 14.056 3.913 1.294 281 1HB LEU 36 HB2 LEU 36 14.778 1.453 0.237 282 2HB LEU 36 HB1 LEU 36 13.233 1.768 -0.551 283 HG LEU 36 HG LEU 36 15.066 2.688 -1.895 284 1HD1 LEU 36 HD11 LEU 36 12.851 3.900 -1.703 285 2HD1 LEU 36 HD12 LEU 36 14.210 4.917 -2.182 286 3HD1 LEU 36 HD13 LEU 36 13.615 4.965 -0.523 287 1HD2 LEU 36 HD21 LEU 36 16.573 4.363 -1.045 288 2HD2 LEU 36 HD22 LEU 36 16.596 3.023 0.101 289 3HD2 LEU 36 HD23 LEU 36 15.679 4.483 0.469 290 H CYS 37 HN CYS 37 11.779 1.213 1.718 291 HA CYS 37 HA CYS 37 9.473 2.393 0.506 292 1HB CYS 37 HB2 CYS 37 10.165 0.193 2.360 293 2HB CYS 37 HB1 CYS 37 8.521 0.799 2.517 294 H CYS 38 HN CYS 38 10.896 2.764 3.733 295 HA CYS 38 HA CYS 38 8.586 4.228 4.807 296 1HB CYS 38 HB2 CYS 38 9.934 2.816 6.246 297 2HB CYS 38 HB1 CYS 38 11.409 3.644 5.757 298 H PHE 39 HN PHE 39 11.815 4.967 3.541 299 HA PHE 39 HA PHE 39 11.827 7.773 4.189 300 1HB PHE 39 HB2 PHE 39 13.908 6.762 3.778 301 2HB PHE 39 HB1 PHE 39 13.320 5.911 2.353 302 HD1 PHE 39 HD1 PHE 39 13.939 9.378 3.640 303 HD2 PHE 39 HD2 PHE 39 13.735 6.787 0.221 304 HE1 PHE 39 HE1 PHE 39 14.765 11.218 2.197 305 HE2 PHE 39 HE2 PHE 39 14.561 8.626 -1.222 306 HZ PHE 39 HZ PHE 39 15.075 10.842 -0.234 307 H ARG 40 HN ARG 40 10.785 5.966 1.298 308 HA ARG 40 HA ARG 40 10.045 8.524 -0.027 309 1HB ARG 40 HB2 ARG 40 10.807 5.792 -0.808 310 2HB ARG 40 HB1 ARG 40 9.493 6.462 -1.770 311 1HG ARG 40 HG2 ARG 40 12.121 7.880 -1.246 312 2HG ARG 40 HG1 ARG 40 11.745 6.986 -2.719 313 1HD ARG 40 HD2 ARG 40 9.598 8.549 -2.748 314 2HD ARG 40 HD1 ARG 40 10.628 9.602 -1.759 315 HE ARG 40 HE ARG 40 12.362 8.999 -3.725 316 1HH1 ARG 40 HH21 ARG 40 9.879 8.087 -5.303 317 2HH1 ARG 40 HH22 ARG 40 9.563 9.502 -6.250 318 1HH2 ARG 40 HH11 ARG 40 11.588 11.565 -4.318 319 2HH2 ARG 40 HH12 ARG 40 10.535 11.479 -5.690 320 H TYR 41 HN TYR 41 8.475 5.304 0.371 321 HA TYR 41 HA TYR 41 5.842 6.424 -0.155 322 1HB TYR 41 HB2 TYR 41 6.934 3.765 0.744 323 2HB TYR 41 HB1 TYR 41 5.202 4.048 0.601 324 HD1 TYR 41 HD1 TYR 41 4.157 4.458 -1.577 325 HD2 TYR 41 HD2 TYR 41 8.371 3.705 -1.221 326 HE1 TYR 41 HE1 TYR 41 4.291 4.062 -4.022 327 HE2 TYR 41 HE2 TYR 41 8.508 3.316 -3.667 328 HH TYR 41 HH TYR 41 5.599 3.440 -5.725 329 H GLY 42 HN GLY 42 7.566 5.373 2.774 330 1HA GLY 42 HA2 GLY 42 7.182 6.471 4.907 331 2HA GLY 42 HA1 GLY 42 5.552 6.864 4.378 332 H ASP 43 HN ASP 43 6.427 3.638 3.604 333 HA ASP 43 HA ASP 43 4.795 2.653 5.911 334 1HB ASP 43 HB2 ASP 43 5.426 1.241 3.310 335 2HB ASP 43 HB1 ASP 43 4.152 0.853 4.453 336 H CYS 44 HN CYS 44 5.468 0.605 6.879 337 HA CYS 44 HA CYS 44 7.054 -0.857 7.839 338 1HB CYS 44 HB2 CYS 44 8.725 -0.203 5.400 339 2HB CYS 44 HB1 CYS 44 8.783 -1.668 6.364 340 H CYS 45 HN CYS 45 7.057 1.868 8.638 341 HA CYS 45 HA CYS 45 9.858 2.792 8.746 342 1HB CYS 45 HB2 CYS 45 7.171 3.796 9.709 343 2HB CYS 45 HB1 CYS 45 8.671 4.625 10.113 344 H HIS 46 HN HIS 46 7.322 2.210 11.211 345 HA HIS 46 HA HIS 46 9.398 1.748 13.266 346 1HB HIS 46 HB2 HIS 46 6.410 2.129 13.173 347 2HB HIS 46 HB1 HIS 46 7.174 1.516 14.639 348 HD1 HIS 46 HD1 HIS 46 6.646 4.609 12.681 349 HD2 HIS 46 HD2 HIS 46 9.112 3.368 15.805 350 HE1 HIS 46 HE1 HIS 46 7.640 6.709 13.687 351 H LEU 47 HN LEU 47 10.114 -0.299 12.109 352 HA LEU 47 HA LEU 47 8.265 -2.612 12.484 353 1HB LEU 47 HB2 LEU 47 9.416 -2.071 10.286 354 2HB LEU 47 HB1 LEU 47 10.946 -2.449 11.076 355 HG LEU 47 HG LEU 47 9.749 -4.690 11.732 356 1HD1 LEU 47 HD11 LEU 47 8.131 -3.743 9.347 357 2HD1 LEU 47 HD12 LEU 47 7.516 -4.079 10.965 358 3HD1 LEU 47 HD13 LEU 47 8.128 -5.395 9.963 359 1HD2 LEU 47 HD21 LEU 47 11.687 -4.537 10.226 360 2HD2 LEU 47 HD22 LEU 47 10.631 -4.076 8.891 361 3HD2 LEU 47 HD23 LEU 47 10.516 -5.692 9.589 Start of MODEL 16 1 1H HIS 1 HT1 HIS 1 -27.858 -0.650 -0.977 2 2H HIS 1 HT2 HIS 1 -26.952 0.061 0.271 3 3H HIS 1 HT3 HIS 1 -27.114 -1.629 0.192 4 HA HIS 1 HA HIS 1 -25.565 0.135 -1.636 5 1HB HIS 1 HB2 HIS 1 -24.984 -2.142 0.283 6 2HB HIS 1 HB1 HIS 1 -23.790 -1.526 -0.857 7 HD1 HIS 1 HD1 HIS 1 -23.082 1.036 -0.552 8 HD2 HIS 1 HD2 HIS 1 -25.330 -0.568 2.572 9 HE1 HIS 1 HE1 HIS 1 -22.832 2.628 1.402 10 H SER 2 HN SER 2 -25.046 -0.720 -3.665 11 HA SER 2 HA SER 2 -26.290 -3.357 -4.371 12 1HB SER 2 HB2 SER 2 -27.026 -1.019 -5.342 13 2HB SER 2 HB1 SER 2 -25.582 -1.192 -6.336 14 HG SER 2 HG SER 2 -27.387 -2.104 -7.366 15 H SER 3 HN SER 3 -24.923 -4.921 -5.171 16 HA SER 3 HA SER 3 -22.930 -5.983 -5.844 17 1HB SER 3 HB2 SER 3 -23.524 -4.002 -7.592 18 2HB SER 3 HB1 SER 3 -21.944 -3.443 -7.051 19 HG SER 3 HG SER 3 -21.898 -4.914 -8.863 20 H GLY 4 HN GLY 4 -22.376 -5.861 -3.443 21 1HA GLY 4 HA2 GLY 4 -20.463 -3.816 -2.603 22 2HA GLY 4 HA1 GLY 4 -20.970 -5.211 -1.653 23 H TYR 5 HN TYR 5 -18.967 -4.334 -4.475 24 HA TYR 5 HA TYR 5 -17.515 -6.862 -4.494 25 1HB TYR 5 HB2 TYR 5 -17.793 -4.478 -6.068 26 2HB TYR 5 HB1 TYR 5 -16.076 -4.745 -5.772 27 HD1 TYR 5 HD1 TYR 5 -19.091 -6.006 -7.412 28 HD2 TYR 5 HD2 TYR 5 -14.991 -6.869 -6.463 29 HE1 TYR 5 HE1 TYR 5 -19.081 -7.819 -9.102 30 HE2 TYR 5 HE2 TYR 5 -14.982 -8.683 -8.154 31 HH TYR 5 HH TYR 5 -17.256 -10.197 -9.234 32 H THR 6 HN THR 6 -15.364 -7.217 -3.770 33 HA THR 6 HA THR 6 -14.522 -5.490 -1.512 34 HB THR 6 HB THR 6 -14.687 -7.912 -1.188 35 HG1 THR 6 HG1 THR 6 -12.866 -8.005 -0.112 36 1HG2 THR 6 HG21 THR 6 -14.160 -9.331 -2.849 37 2HG2 THR 6 HG22 THR 6 -12.464 -8.877 -2.684 38 3HG2 THR 6 HG23 THR 6 -13.507 -7.999 -3.803 39 H ARG 7 HN ARG 7 -13.680 -3.668 -2.707 40 HA ARG 7 HA ARG 7 -10.916 -4.045 -3.642 41 1HB ARG 7 HB2 ARG 7 -12.552 -4.530 -5.554 42 2HB ARG 7 HB1 ARG 7 -12.981 -2.822 -5.484 43 1HG ARG 7 HG2 ARG 7 -11.290 -2.833 -7.101 44 2HG ARG 7 HG1 ARG 7 -10.397 -2.428 -5.636 45 1HD ARG 7 HD2 ARG 7 -9.635 -4.713 -5.379 46 2HD ARG 7 HD1 ARG 7 -10.696 -5.262 -6.692 47 HE ARG 7 HE ARG 7 -9.350 -3.638 -8.167 48 1HH1 ARG 7 HH11 ARG 7 -7.609 -2.655 -5.904 49 2HH1 ARG 7 HH12 ARG 7 -6.175 -3.601 -6.126 50 1HH2 ARG 7 HH21 ARG 7 -7.719 -5.927 -8.199 51 2HH2 ARG 7 HH22 ARG 7 -6.238 -5.463 -7.431 52 HA PRO 8 HA PRO 8 -10.980 -0.020 -1.722 53 1HB PRO 8 HB2 PRO 8 -8.312 0.515 -1.993 54 2HB PRO 8 HB1 PRO 8 -8.953 -0.595 -0.766 55 1HG PRO 8 HG2 PRO 8 -7.631 -1.195 -3.354 56 2HG PRO 8 HG1 PRO 8 -7.543 -2.058 -1.812 57 1HD PRO 8 HD2 PRO 8 -9.067 -2.852 -3.963 58 2HD PRO 8 HD1 PRO 8 -9.376 -3.323 -2.279 59 H LEU 9 HN LEU 9 -11.365 1.988 -2.628 60 HA LEU 9 HA LEU 9 -10.967 2.341 -5.526 61 1HB LEU 9 HB2 LEU 9 -12.228 4.033 -3.342 62 2HB LEU 9 HB1 LEU 9 -12.286 4.426 -5.060 63 HG LEU 9 HG LEU 9 -13.214 1.726 -4.103 64 1HD1 LEU 9 HD11 LEU 9 -14.342 3.612 -2.793 65 2HD1 LEU 9 HD12 LEU 9 -15.418 2.544 -3.694 66 3HD1 LEU 9 HD13 LEU 9 -15.021 4.140 -4.333 67 1HD2 LEU 9 HD21 LEU 9 -14.476 1.754 -6.142 68 2HD2 LEU 9 HD22 LEU 9 -12.869 2.350 -6.557 69 3HD2 LEU 9 HD23 LEU 9 -14.207 3.483 -6.362 70 H ARG 10 HN ARG 10 -9.773 4.144 -6.425 71 HA ARG 10 HA ARG 10 -7.235 4.691 -5.267 72 1HB ARG 10 HB2 ARG 10 -7.148 6.447 -7.067 73 2HB ARG 10 HB1 ARG 10 -7.682 4.873 -7.652 74 1HG ARG 10 HG2 ARG 10 -9.887 5.570 -7.930 75 2HG ARG 10 HG1 ARG 10 -9.742 6.853 -6.729 76 1HD ARG 10 HD2 ARG 10 -7.993 7.858 -8.442 77 2HD ARG 10 HD1 ARG 10 -8.879 6.853 -9.607 78 HE ARG 10 HE ARG 10 -9.963 9.179 -8.175 79 1HH1 ARG 10 HH11 ARG 10 -10.601 8.707 -11.016 80 2HH1 ARG 10 HH12 ARG 10 -12.203 8.052 -10.955 81 1HH2 ARG 10 HH21 ARG 10 -12.032 7.260 -7.573 82 2HH2 ARG 10 HH22 ARG 10 -13.017 7.230 -8.997 83 H LYS 11 HN LYS 11 -6.481 6.345 -3.967 84 HA LYS 11 HA LYS 11 -6.583 8.046 -2.333 85 1HB LYS 11 HB2 LYS 11 -6.860 9.180 -4.602 86 2HB LYS 11 HB1 LYS 11 -8.593 9.219 -4.276 87 1HG LYS 11 HG2 LYS 11 -7.291 10.194 -1.943 88 2HG LYS 11 HG1 LYS 11 -6.552 11.008 -3.322 89 1HD LYS 11 HD2 LYS 11 -8.581 11.949 -4.021 90 2HD LYS 11 HD1 LYS 11 -9.545 10.752 -3.156 91 1HE LYS 11 HE2 LYS 11 -9.050 11.754 -1.027 92 2HE LYS 11 HE1 LYS 11 -7.801 12.795 -1.740 93 1HZ LYS 11 HZ1 LYS 11 -10.058 13.853 -1.427 94 2HZ LYS 11 HZ2 LYS 11 -10.623 12.828 -2.658 95 3HZ LYS 11 HZ3 LYS 11 -9.403 13.966 -2.988 96 HA PRO 12 HA PRO 12 -10.698 6.552 -0.758 97 1HB PRO 12 HB2 PRO 12 -9.759 5.010 1.296 98 2HB PRO 12 HB1 PRO 12 -9.991 4.391 -0.350 99 1HG PRO 12 HG2 PRO 12 -7.499 5.146 1.050 100 2HG PRO 12 HG1 PRO 12 -7.774 3.916 -0.190 101 1HD PRO 12 HD2 PRO 12 -6.639 6.423 -0.607 102 2HD PRO 12 HD1 PRO 12 -7.292 5.356 -1.866 103 H SER 13 HN SER 13 -11.097 6.462 1.932 104 HA SER 13 HA SER 13 -9.986 9.053 2.943 105 1HB SER 13 HB2 SER 13 -12.702 7.735 3.188 106 2HB SER 13 HB1 SER 13 -12.233 9.140 4.139 107 HG SER 13 HG SER 13 -13.348 9.434 1.994 108 H ARG 14 HN ARG 14 -8.400 6.995 3.594 109 HA ARG 14 HA ARG 14 -9.283 5.706 6.099 110 1HB ARG 14 HB2 ARG 14 -6.714 5.630 4.482 111 2HB ARG 14 HB1 ARG 14 -7.046 4.605 5.877 112 1HG ARG 14 HG2 ARG 14 -9.224 4.531 3.934 113 2HG ARG 14 HG1 ARG 14 -7.691 4.026 3.223 114 1HD ARG 14 HD2 ARG 14 -8.846 2.907 5.807 115 2HD ARG 14 HD1 ARG 14 -8.904 2.096 4.231 116 HE ARG 14 HE ARG 14 -6.607 2.154 5.943 117 1HH1 ARG 14 HH11 ARG 14 -7.213 0.475 3.393 118 2HH1 ARG 14 HH12 ARG 14 -5.848 0.904 2.417 119 1HH2 ARG 14 HH21 ARG 14 -4.979 3.645 4.371 120 2HH2 ARG 14 HH22 ARG 14 -4.583 2.710 2.969 121 HA PRO 15 HA PRO 15 -7.463 9.159 8.335 122 1HB PRO 15 HB2 PRO 15 -8.230 8.318 10.819 123 2HB PRO 15 HB1 PRO 15 -9.336 9.122 9.688 124 1HG PRO 15 HG2 PRO 15 -9.077 6.239 10.354 125 2HG PRO 15 HG1 PRO 15 -10.525 7.191 9.993 126 1HD PRO 15 HD2 PRO 15 -9.303 5.504 8.208 127 2HD PRO 15 HD1 PRO 15 -10.316 6.887 7.745 128 H ILE 16 HN ILE 16 -5.952 9.250 10.321 129 HA ILE 16 HA ILE 16 -3.580 7.810 9.916 130 HB ILE 16 HB ILE 16 -3.009 8.556 12.228 131 1HG1 ILE 16 HG12 ILE 16 -5.973 9.198 12.318 132 2HG1 ILE 16 HG11 ILE 16 -5.092 8.101 13.377 133 1HG2 ILE 16 HG21 ILE 16 -4.618 10.760 10.957 134 2HG2 ILE 16 HG22 ILE 16 -3.213 10.097 10.122 135 3HG2 ILE 16 HG23 ILE 16 -3.025 10.840 11.710 136 1HD1 ILE 16 HD11 ILE 16 -5.344 10.109 14.632 137 2HD1 ILE 16 HD12 ILE 16 -4.900 11.115 13.254 138 3HD1 ILE 16 HD13 ILE 16 -3.677 10.128 14.056 139 H PHE 17 HN PHE 17 -2.877 5.782 10.454 140 HA PHE 17 HA PHE 17 -4.300 4.202 12.528 141 1HB PHE 17 HB2 PHE 17 -5.101 4.059 9.950 142 2HB PHE 17 HB1 PHE 17 -3.798 2.872 9.908 143 HD1 PHE 17 HD1 PHE 17 -6.612 3.858 12.203 144 HD2 PHE 17 HD2 PHE 17 -4.387 0.673 10.371 145 HE1 PHE 17 HE1 PHE 17 -8.087 2.195 13.302 146 HE2 PHE 17 HE2 PHE 17 -5.861 -0.990 11.471 147 HZ PHE 17 HZ PHE 17 -7.711 -0.229 12.936 148 H ILE 18 HN ILE 18 -3.134 1.948 12.659 149 HA ILE 18 HA ILE 18 -0.335 2.405 13.211 150 HB ILE 18 HB ILE 18 -0.365 0.029 13.824 151 1HG1 ILE 18 HG12 ILE 18 -3.101 -0.045 12.507 152 2HG1 ILE 18 HG11 ILE 18 -1.640 -0.761 11.830 153 1HG2 ILE 18 HG21 ILE 18 -3.093 1.074 14.570 154 2HG2 ILE 18 HG22 ILE 18 -1.633 1.858 15.173 155 3HG2 ILE 18 HG23 ILE 18 -1.948 0.166 15.558 156 1HD1 ILE 18 HD11 ILE 18 -2.565 -2.597 12.923 157 2HD1 ILE 18 HD12 ILE 18 -3.233 -1.614 14.226 158 3HD1 ILE 18 HD13 ILE 18 -1.504 -1.959 14.180 159 H ARG 19 HN ARG 19 1.323 0.747 12.285 160 HA ARG 19 HA ARG 19 1.876 1.268 9.590 161 1HB ARG 19 HB2 ARG 19 3.590 0.512 11.003 162 2HB ARG 19 HB1 ARG 19 2.651 -0.864 11.563 163 1HG ARG 19 HG2 ARG 19 2.868 -1.298 8.813 164 2HG ARG 19 HG1 ARG 19 4.444 -0.658 9.268 165 1HD ARG 19 HD2 ARG 19 4.778 -2.917 9.742 166 2HD ARG 19 HD1 ARG 19 4.164 -2.361 11.310 167 HE ARG 19 HE ARG 19 2.311 -3.450 9.221 168 1HH1 ARG 19 HH11 ARG 19 1.043 -2.437 11.663 169 2HH1 ARG 19 HH12 ARG 19 0.950 -3.836 12.678 170 1HH2 ARG 19 HH21 ARG 19 3.295 -5.637 10.847 171 2HH2 ARG 19 HH22 ARG 19 2.229 -5.660 12.212 172 HA PRO 20 HA PRO 20 -1.294 -1.333 7.756 173 1HB PRO 20 HB2 PRO 20 -0.910 -0.375 5.219 174 2HB PRO 20 HB1 PRO 20 -1.859 0.485 6.450 175 1HG PRO 20 HG2 PRO 20 0.923 0.968 5.526 176 2HG PRO 20 HG1 PRO 20 -0.324 2.124 6.009 177 1HD PRO 20 HD2 PRO 20 1.765 1.365 7.615 178 2HD PRO 20 HD1 PRO 20 0.213 1.969 8.219 179 H ILE 21 HN ILE 21 -1.229 -2.859 5.814 180 HA ILE 21 HA ILE 21 1.208 -4.467 5.898 181 HB ILE 21 HB ILE 21 -1.605 -4.626 4.930 182 1HG1 ILE 21 HG12 ILE 21 -0.760 -5.465 7.141 183 2HG1 ILE 21 HG11 ILE 21 -1.560 -6.691 6.165 184 1HG2 ILE 21 HG21 ILE 21 0.558 -6.451 3.835 185 2HG2 ILE 21 HG22 ILE 21 -0.394 -5.302 2.894 186 3HG2 ILE 21 HG23 ILE 21 -1.178 -6.691 3.646 187 1HD1 ILE 21 HD11 ILE 21 0.438 -7.788 5.657 188 2HD1 ILE 21 HD12 ILE 21 0.746 -7.243 7.305 189 3HD1 ILE 21 HD13 ILE 21 1.415 -6.348 5.941 190 H GLY 22 HN GLY 22 2.135 -5.298 3.798 191 1HA GLY 22 HA2 GLY 22 2.557 -4.947 1.402 192 2HA GLY 22 HA1 GLY 22 2.110 -3.258 1.623 193 H CYS 23 HN CYS 23 3.531 -2.334 3.620 194 HA CYS 23 HA CYS 23 6.294 -2.314 2.655 195 1HB CYS 23 HB2 CYS 23 4.677 -0.992 4.823 196 2HB CYS 23 HB1 CYS 23 6.416 -0.772 4.765 197 H ASP 24 HN ASP 24 4.538 -4.173 4.955 198 HA ASP 24 HA ASP 24 6.735 -4.671 6.810 199 1HB ASP 24 HB2 ASP 24 4.203 -6.275 6.383 200 2HB ASP 24 HB1 ASP 24 5.134 -6.119 7.864 201 H VAL 25 HN VAL 25 6.266 -5.730 3.646 202 HA VAL 25 HA VAL 25 7.965 -8.112 4.127 203 HB VAL 25 HB VAL 25 5.463 -8.129 2.403 204 1HG1 VAL 25 HG11 VAL 25 5.948 -10.323 1.965 205 2HG1 VAL 25 HG12 VAL 25 6.641 -10.596 3.564 206 3HG1 VAL 25 HG13 VAL 25 7.595 -9.800 2.314 207 1HG2 VAL 25 HG21 VAL 25 5.869 -8.988 5.285 208 2HG2 VAL 25 HG22 VAL 25 4.525 -9.561 4.298 209 3HG2 VAL 25 HG23 VAL 25 4.681 -7.843 4.663 210 H CYS 26 HN CYS 26 9.412 -6.333 3.232 211 HA CYS 26 HA CYS 26 9.325 -5.167 0.700 212 1HB CYS 26 HB2 CYS 26 11.514 -6.289 2.439 213 2HB CYS 26 HB1 CYS 26 11.913 -5.559 0.890 214 H TYR 27 HN TYR 27 9.858 -8.550 1.483 215 HA TYR 27 HA TYR 27 10.579 -9.125 -1.359 216 1HB TYR 27 HB2 TYR 27 10.706 -11.035 0.977 217 2HB TYR 27 HB1 TYR 27 11.630 -11.082 -0.519 218 HD1 TYR 27 HD1 TYR 27 11.552 -9.932 2.885 219 HD2 TYR 27 HD2 TYR 27 13.316 -9.182 -0.961 220 HE1 TYR 27 HE1 TYR 27 13.361 -8.630 3.969 221 HE2 TYR 27 HE2 TYR 27 15.125 -7.880 0.125 222 HH TYR 27 HH TYR 27 15.244 -6.521 2.484 223 H GLY 28 HN GLY 28 9.010 -10.027 -2.620 224 1HA GLY 28 HA2 GLY 28 7.366 -11.862 -2.896 225 2HA GLY 28 HA1 GLY 28 6.784 -11.500 -1.274 226 H ILE 29 HN ILE 29 6.965 -8.532 -1.829 227 HA ILE 29 HA ILE 29 4.287 -8.264 -2.975 228 HB ILE 29 HB ILE 29 4.571 -5.904 -2.361 229 1HG1 ILE 29 HG12 ILE 29 7.440 -6.637 -1.689 230 2HG1 ILE 29 HG11 ILE 29 6.951 -5.724 -3.117 231 1HG2 ILE 29 HG21 ILE 29 5.120 -6.217 0.058 232 2HG2 ILE 29 HG22 ILE 29 5.677 -7.847 -0.316 233 3HG2 ILE 29 HG23 ILE 29 3.985 -7.416 -0.559 234 1HD1 ILE 29 HD11 ILE 29 6.748 -3.818 -1.931 235 2HD1 ILE 29 HD12 ILE 29 7.541 -4.660 -0.601 236 3HD1 ILE 29 HD13 ILE 29 5.781 -4.615 -0.691 237 HA PRO 30 HA PRO 30 5.392 -7.204 -7.069 238 1HB PRO 30 HB2 PRO 30 3.522 -5.289 -7.667 239 2HB PRO 30 HB1 PRO 30 3.157 -7.023 -7.557 240 1HG PRO 30 HG2 PRO 30 2.605 -4.849 -5.634 241 2HG PRO 30 HG1 PRO 30 1.695 -6.324 -5.961 242 1HD PRO 30 HD2 PRO 30 3.358 -5.934 -3.782 243 2HD PRO 30 HD1 PRO 30 2.842 -7.513 -4.402 244 H SER 31 HN SER 31 6.410 -5.581 -8.386 245 HA SER 31 HA SER 31 8.179 -3.795 -7.079 246 1HB SER 31 HB2 SER 31 8.189 -4.819 -9.447 247 2HB SER 31 HB1 SER 31 7.150 -3.472 -9.902 248 HG SER 31 HG SER 31 9.835 -3.504 -9.129 249 H SER 32 HN SER 32 5.007 -3.147 -8.596 250 HA SER 32 HA SER 32 5.039 -0.303 -8.378 251 1HB SER 32 HB2 SER 32 3.420 -1.840 -9.618 252 2HB SER 32 HB1 SER 32 2.648 -2.144 -8.065 253 HG SER 32 HG SER 32 2.936 0.328 -9.433 254 H THR 33 HN THR 33 3.793 -2.769 -6.101 255 HA THR 33 HA THR 33 3.027 -0.867 -4.056 256 HB THR 33 HB THR 33 3.775 -3.809 -3.940 257 HG1 THR 33 HG1 THR 33 1.511 -4.066 -4.084 258 1HG2 THR 33 HG21 THR 33 2.799 -1.880 -1.913 259 2HG2 THR 33 HG22 THR 33 3.705 -3.378 -1.699 260 3HG2 THR 33 HG23 THR 33 1.960 -3.431 -1.954 261 H ALA 34 HN ALA 34 5.950 -2.798 -4.682 262 HA ALA 34 HA ALA 34 7.404 -2.105 -2.320 263 1HB ALA 34 HB1 ALA 34 8.312 -2.801 -5.134 264 2HB ALA 34 HB2 ALA 34 7.974 -3.953 -3.842 265 3HB ALA 34 HB3 ALA 34 9.343 -2.850 -3.704 266 H ARG 35 HN ARG 35 7.132 -0.500 -5.499 267 HA ARG 35 HA ARG 35 9.149 1.503 -5.043 268 1HB ARG 35 HB2 ARG 35 8.077 0.847 -7.238 269 2HB ARG 35 HB1 ARG 35 6.616 1.683 -6.711 270 1HG ARG 35 HG2 ARG 35 8.237 3.704 -6.305 271 2HG ARG 35 HG1 ARG 35 9.310 2.833 -7.401 272 1HD ARG 35 HD2 ARG 35 8.135 3.652 -9.155 273 2HD ARG 35 HD1 ARG 35 6.695 2.801 -8.564 274 HE ARG 35 HE ARG 35 6.780 4.982 -6.906 275 1HH1 ARG 35 HH21 ARG 35 8.356 6.406 -9.035 276 2HH1 ARG 35 HH22 ARG 35 7.103 7.151 -9.971 277 1HH2 ARG 35 HH11 ARG 35 4.577 5.156 -8.658 278 2HH2 ARG 35 HH12 ARG 35 4.955 6.440 -9.756 279 H LEU 36 HN LEU 36 5.629 1.444 -4.473 280 HA LEU 36 HA LEU 36 5.416 4.141 -3.471 281 1HB LEU 36 HB2 LEU 36 3.668 2.314 -4.278 282 2HB LEU 36 HB1 LEU 36 3.642 1.894 -2.565 283 HG LEU 36 HG LEU 36 3.402 4.781 -3.331 284 1HD1 LEU 36 HD11 LEU 36 1.774 3.809 -4.808 285 2HD1 LEU 36 HD12 LEU 36 0.891 4.419 -3.409 286 3HD1 LEU 36 HD13 LEU 36 1.220 2.693 -3.561 287 1HD2 LEU 36 HD21 LEU 36 2.580 2.963 -1.080 288 2HD2 LEU 36 HD22 LEU 36 1.714 4.479 -1.330 289 3HD2 LEU 36 HD23 LEU 36 3.448 4.496 -1.010 290 H CYS 37 HN CYS 37 5.977 0.987 -1.901 291 HA CYS 37 HA CYS 37 5.852 1.890 0.819 292 1HB CYS 37 HB2 CYS 37 6.766 -0.455 -0.730 293 2HB CYS 37 HB1 CYS 37 7.606 -0.222 0.799 294 H CYS 38 HN CYS 38 8.402 2.012 -1.618 295 HA CYS 38 HA CYS 38 10.469 2.799 0.338 296 1HB CYS 38 HB2 CYS 38 11.074 1.370 -1.523 297 2HB CYS 38 HB1 CYS 38 10.348 2.483 -2.678 298 H PHE 39 HN PHE 39 8.484 4.249 -2.218 299 HA PHE 39 HA PHE 39 9.713 6.862 -2.159 300 1HB PHE 39 HB2 PHE 39 8.563 6.282 -4.121 301 2HB PHE 39 HB1 PHE 39 7.197 5.610 -3.236 302 HD1 PHE 39 HD1 PHE 39 5.302 6.934 -2.729 303 HD2 PHE 39 HD2 PHE 39 8.936 8.818 -4.036 304 HE1 PHE 39 HE1 PHE 39 4.113 9.102 -2.908 305 HE2 PHE 39 HE2 PHE 39 7.746 10.986 -4.215 306 HZ PHE 39 HZ PHE 39 5.335 11.128 -3.651 307 H ARG 40 HN ARG 40 6.843 5.481 -0.541 308 HA ARG 40 HA ARG 40 6.359 8.087 0.807 309 1HB ARG 40 HB2 ARG 40 4.837 5.662 0.083 310 2HB ARG 40 HB1 ARG 40 4.399 6.367 1.636 311 1HG ARG 40 HG2 ARG 40 4.742 8.456 -0.334 312 2HG ARG 40 HG1 ARG 40 3.595 7.252 -0.920 313 1HD ARG 40 HD2 ARG 40 2.090 8.444 0.340 314 2HD ARG 40 HD1 ARG 40 2.783 7.530 1.692 315 HE ARG 40 HE ARG 40 3.874 10.195 0.850 316 1HH1 ARG 40 HH21 ARG 40 5.502 8.785 2.839 317 2HH1 ARG 40 HH22 ARG 40 4.854 9.327 4.350 318 1HH2 ARG 40 HH11 ARG 40 1.899 10.515 2.953 319 2HH2 ARG 40 HH12 ARG 40 2.806 10.314 4.415 320 H TYR 41 HN TYR 41 6.678 4.635 1.789 321 HA TYR 41 HA TYR 41 6.991 5.407 4.599 322 1HB TYR 41 HB2 TYR 41 7.127 2.807 3.066 323 2HB TYR 41 HB1 TYR 41 7.319 2.899 4.813 324 HD1 TYR 41 HD1 TYR 41 5.438 3.252 6.259 325 HD2 TYR 41 HD2 TYR 41 4.987 3.509 1.994 326 HE1 TYR 41 HE1 TYR 41 2.974 3.270 6.522 327 HE2 TYR 41 HE2 TYR 41 2.521 3.533 2.256 328 HH TYR 41 HH TYR 41 0.840 2.806 3.912 329 H GLY 42 HN GLY 42 9.108 4.207 2.008 330 1HA GLY 42 HA2 GLY 42 11.440 4.865 1.894 331 2HA GLY 42 HA1 GLY 42 11.439 5.070 3.641 332 H ASP 43 HN ASP 43 9.834 2.196 2.684 333 HA ASP 43 HA ASP 43 12.244 0.602 3.453 334 1HB ASP 43 HB2 ASP 43 9.341 -0.249 3.490 335 2HB ASP 43 HB1 ASP 43 10.685 -0.995 4.335 336 H CYS 44 HN CYS 44 12.508 -1.483 2.333 337 HA CYS 44 HA CYS 44 12.661 -2.823 0.392 338 1HB CYS 44 HB2 CYS 44 10.112 -1.466 -0.499 339 2HB CYS 44 HB1 CYS 44 10.642 -3.099 -0.856 340 H CYS 45 HN CYS 45 13.987 -0.273 0.446 341 HA CYS 45 HA CYS 45 13.573 0.975 -2.199 342 1HB CYS 45 HB2 CYS 45 15.329 1.476 0.216 343 2HB CYS 45 HB1 CYS 45 15.488 2.418 -1.264 344 H HIS 46 HN HIS 46 16.446 -0.273 -0.455 345 HA HIS 46 HA HIS 46 17.765 -0.847 -3.046 346 1HB HIS 46 HB2 HIS 46 18.570 -0.712 -0.139 347 2HB HIS 46 HB1 HIS 46 19.653 -1.419 -1.338 348 HD1 HIS 46 HD1 HIS 46 20.530 0.174 -3.245 349 HD2 HIS 46 HD2 HIS 46 18.334 2.098 -0.269 350 HE1 HIS 46 HE1 HIS 46 20.944 2.656 -3.540 351 H LEU 47 HN LEU 47 15.875 -2.586 -3.189 352 HA LEU 47 HA LEU 47 16.242 -5.031 -1.621 353 1HB LEU 47 HB2 LEU 47 14.218 -3.843 -3.055 354 2HB LEU 47 HB1 LEU 47 14.732 -5.119 -4.158 355 HG LEU 47 HG LEU 47 14.650 -6.650 -2.050 356 1HD1 LEU 47 HD11 LEU 47 12.490 -4.842 -1.094 357 2HD1 LEU 47 HD12 LEU 47 14.143 -4.342 -0.739 358 3HD1 LEU 47 HD13 LEU 47 13.555 -5.906 -0.176 359 1HD2 LEU 47 HD21 LEU 47 12.093 -5.543 -3.256 360 2HD2 LEU 47 HD22 LEU 47 12.272 -7.114 -2.474 361 3HD2 LEU 47 HD23 LEU 47 13.106 -6.785 -3.992 Start of MODEL 17 1 1H HIS 1 HT1 HIS 1 -16.382 -9.913 -12.732 2 2H HIS 1 HT2 HIS 1 -17.853 -10.116 -11.905 3 3H HIS 1 HT3 HIS 1 -16.959 -8.683 -11.717 4 HA HIS 1 HA HIS 1 -17.308 -8.180 -14.106 5 1HB HIS 1 HB2 HIS 1 -18.821 -10.778 -13.770 6 2HB HIS 1 HB1 HIS 1 -19.190 -9.668 -15.089 7 HD1 HIS 1 HD1 HIS 1 -17.095 -9.066 -16.704 8 HD2 HIS 1 HD2 HIS 1 -16.595 -12.384 -14.228 9 HE1 HIS 1 HE1 HIS 1 -15.140 -10.373 -17.643 10 H SER 2 HN SER 2 -19.237 -6.933 -14.700 11 HA SER 2 HA SER 2 -21.113 -5.586 -14.233 12 1HB SER 2 HB2 SER 2 -21.732 -7.899 -12.366 13 2HB SER 2 HB1 SER 2 -22.885 -6.690 -12.918 14 HG SER 2 HG SER 2 -23.106 -7.825 -14.661 15 H SER 3 HN SER 3 -22.260 -4.452 -12.312 16 HA SER 3 HA SER 3 -20.661 -4.281 -9.830 17 1HB SER 3 HB2 SER 3 -20.328 -1.800 -10.247 18 2HB SER 3 HB1 SER 3 -19.411 -2.851 -11.322 19 HG SER 3 HG SER 3 -20.502 -1.194 -12.464 20 H GLY 4 HN GLY 4 -21.801 -3.121 -8.150 21 1HA GLY 4 HA2 GLY 4 -24.128 -1.576 -8.415 22 2HA GLY 4 HA1 GLY 4 -24.673 -3.251 -8.325 23 H TYR 5 HN TYR 5 -25.498 -3.398 -6.274 24 HA TYR 5 HA TYR 5 -25.567 -3.432 -3.920 25 1HB TYR 5 HB2 TYR 5 -23.383 -4.743 -4.768 26 2HB TYR 5 HB1 TYR 5 -22.576 -3.457 -3.873 27 HD1 TYR 5 HD1 TYR 5 -24.661 -6.450 -3.639 28 HD2 TYR 5 HD2 TYR 5 -23.007 -3.147 -1.445 29 HE1 TYR 5 HE1 TYR 5 -25.166 -7.612 -1.508 30 HE2 TYR 5 HE2 TYR 5 -23.513 -4.309 0.686 31 HH TYR 5 HH TYR 5 -23.923 -7.277 1.105 32 H THR 6 HN THR 6 -26.264 -1.120 -4.040 33 HA THR 6 HA THR 6 -24.236 0.951 -3.496 34 HB THR 6 HB THR 6 -27.265 1.134 -3.431 35 HG1 THR 6 HG1 THR 6 -25.486 1.356 -5.633 36 1HG2 THR 6 HG21 THR 6 -26.864 3.465 -4.051 37 2HG2 THR 6 HG22 THR 6 -25.127 3.170 -4.120 38 3HG2 THR 6 HG23 THR 6 -25.976 3.081 -2.576 39 H ARG 7 HN ARG 7 -23.504 -0.148 -1.437 40 HA ARG 7 HA ARG 7 -25.015 0.925 0.868 41 1HB ARG 7 HB2 ARG 7 -25.138 -1.792 -0.036 42 2HB ARG 7 HB1 ARG 7 -24.292 -1.764 1.510 43 1HG ARG 7 HG2 ARG 7 -26.744 -0.088 1.299 44 2HG ARG 7 HG1 ARG 7 -26.978 -1.836 1.339 45 1HD ARG 7 HD2 ARG 7 -25.278 -1.718 3.368 46 2HD ARG 7 HD1 ARG 7 -25.836 -0.035 3.455 47 HE ARG 7 HE ARG 7 -28.121 -0.858 3.761 48 1HH1 ARG 7 HH11 ARG 7 -28.076 -3.446 2.380 49 2HH1 ARG 7 HH12 ARG 7 -27.975 -4.591 3.675 50 1HH2 ARG 7 HH21 ARG 7 -26.930 -2.244 6.017 51 2HH2 ARG 7 HH22 ARG 7 -27.322 -3.908 5.741 52 HA PRO 8 HA PRO 8 -20.370 1.026 1.199 53 1HB PRO 8 HB2 PRO 8 -20.153 3.731 1.540 54 2HB PRO 8 HB1 PRO 8 -20.165 2.956 -0.056 55 1HG PRO 8 HG2 PRO 8 -22.341 4.391 1.368 56 2HG PRO 8 HG1 PRO 8 -21.956 4.348 -0.359 57 1HD PRO 8 HD2 PRO 8 -23.979 2.904 0.820 58 2HD PRO 8 HD1 PRO 8 -23.194 2.466 -0.710 59 H LEU 9 HN LEU 9 -19.533 0.705 3.236 60 HA LEU 9 HA LEU 9 -21.157 1.240 5.602 61 1HB LEU 9 HB2 LEU 9 -19.272 -0.600 4.858 62 2HB LEU 9 HB1 LEU 9 -18.312 0.463 5.886 63 HG LEU 9 HG LEU 9 -20.471 0.253 7.459 64 1HD1 LEU 9 HD11 LEU 9 -20.364 -2.492 6.208 65 2HD1 LEU 9 HD12 LEU 9 -21.493 -1.267 5.628 66 3HD1 LEU 9 HD13 LEU 9 -21.581 -1.828 7.298 67 1HD2 LEU 9 HD21 LEU 9 -18.311 -1.869 7.215 68 2HD2 LEU 9 HD22 LEU 9 -19.281 -1.553 8.653 69 3HD2 LEU 9 HD23 LEU 9 -18.146 -0.335 8.070 70 H ARG 10 HN ARG 10 -21.298 3.527 5.836 71 HA ARG 10 HA ARG 10 -18.994 5.287 5.722 72 1HB ARG 10 HB2 ARG 10 -21.841 5.482 6.732 73 2HB ARG 10 HB1 ARG 10 -20.724 6.841 6.845 74 1HG ARG 10 HG2 ARG 10 -20.672 5.642 4.190 75 2HG ARG 10 HG1 ARG 10 -22.296 6.169 4.629 76 1HD ARG 10 HD2 ARG 10 -21.572 8.225 3.922 77 2HD ARG 10 HD1 ARG 10 -20.761 8.293 5.499 78 HE ARG 10 HE ARG 10 -19.400 7.110 3.106 79 1HH1 ARG 10 HH11 ARG 10 -19.151 10.105 3.600 80 2HH1 ARG 10 HH12 ARG 10 -17.665 10.181 4.485 81 1HH2 ARG 10 HH21 ARG 10 -17.632 6.786 5.229 82 2HH2 ARG 10 HH22 ARG 10 -16.800 8.294 5.410 83 H LYS 11 HN LYS 11 -17.380 5.077 7.249 84 HA LYS 11 HA LYS 11 -18.163 5.067 10.121 85 1HB LYS 11 HB2 LYS 11 -17.741 2.737 9.181 86 2HB LYS 11 HB1 LYS 11 -16.069 3.235 8.920 87 1HG LYS 11 HG2 LYS 11 -15.609 2.733 11.063 88 2HG LYS 11 HG1 LYS 11 -16.742 3.982 11.578 89 1HD LYS 11 HD2 LYS 11 -17.679 1.225 10.773 90 2HD LYS 11 HD1 LYS 11 -17.184 1.591 12.426 91 1HE LYS 11 HE2 LYS 11 -18.899 3.294 12.638 92 2HE LYS 11 HE1 LYS 11 -19.314 3.151 10.918 93 1HZ LYS 11 HZ1 LYS 11 -19.870 0.822 11.281 94 2HZ LYS 11 HZ2 LYS 11 -20.810 1.819 12.285 95 3HZ LYS 11 HZ3 LYS 11 -19.491 0.964 12.928 96 HA PRO 12 HA PRO 12 -14.904 8.116 9.907 97 1HB PRO 12 HB2 PRO 12 -15.064 8.923 12.517 98 2HB PRO 12 HB1 PRO 12 -16.223 9.437 11.276 99 1HG PRO 12 HG2 PRO 12 -16.508 7.380 13.393 100 2HG PRO 12 HG1 PRO 12 -17.713 8.491 12.724 101 1HD PRO 12 HD2 PRO 12 -17.497 5.827 12.064 102 2HD PRO 12 HD1 PRO 12 -18.275 7.059 11.050 103 H SER 13 HN SER 13 -13.060 8.609 11.796 104 HA SER 13 HA SER 13 -11.037 7.782 12.693 105 1HB SER 13 HB2 SER 13 -13.068 7.003 14.199 106 2HB SER 13 HB1 SER 13 -12.617 5.404 13.620 107 HG SER 13 HG SER 13 -11.441 5.805 15.461 108 H ARG 14 HN ARG 14 -11.162 7.212 10.033 109 HA ARG 14 HA ARG 14 -10.962 4.394 9.385 110 1HB ARG 14 HB2 ARG 14 -10.267 7.002 8.024 111 2HB ARG 14 HB1 ARG 14 -9.958 5.450 7.250 112 1HG ARG 14 HG2 ARG 14 -12.676 6.136 8.374 113 2HG ARG 14 HG1 ARG 14 -12.215 6.589 6.733 114 1HD ARG 14 HD2 ARG 14 -11.727 3.750 7.550 115 2HD ARG 14 HD1 ARG 14 -13.402 4.240 7.231 116 HE ARG 14 HE ARG 14 -12.626 5.051 4.993 117 1HH1 ARG 14 HH11 ARG 14 -12.326 2.153 4.801 118 2HH1 ARG 14 HH12 ARG 14 -10.672 1.943 4.329 119 1HH2 ARG 14 HH21 ARG 14 -9.728 5.157 5.264 120 2HH2 ARG 14 HH22 ARG 14 -9.193 3.651 4.598 121 HA PRO 15 HA PRO 15 -6.739 3.661 10.450 122 1HB PRO 15 HB2 PRO 15 -6.110 1.727 8.626 123 2HB PRO 15 HB1 PRO 15 -7.161 1.429 10.024 124 1HG PRO 15 HG2 PRO 15 -7.883 1.890 7.178 125 2HG PRO 15 HG1 PRO 15 -8.613 0.802 8.367 126 1HD PRO 15 HD2 PRO 15 -9.685 3.212 7.639 127 2HD PRO 15 HD1 PRO 15 -9.976 2.426 9.206 128 H ILE 16 HN ILE 16 -4.541 3.260 9.124 129 HA ILE 16 HA ILE 16 -3.793 5.685 7.866 130 HB ILE 16 HB ILE 16 -1.774 4.379 7.175 131 1HG1 ILE 16 HG12 ILE 16 -3.162 1.975 8.386 132 2HG1 ILE 16 HG11 ILE 16 -3.173 2.285 6.651 133 1HG2 ILE 16 HG21 ILE 16 -1.020 3.943 9.387 134 2HG2 ILE 16 HG22 ILE 16 -2.644 3.543 9.946 135 3HG2 ILE 16 HG23 ILE 16 -2.232 5.213 9.558 136 1HD1 ILE 16 HD11 ILE 16 -1.323 0.778 7.223 137 2HD1 ILE 16 HD12 ILE 16 -0.706 1.953 8.385 138 3HD1 ILE 16 HD13 ILE 16 -0.689 2.325 6.661 139 H PHE 17 HN PHE 17 -2.963 5.880 5.561 140 HA PHE 17 HA PHE 17 -5.012 5.564 3.643 141 1HB PHE 17 HB2 PHE 17 -2.057 6.078 3.606 142 2HB PHE 17 HB1 PHE 17 -2.892 5.827 2.076 143 HD1 PHE 17 HD1 PHE 17 -4.859 7.289 1.475 144 HD2 PHE 17 HD2 PHE 17 -2.306 8.117 4.830 145 HE1 PHE 17 HE1 PHE 17 -5.710 9.616 1.549 146 HE2 PHE 17 HE2 PHE 17 -3.157 10.444 4.902 147 HZ PHE 17 HZ PHE 17 -4.859 11.194 3.262 148 H ILE 18 HN ILE 18 -5.150 4.158 1.792 149 HA ILE 18 HA ILE 18 -4.356 1.375 2.362 150 HB ILE 18 HB ILE 18 -5.888 0.893 0.465 151 1HG1 ILE 18 HG12 ILE 18 -6.078 3.921 0.283 152 2HG1 ILE 18 HG11 ILE 18 -5.376 2.857 -0.929 153 1HG2 ILE 18 HG21 ILE 18 -7.878 1.472 1.600 154 2HG2 ILE 18 HG22 ILE 18 -7.198 2.981 2.207 155 3HG2 ILE 18 HG23 ILE 18 -6.659 1.440 2.875 156 1HD1 ILE 18 HD11 ILE 18 -8.023 1.928 -0.281 157 2HD1 ILE 18 HD12 ILE 18 -7.399 2.484 -1.834 158 3HD1 ILE 18 HD13 ILE 18 -8.088 3.641 -0.695 159 H ARG 19 HN ARG 19 -2.024 2.387 1.968 160 HA ARG 19 HA ARG 19 -1.040 2.943 -0.628 161 1HB ARG 19 HB2 ARG 19 1.009 2.910 0.441 162 2HB ARG 19 HB1 ARG 19 -0.037 2.979 1.853 163 1HG ARG 19 HG2 ARG 19 0.873 0.339 0.690 164 2HG ARG 19 HG1 ARG 19 1.849 1.223 1.859 165 1HD ARG 19 HD2 ARG 19 -0.502 1.298 3.173 166 2HD ARG 19 HD1 ARG 19 -0.730 -0.213 2.269 167 HE ARG 19 HE ARG 19 1.412 -1.018 3.240 168 1HH1 ARG 19 HH11 ARG 19 1.962 2.013 4.040 169 2HH1 ARG 19 HH12 ARG 19 1.951 1.839 5.762 170 1HH2 ARG 19 HH21 ARG 19 0.563 -1.347 5.696 171 2HH2 ARG 19 HH22 ARG 19 1.158 -0.071 6.705 172 HA PRO 20 HA PRO 20 -1.189 -0.895 -2.740 173 1HB PRO 20 HB2 PRO 20 0.981 -0.622 -4.395 174 2HB PRO 20 HB1 PRO 20 -0.550 0.242 -4.639 175 1HG PRO 20 HG2 PRO 20 1.992 1.209 -3.430 176 2HG PRO 20 HG1 PRO 20 0.863 2.046 -4.503 177 1HD PRO 20 HD2 PRO 20 0.941 2.462 -1.820 178 2HD PRO 20 HD1 PRO 20 -0.535 2.638 -2.790 179 H ILE 21 HN ILE 21 0.098 -2.882 -3.145 180 HA ILE 21 HA ILE 21 1.679 -3.630 -0.822 181 HB ILE 21 HB ILE 21 0.449 -4.884 -3.240 182 1HG1 ILE 21 HG12 ILE 21 -0.742 -4.595 -1.077 183 2HG1 ILE 21 HG11 ILE 21 -0.590 -6.284 -1.545 184 1HG2 ILE 21 HG21 ILE 21 2.516 -6.302 -1.528 185 2HG2 ILE 21 HG22 ILE 21 2.702 -5.890 -3.233 186 3HG2 ILE 21 HG23 ILE 21 1.485 -7.065 -2.737 187 1HD1 ILE 21 HD11 ILE 21 1.594 -6.229 -0.103 188 2HD1 ILE 21 HD12 ILE 21 0.036 -6.334 0.715 189 3HD1 ILE 21 HD13 ILE 21 0.875 -4.787 0.614 190 H GLY 22 HN GLY 22 3.755 -4.858 -1.144 191 1HA GLY 22 HA2 GLY 22 5.802 -5.242 -2.415 192 2HA GLY 22 HA1 GLY 22 5.427 -3.814 -3.375 193 H CYS 23 HN CYS 23 5.100 -1.797 -1.807 194 HA CYS 23 HA CYS 23 7.663 -1.202 -0.656 195 1HB CYS 23 HB2 CYS 23 4.966 0.053 -0.886 196 2HB CYS 23 HB1 CYS 23 6.079 0.755 0.281 197 H ASP 24 HN ASP 24 4.661 -2.400 0.759 198 HA ASP 24 HA ASP 24 5.597 -1.968 3.516 199 1HB ASP 24 HB2 ASP 24 3.178 -2.055 2.336 200 2HB ASP 24 HB1 ASP 24 3.297 -3.739 2.840 201 H VAL 25 HN VAL 25 6.784 -4.001 1.338 202 HA VAL 25 HA VAL 25 7.170 -6.206 3.291 203 HB VAL 25 HB VAL 25 6.691 -6.589 0.316 204 1HG1 VAL 25 HG11 VAL 25 7.109 -8.359 2.687 205 2HG1 VAL 25 HG12 VAL 25 7.674 -8.552 1.028 206 3HG1 VAL 25 HG13 VAL 25 5.997 -8.914 1.435 207 1HG2 VAL 25 HG21 VAL 25 4.740 -6.580 2.628 208 2HG2 VAL 25 HG22 VAL 25 4.418 -7.492 1.153 209 3HG2 VAL 25 HG23 VAL 25 4.606 -5.740 1.082 210 H CYS 26 HN CYS 26 9.078 -4.449 3.271 211 HA CYS 26 HA CYS 26 11.033 -4.201 1.301 212 1HB CYS 26 HB2 CYS 26 11.234 -4.529 4.307 213 2HB CYS 26 HB1 CYS 26 12.601 -4.040 3.313 214 H TYR 27 HN TYR 27 10.297 -7.050 3.223 215 HA TYR 27 HA TYR 27 12.736 -8.427 2.196 216 1HB TYR 27 HB2 TYR 27 10.798 -9.533 4.221 217 2HB TYR 27 HB1 TYR 27 12.523 -9.843 4.069 218 HD1 TYR 27 HD1 TYR 27 10.061 -8.041 5.859 219 HD2 TYR 27 HD2 TYR 27 14.083 -7.712 4.380 220 HE1 TYR 27 HE1 TYR 27 10.522 -6.249 7.509 221 HE2 TYR 27 HE2 TYR 27 14.541 -5.919 6.032 222 HH TYR 27 HH TYR 27 13.473 -5.296 8.415 223 H GLY 28 HN GLY 28 12.463 -9.798 0.495 224 1HA GLY 28 HA2 GLY 28 11.273 -11.803 -0.368 225 2HA GLY 28 HA1 GLY 28 9.762 -11.012 0.073 226 H ILE 29 HN ILE 29 10.745 -8.367 -0.953 227 HA ILE 29 HA ILE 29 9.969 -8.799 -3.753 228 HB ILE 29 HB ILE 29 9.870 -6.356 -3.815 229 1HG1 ILE 29 HG12 ILE 29 11.080 -6.417 -1.031 230 2HG1 ILE 29 HG11 ILE 29 11.966 -5.978 -2.492 231 1HG2 ILE 29 HG21 ILE 29 8.014 -7.569 -2.732 232 2HG2 ILE 29 HG22 ILE 29 8.257 -5.983 -2.001 233 3HG2 ILE 29 HG23 ILE 29 8.835 -7.432 -1.178 234 1HD1 ILE 29 HD11 ILE 29 10.093 -4.240 -2.877 235 2HD1 ILE 29 HD12 ILE 29 11.264 -3.901 -1.603 236 3HD1 ILE 29 HD13 ILE 29 9.666 -4.521 -1.189 237 HA PRO 30 HA PRO 30 13.967 -8.603 -5.504 238 1HB PRO 30 HB2 PRO 30 13.476 -7.242 -7.834 239 2HB PRO 30 HB1 PRO 30 13.007 -8.932 -7.562 240 1HG PRO 30 HG2 PRO 30 11.355 -6.484 -7.528 241 2HG PRO 30 HG1 PRO 30 10.923 -8.132 -7.987 242 1HD PRO 30 HD2 PRO 30 10.267 -6.921 -5.579 243 2HD PRO 30 HD1 PRO 30 10.274 -8.668 -5.877 244 H SER 31 HN SER 31 15.773 -7.205 -5.907 245 HA SER 31 HA SER 31 15.968 -4.876 -4.301 246 1HB SER 31 HB2 SER 31 17.709 -6.503 -5.434 247 2HB SER 31 HB1 SER 31 17.684 -5.308 -6.728 248 HG SER 31 HG SER 31 19.196 -5.101 -4.777 249 H SER 32 HN SER 32 15.305 -5.176 -7.803 250 HA SER 32 HA SER 32 15.469 -2.388 -8.436 251 1HB SER 32 HB2 SER 32 15.316 -4.510 -9.933 252 2HB SER 32 HB1 SER 32 13.574 -4.364 -9.718 253 HG SER 32 HG SER 32 15.393 -2.597 -10.958 254 H THR 33 HN THR 33 12.680 -4.417 -7.466 255 HA THR 33 HA THR 33 10.752 -2.259 -7.517 256 HB THR 33 HB THR 33 10.860 -4.885 -5.992 257 HG1 THR 33 HG1 THR 33 9.549 -4.193 -8.416 258 1HG2 THR 33 HG21 THR 33 8.224 -4.406 -6.364 259 2HG2 THR 33 HG22 THR 33 8.806 -2.750 -6.198 260 3HG2 THR 33 HG23 THR 33 9.093 -3.918 -4.909 261 H ALA 34 HN ALA 34 12.807 -3.695 -4.990 262 HA ALA 34 HA ALA 34 11.854 -2.160 -2.775 263 1HB ALA 34 HB1 ALA 34 13.949 -2.904 -1.743 264 2HB ALA 34 HB2 ALA 34 14.636 -3.248 -3.330 265 3HB ALA 34 HB3 ALA 34 13.293 -4.216 -2.722 266 H ARG 35 HN ARG 35 14.445 -1.526 -5.159 267 HA ARG 35 HA ARG 35 15.444 0.893 -3.986 268 1HB ARG 35 HB2 ARG 35 15.382 -0.296 -6.764 269 2HB ARG 35 HB1 ARG 35 16.047 1.313 -6.502 270 1HG ARG 35 HG2 ARG 35 17.432 0.213 -4.604 271 2HG ARG 35 HG1 ARG 35 17.015 -1.313 -5.383 272 1HD ARG 35 HD2 ARG 35 19.177 -0.489 -6.245 273 2HD ARG 35 HD1 ARG 35 17.958 -0.427 -7.533 274 HE ARG 35 HE ARG 35 17.975 2.036 -6.011 275 1HH1 ARG 35 HH21 ARG 35 17.756 1.698 -9.036 276 2HH1 ARG 35 HH22 ARG 35 19.229 2.441 -9.563 277 1HH2 ARG 35 HH11 ARG 35 20.700 2.364 -6.414 278 2HH2 ARG 35 HH12 ARG 35 20.903 2.820 -8.072 279 H LEU 36 HN LEU 36 12.865 0.330 -6.395 280 HA LEU 36 HA LEU 36 12.185 3.083 -6.858 281 1HB LEU 36 HB2 LEU 36 11.567 0.905 -8.115 282 2HB LEU 36 HB1 LEU 36 10.293 0.721 -6.911 283 HG LEU 36 HG LEU 36 10.446 3.410 -8.124 284 1HD1 LEU 36 HD11 LEU 36 9.357 2.680 -10.226 285 2HD1 LEU 36 HD12 LEU 36 9.608 0.996 -9.764 286 3HD1 LEU 36 HD13 LEU 36 10.994 2.037 -10.093 287 1HD2 LEU 36 HD21 LEU 36 8.663 2.296 -6.559 288 2HD2 LEU 36 HD22 LEU 36 8.076 1.550 -8.045 289 3HD2 LEU 36 HD23 LEU 36 8.109 3.307 -7.894 290 H CYS 37 HN CYS 37 11.036 0.674 -4.508 291 HA CYS 37 HA CYS 37 8.913 2.192 -3.340 292 1HB CYS 37 HB2 CYS 37 10.562 -0.191 -2.763 293 2HB CYS 37 HB1 CYS 37 9.894 0.597 -1.338 294 H CYS 38 HN CYS 38 12.411 2.207 -2.780 295 HA CYS 38 HA CYS 38 12.227 3.851 -0.354 296 1HB CYS 38 HB2 CYS 38 14.014 2.240 -0.606 297 2HB CYS 38 HB1 CYS 38 14.467 2.908 -2.171 298 H PHE 39 HN PHE 39 13.026 4.311 -3.783 299 HA PHE 39 HA PHE 39 13.821 7.071 -3.603 300 1HB PHE 39 HB2 PHE 39 14.534 5.891 -5.497 301 2HB PHE 39 HB1 PHE 39 12.962 5.137 -5.740 302 HD1 PHE 39 HD1 PHE 39 14.439 8.596 -5.606 303 HD2 PHE 39 HD2 PHE 39 11.672 5.916 -7.508 304 HE1 PHE 39 HE1 PHE 39 13.829 10.373 -7.224 305 HE2 PHE 39 HE2 PHE 39 11.064 7.693 -9.125 306 HZ PHE 39 HZ PHE 39 12.141 9.922 -8.984 307 H ARG 40 HN ARG 40 10.675 5.508 -4.178 308 HA ARG 40 HA ARG 40 9.408 8.184 -4.497 309 1HB ARG 40 HB2 ARG 40 8.774 5.345 -5.188 310 2HB ARG 40 HB1 ARG 40 7.427 6.460 -4.971 311 1HG ARG 40 HG2 ARG 40 9.783 7.164 -6.720 312 2HG ARG 40 HG1 ARG 40 8.413 6.250 -7.348 313 1HD ARG 40 HD2 ARG 40 7.026 8.077 -7.327 314 2HD ARG 40 HD1 ARG 40 7.712 8.700 -5.813 315 HE ARG 40 HE ARG 40 9.721 9.403 -7.182 316 1HH1 ARG 40 HH11 ARG 40 8.686 7.896 -9.664 317 2HH1 ARG 40 HH12 ARG 40 8.139 9.220 -10.637 318 1HH2 ARG 40 HH21 ARG 40 8.156 11.495 -8.007 319 2HH2 ARG 40 HH22 ARG 40 7.837 11.268 -9.694 320 H TYR 41 HN TYR 41 8.636 5.151 -2.715 321 HA TYR 41 HA TYR 41 6.847 6.579 -0.903 322 1HB TYR 41 HB2 TYR 41 7.936 3.766 -1.069 323 2HB TYR 41 HB1 TYR 41 6.789 4.271 0.167 324 HD1 TYR 41 HD1 TYR 41 4.470 4.610 -0.343 325 HD2 TYR 41 HD2 TYR 41 7.301 3.853 -3.484 326 HE1 TYR 41 HE1 TYR 41 2.604 4.270 -1.941 327 HE2 TYR 41 HE2 TYR 41 5.437 3.517 -5.084 328 HH TYR 41 HH TYR 41 3.107 2.975 -5.110 329 H GLY 42 HN GLY 42 10.118 5.208 -0.673 330 1HA GLY 42 HA2 GLY 42 11.798 6.213 0.763 331 2HA GLY 42 HA1 GLY 42 10.513 6.799 1.810 332 H ASP 43 HN ASP 43 9.990 3.557 0.838 333 HA ASP 43 HA ASP 43 10.946 2.605 3.508 334 1HB ASP 43 HB2 ASP 43 8.948 1.269 1.672 335 2HB ASP 43 HB1 ASP 43 9.164 1.015 3.396 336 H CYS 44 HN CYS 44 11.909 0.454 3.582 337 HA CYS 44 HA CYS 44 13.396 -1.224 2.842 338 1HB CYS 44 HB2 CYS 44 12.274 -0.641 0.093 339 2HB CYS 44 HB1 CYS 44 12.941 -2.157 0.672 340 H CYS 45 HN CYS 45 14.380 1.419 3.082 341 HA CYS 45 HA CYS 45 15.983 2.057 0.695 342 1HB CYS 45 HB2 CYS 45 15.571 3.207 3.458 343 2HB CYS 45 HB1 CYS 45 16.811 3.842 2.382 344 H HIS 46 HN HIS 46 16.750 1.392 4.133 345 HA HIS 46 HA HIS 46 19.311 0.132 3.229 346 1HB HIS 46 HB2 HIS 46 19.388 2.423 4.364 347 2HB HIS 46 HB1 HIS 46 18.817 1.614 5.824 348 HD1 HIS 46 HD1 HIS 46 20.386 -0.575 6.521 349 HD2 HIS 46 HD2 HIS 46 22.137 2.343 4.111 350 HE1 HIS 46 HE1 HIS 46 22.890 -0.904 6.702 351 H LEU 47 HN LEU 47 18.968 -2.045 3.506 352 HA LEU 47 HA LEU 47 17.316 -3.062 5.735 353 1HB LEU 47 HB2 LEU 47 17.850 -3.825 3.128 354 2HB LEU 47 HB1 LEU 47 18.822 -4.960 4.064 355 HG LEU 47 HG LEU 47 16.085 -4.501 5.097 356 1HD1 LEU 47 HD11 LEU 47 15.273 -6.242 3.342 357 2HD1 LEU 47 HD12 LEU 47 16.639 -5.680 2.379 358 3HD1 LEU 47 HD13 LEU 47 15.371 -4.550 2.854 359 1HD2 LEU 47 HD21 LEU 47 17.862 -6.186 5.886 360 2HD2 LEU 47 HD22 LEU 47 17.498 -7.087 4.415 361 3HD2 LEU 47 HD23 LEU 47 16.239 -6.821 5.619 Start of MODEL 18 1 1H HIS 1 HT1 HIS 1 -22.825 -18.274 -0.174 2 2H HIS 1 HT2 HIS 1 -22.018 -16.802 -0.441 3 3H HIS 1 HT3 HIS 1 -21.365 -18.252 -1.036 4 HA HIS 1 HA HIS 1 -23.011 -18.471 -2.686 5 1HB HIS 1 HB2 HIS 1 -25.080 -17.235 -2.575 6 2HB HIS 1 HB1 HIS 1 -24.778 -17.864 -0.958 7 HD1 HIS 1 HD1 HIS 1 -25.110 -14.705 -2.877 8 HD2 HIS 1 HD2 HIS 1 -23.863 -15.848 0.934 9 HE1 HIS 1 HE1 HIS 1 -25.005 -12.588 -1.492 10 H SER 2 HN SER 2 -23.392 -16.964 -4.582 11 HA SER 2 HA SER 2 -22.642 -15.304 -6.085 12 1HB SER 2 HB2 SER 2 -23.363 -14.027 -3.858 13 2HB SER 2 HB1 SER 2 -21.637 -13.691 -3.768 14 HG SER 2 HG SER 2 -22.617 -12.081 -4.968 15 H SER 3 HN SER 3 -20.534 -13.942 -6.557 16 HA SER 3 HA SER 3 -18.061 -15.100 -5.429 17 1HB SER 3 HB2 SER 3 -19.372 -16.068 -7.828 18 2HB SER 3 HB1 SER 3 -17.781 -15.423 -8.221 19 HG SER 3 HG SER 3 -17.848 -17.681 -7.545 20 H GLY 4 HN GLY 4 -16.526 -13.494 -5.428 21 1HA GLY 4 HA2 GLY 4 -15.315 -11.851 -6.961 22 2HA GLY 4 HA1 GLY 4 -16.915 -11.197 -7.298 23 H TYR 5 HN TYR 5 -15.307 -9.327 -6.396 24 HA TYR 5 HA TYR 5 -16.175 -8.900 -3.576 25 1HB TYR 5 HB2 TYR 5 -13.811 -7.979 -3.181 26 2HB TYR 5 HB1 TYR 5 -13.947 -9.727 -3.333 27 HD1 TYR 5 HD1 TYR 5 -12.754 -6.632 -4.922 28 HD2 TYR 5 HD2 TYR 5 -13.154 -10.888 -5.352 29 HE1 TYR 5 HE1 TYR 5 -11.144 -6.594 -6.806 30 HE2 TYR 5 HE2 TYR 5 -11.545 -10.848 -7.238 31 HH TYR 5 HH TYR 5 -10.841 -8.546 -9.002 32 H THR 6 HN THR 6 -17.054 -6.888 -3.350 33 HA THR 6 HA THR 6 -16.140 -4.664 -5.111 34 HB THR 6 HB THR 6 -19.030 -5.546 -4.776 35 HG1 THR 6 HG1 THR 6 -18.270 -6.981 -6.163 36 1HG2 THR 6 HG21 THR 6 -17.695 -3.393 -6.434 37 2HG2 THR 6 HG22 THR 6 -18.901 -3.173 -5.166 38 3HG2 THR 6 HG23 THR 6 -19.355 -3.931 -6.692 39 H ARG 7 HN ARG 7 -16.519 -2.588 -4.166 40 HA ARG 7 HA ARG 7 -17.873 -2.500 -1.518 41 1HB ARG 7 HB2 ARG 7 -14.990 -2.156 -2.165 42 2HB ARG 7 HB1 ARG 7 -15.671 -0.998 -1.022 43 1HG ARG 7 HG2 ARG 7 -16.549 -2.880 0.339 44 2HG ARG 7 HG1 ARG 7 -15.805 -4.019 -0.782 45 1HD ARG 7 HD2 ARG 7 -14.106 -1.879 0.489 46 2HD ARG 7 HD1 ARG 7 -14.490 -3.356 1.394 47 HE ARG 7 HE ARG 7 -13.705 -4.460 -0.924 48 1HH1 ARG 7 HH11 ARG 7 -12.454 -1.854 -1.763 49 2HH1 ARG 7 HH12 ARG 7 -10.824 -2.043 -1.208 50 1HH2 ARG 7 HH21 ARG 7 -11.582 -4.691 0.916 51 2HH2 ARG 7 HH22 ARG 7 -10.328 -3.660 0.316 52 HA PRO 8 HA PRO 8 -19.309 1.354 -3.100 53 1HB PRO 8 HB2 PRO 8 -19.897 2.646 -0.761 54 2HB PRO 8 HB1 PRO 8 -20.883 1.320 -1.407 55 1HG PRO 8 HG2 PRO 8 -18.858 1.287 0.769 56 2HG PRO 8 HG1 PRO 8 -20.388 0.407 0.635 57 1HD PRO 8 HD2 PRO 8 -17.932 -0.706 0.156 58 2HD PRO 8 HD1 PRO 8 -19.449 -1.298 -0.554 59 H LEU 9 HN LEU 9 -18.545 3.481 -3.485 60 HA LEU 9 HA LEU 9 -15.761 4.006 -2.730 61 1HB LEU 9 HB2 LEU 9 -16.922 4.397 -4.986 62 2HB LEU 9 HB1 LEU 9 -17.692 5.793 -4.232 63 HG LEU 9 HG LEU 9 -14.833 5.762 -3.695 64 1HD1 LEU 9 HD11 LEU 9 -15.686 5.900 -6.604 65 2HD1 LEU 9 HD12 LEU 9 -14.784 4.568 -5.880 66 3HD1 LEU 9 HD13 LEU 9 -14.059 6.173 -5.980 67 1HD2 LEU 9 HD21 LEU 9 -16.490 7.725 -5.305 68 2HD2 LEU 9 HD22 LEU 9 -15.009 8.053 -4.405 69 3HD2 LEU 9 HD23 LEU 9 -16.500 7.680 -3.541 70 H ARG 10 HN ARG 10 -15.869 4.416 -0.444 71 HA ARG 10 HA ARG 10 -16.663 7.156 0.275 72 1HB ARG 10 HB2 ARG 10 -18.465 4.994 0.561 73 2HB ARG 10 HB1 ARG 10 -17.867 5.338 2.184 74 1HG ARG 10 HG2 ARG 10 -18.747 7.481 2.208 75 2HG ARG 10 HG1 ARG 10 -18.664 7.649 0.454 76 1HD ARG 10 HD2 ARG 10 -20.545 5.640 1.706 77 2HD ARG 10 HD1 ARG 10 -21.021 7.339 1.515 78 HE ARG 10 HE ARG 10 -20.469 5.443 -0.692 79 1HH1 ARG 10 HH21 ARG 10 -22.899 7.263 -0.467 80 2HH1 ARG 10 HH22 ARG 10 -22.525 8.480 -1.641 81 1HH2 ARG 10 HH11 ARG 10 -19.158 7.612 -1.843 82 2HH2 ARG 10 HH12 ARG 10 -20.394 8.680 -2.424 83 H LYS 11 HN LYS 11 -16.018 7.627 2.567 84 HA LYS 11 HA LYS 11 -13.376 6.796 3.176 85 1HB LYS 11 HB2 LYS 11 -14.614 8.850 3.953 86 2HB LYS 11 HB1 LYS 11 -15.500 7.825 5.084 87 1HG LYS 11 HG2 LYS 11 -13.715 7.604 6.486 88 2HG LYS 11 HG1 LYS 11 -12.558 7.511 5.157 89 1HD LYS 11 HD2 LYS 11 -13.005 10.018 4.807 90 2HD LYS 11 HD1 LYS 11 -13.785 9.982 6.389 91 1HE LYS 11 HE2 LYS 11 -11.670 9.015 7.353 92 2HE LYS 11 HE1 LYS 11 -10.898 9.258 5.773 93 1HZ LYS 11 HZ1 LYS 11 -11.564 11.603 5.876 94 2HZ LYS 11 HZ2 LYS 11 -10.535 11.189 7.163 95 3HZ LYS 11 HZ3 LYS 11 -12.205 11.357 7.428 96 HA PRO 12 HA PRO 12 -14.531 2.779 4.840 97 1HB PRO 12 HB2 PRO 12 -11.977 1.800 4.950 98 2HB PRO 12 HB1 PRO 12 -12.922 1.867 3.451 99 1HG PRO 12 HG2 PRO 12 -10.741 3.640 4.394 100 2HG PRO 12 HG1 PRO 12 -11.140 3.111 2.754 101 1HD PRO 12 HD2 PRO 12 -11.755 5.586 3.804 102 2HD PRO 12 HD1 PRO 12 -12.579 4.835 2.422 103 H SER 13 HN SER 13 -12.758 1.505 6.647 104 HA SER 13 HA SER 13 -13.347 2.797 9.135 105 1HB SER 13 HB2 SER 13 -11.578 0.530 8.216 106 2HB SER 13 HB1 SER 13 -11.646 0.987 9.914 107 HG SER 13 HG SER 13 -13.182 -0.630 9.370 108 H ARG 14 HN ARG 14 -11.482 3.230 10.782 109 HA ARG 14 HA ARG 14 -9.959 5.486 10.031 110 1HB ARG 14 HB2 ARG 14 -9.920 3.468 12.255 111 2HB ARG 14 HB1 ARG 14 -8.624 4.661 12.169 112 1HG ARG 14 HG2 ARG 14 -10.494 6.419 11.940 113 2HG ARG 14 HG1 ARG 14 -11.589 5.144 12.477 114 1HD ARG 14 HD2 ARG 14 -9.772 4.850 14.402 115 2HD ARG 14 HD1 ARG 14 -9.425 6.546 14.007 116 HE ARG 14 HE ARG 14 -12.077 5.509 14.907 117 1HH1 ARG 14 HH21 ARG 14 -10.265 7.542 16.359 118 2HH1 ARG 14 HH22 ARG 14 -11.111 9.016 16.026 119 1HH2 ARG 14 HH11 ARG 14 -13.043 7.639 13.485 120 2HH2 ARG 14 HH12 ARG 14 -12.690 9.071 14.392 121 HA PRO 15 HA PRO 15 -6.348 3.972 8.044 122 1HB PRO 15 HB2 PRO 15 -4.371 5.518 9.142 123 2HB PRO 15 HB1 PRO 15 -5.556 6.137 7.973 124 1HG PRO 15 HG2 PRO 15 -5.506 6.404 10.940 125 2HG PRO 15 HG1 PRO 15 -5.955 7.594 9.707 126 1HD PRO 15 HD2 PRO 15 -7.781 6.209 11.161 127 2HD PRO 15 HD1 PRO 15 -8.091 6.779 9.507 128 H ILE 16 HN ILE 16 -4.391 2.725 8.363 129 HA ILE 16 HA ILE 16 -4.450 1.021 10.731 130 HB ILE 16 HB ILE 16 -2.628 -0.144 9.533 131 1HG1 ILE 16 HG12 ILE 16 -2.704 1.555 7.145 132 2HG1 ILE 16 HG11 ILE 16 -2.029 2.391 8.544 133 1HG2 ILE 16 HG21 ILE 16 -4.612 0.700 7.432 134 2HG2 ILE 16 HG22 ILE 16 -5.139 -0.223 8.840 135 3HG2 ILE 16 HG23 ILE 16 -3.937 -0.900 7.741 136 1HD1 ILE 16 HD11 ILE 16 -1.115 -0.407 8.032 137 2HD1 ILE 16 HD12 ILE 16 -0.226 0.959 8.707 138 3HD1 ILE 16 HD13 ILE 16 -0.506 0.862 6.969 139 H PHE 17 HN PHE 17 -1.908 0.461 11.367 140 HA PHE 17 HA PHE 17 -1.093 2.561 13.144 141 1HB PHE 17 HB2 PHE 17 0.030 -0.050 12.152 142 2HB PHE 17 HB1 PHE 17 1.009 0.983 13.190 143 HD1 PHE 17 HD1 PHE 17 -1.876 -1.244 13.014 144 HD2 PHE 17 HD2 PHE 17 0.215 1.588 15.477 145 HE1 PHE 17 HE1 PHE 17 -3.108 -2.063 15.003 146 HE2 PHE 17 HE2 PHE 17 -1.019 0.769 17.466 147 HZ PHE 17 HZ PHE 17 -2.680 -1.057 17.229 148 H ILE 18 HN ILE 18 1.482 3.039 13.048 149 HA ILE 18 HA ILE 18 1.934 5.029 11.110 150 HB ILE 18 HB ILE 18 3.610 3.378 12.975 151 1HG1 ILE 18 HG12 ILE 18 2.239 5.229 13.827 152 2HG1 ILE 18 HG11 ILE 18 3.952 5.588 14.012 153 1HG2 ILE 18 HG21 ILE 18 4.720 5.446 11.052 154 2HG2 ILE 18 HG22 ILE 18 5.098 3.723 11.049 155 3HG2 ILE 18 HG23 ILE 18 5.601 4.733 12.402 156 1HD1 ILE 18 HD11 ILE 18 3.092 7.589 13.128 157 2HD1 ILE 18 HD12 ILE 18 1.987 6.743 12.045 158 3HD1 ILE 18 HD13 ILE 18 3.716 6.767 11.699 159 H ARG 19 HN ARG 19 3.638 5.050 9.423 160 HA ARG 19 HA ARG 19 3.217 3.383 7.256 161 1HB ARG 19 HB2 ARG 19 4.428 5.422 7.052 162 2HB ARG 19 HB1 ARG 19 5.648 4.901 8.212 163 1HG ARG 19 HG2 ARG 19 5.496 2.988 6.066 164 2HG ARG 19 HG1 ARG 19 5.707 4.603 5.394 165 1HD ARG 19 HD2 ARG 19 7.404 3.787 7.738 166 2HD ARG 19 HD1 ARG 19 7.836 3.214 6.114 167 HE ARG 19 HE ARG 19 7.935 5.578 5.386 168 1HH1 ARG 19 HH11 ARG 19 6.281 6.892 7.448 169 2HH1 ARG 19 HH12 ARG 19 7.460 7.592 8.506 170 1HH2 ARG 19 HH21 ARG 19 10.073 5.636 7.312 171 2HH2 ARG 19 HH22 ARG 19 9.613 6.874 8.433 172 HA PRO 20 HA PRO 20 4.993 -0.456 8.658 173 1HB PRO 20 HB2 PRO 20 4.429 -1.857 6.370 174 2HB PRO 20 HB1 PRO 20 3.220 -1.507 7.622 175 1HG PRO 20 HG2 PRO 20 3.661 -0.186 5.000 176 2HG PRO 20 HG1 PRO 20 2.152 -0.522 5.858 177 1HD PRO 20 HD2 PRO 20 3.364 1.939 5.785 178 2HD PRO 20 HD1 PRO 20 2.267 1.403 7.069 179 H ILE 21 HN ILE 21 6.728 -1.923 7.804 180 HA ILE 21 HA ILE 21 8.891 -0.372 6.591 181 HB ILE 21 HB ILE 21 8.685 -3.241 7.566 182 1HG1 ILE 21 HG12 ILE 21 10.183 -1.655 9.338 183 2HG1 ILE 21 HG11 ILE 21 8.775 -0.679 8.933 184 1HG2 ILE 21 HG21 ILE 21 11.198 -2.924 7.857 185 2HG2 ILE 21 HG22 ILE 21 11.044 -1.478 6.861 186 3HG2 ILE 21 HG23 ILE 21 10.639 -3.058 6.190 187 1HD1 ILE 21 HD11 ILE 21 8.820 -2.686 10.829 188 2HD1 ILE 21 HD12 ILE 21 8.129 -3.502 9.427 189 3HD1 ILE 21 HD13 ILE 21 7.366 -2.045 10.066 190 H GLY 22 HN GLY 22 10.220 -1.348 4.828 191 1HA GLY 22 HA2 GLY 22 10.405 -2.871 2.918 192 2HA GLY 22 HA1 GLY 22 8.649 -2.987 2.899 193 H CYS 23 HN CYS 23 7.623 -0.643 2.711 194 HA CYS 23 HA CYS 23 8.337 0.390 0.119 195 1HB CYS 23 HB2 CYS 23 6.459 1.032 2.347 196 2HB CYS 23 HB1 CYS 23 6.690 2.259 1.109 197 H ASP 24 HN ASP 24 9.186 1.394 3.395 198 HA ASP 24 HA ASP 24 10.351 3.938 2.480 199 1HB ASP 24 HB2 ASP 24 9.196 3.120 4.758 200 2HB ASP 24 HB1 ASP 24 10.868 2.766 5.176 201 H VAL 25 HN VAL 25 11.378 0.985 1.828 202 HA VAL 25 HA VAL 25 14.249 1.666 2.153 203 HB VAL 25 HB VAL 25 13.030 -1.069 2.687 204 1HG1 VAL 25 HG11 VAL 25 15.379 -1.120 3.952 205 2HG1 VAL 25 HG12 VAL 25 15.780 0.106 2.749 206 3HG1 VAL 25 HG13 VAL 25 15.256 -1.497 2.233 207 1HG2 VAL 25 HG21 VAL 25 13.665 -0.493 5.113 208 2HG2 VAL 25 HG22 VAL 25 12.228 0.302 4.470 209 3HG2 VAL 25 HG23 VAL 25 13.751 1.185 4.576 210 H CYS 26 HN CYS 26 13.323 2.234 -0.172 211 HA CYS 26 HA CYS 26 12.657 0.411 -2.168 212 1HB CYS 26 HB2 CYS 26 14.463 2.843 -2.186 213 2HB CYS 26 HB1 CYS 26 13.922 2.053 -3.661 214 H TYR 27 HN TYR 27 15.769 0.754 -0.575 215 HA TYR 27 HA TYR 27 17.045 -1.043 -2.585 216 1HB TYR 27 HB2 TYR 27 18.295 0.493 -0.290 217 2HB TYR 27 HB1 TYR 27 19.124 -0.208 -1.676 218 HD1 TYR 27 HD1 TYR 27 17.647 2.743 -0.357 219 HD2 TYR 27 HD2 TYR 27 18.336 0.639 -4.039 220 HE1 TYR 27 HE1 TYR 27 17.309 4.847 -1.624 221 HE2 TYR 27 HE2 TYR 27 17.998 2.744 -5.305 222 HH TYR 27 HH TYR 27 16.561 5.080 -4.628 223 H GLY 28 HN GLY 28 17.371 -3.153 -2.038 224 1HA GLY 28 HA2 GLY 28 18.223 -4.789 -0.390 225 2HA GLY 28 HA1 GLY 28 17.358 -3.895 0.857 226 H ILE 29 HN ILE 29 14.961 -3.584 -0.943 227 HA ILE 29 HA ILE 29 13.739 -6.179 -0.284 228 HB ILE 29 HB ILE 29 11.653 -5.025 -0.798 229 1HG1 ILE 29 HG12 ILE 29 13.371 -2.722 -1.782 230 2HG1 ILE 29 HG11 ILE 29 12.500 -3.838 -2.835 231 1HG2 ILE 29 HG21 ILE 29 12.783 -4.537 1.363 232 2HG2 ILE 29 HG22 ILE 29 11.796 -3.190 0.798 233 3HG2 ILE 29 HG23 ILE 29 13.550 -3.134 0.619 234 1HD1 ILE 29 HD11 ILE 29 11.387 -1.781 -0.939 235 2HD1 ILE 29 HD12 ILE 29 10.414 -3.173 -1.412 236 3HD1 ILE 29 HD13 ILE 29 10.996 -2.047 -2.637 237 HA PRO 30 HA PRO 30 13.776 -7.818 -4.337 238 1HB PRO 30 HB2 PRO 30 11.383 -9.153 -4.403 239 2HB PRO 30 HB1 PRO 30 12.800 -9.718 -3.497 240 1HG PRO 30 HG2 PRO 30 10.341 -8.400 -2.528 241 2HG PRO 30 HG1 PRO 30 11.379 -9.582 -1.728 242 1HD PRO 30 HD2 PRO 30 11.361 -6.856 -1.211 243 2HD PRO 30 HD1 PRO 30 12.674 -7.970 -0.788 244 H SER 31 HN SER 31 12.883 -7.573 -6.466 245 HA SER 31 HA SER 31 11.753 -5.049 -7.096 246 1HB SER 31 HB2 SER 31 13.035 -6.843 -8.496 247 2HB SER 31 HB1 SER 31 11.433 -7.498 -8.821 248 HG SER 31 HG SER 31 11.911 -5.996 -10.401 249 H SER 32 HN SER 32 10.155 -8.232 -6.721 250 HA SER 32 HA SER 32 7.555 -7.452 -7.608 251 1HB SER 32 HB2 SER 32 8.621 -9.766 -6.970 252 2HB SER 32 HB1 SER 32 8.036 -9.392 -5.351 253 HG SER 32 HG SER 32 6.576 -10.577 -6.842 254 H THR 33 HN THR 33 9.014 -7.379 -4.338 255 HA THR 33 HA THR 33 6.679 -6.267 -3.032 256 HB THR 33 HB THR 33 9.645 -6.198 -2.371 257 HG1 THR 33 HG1 THR 33 7.651 -7.857 -1.253 258 1HG2 THR 33 HG21 THR 33 7.221 -5.248 -0.918 259 2HG2 THR 33 HG22 THR 33 8.872 -4.628 -0.879 260 3HG2 THR 33 HG23 THR 33 8.454 -6.079 0.031 261 H ALA 34 HN ALA 34 9.623 -4.885 -4.480 262 HA ALA 34 HA ALA 34 9.140 -2.145 -3.822 263 1HB ALA 34 HB1 ALA 34 10.563 -2.024 -6.126 264 2HB ALA 34 HB2 ALA 34 10.785 -3.730 -5.735 265 3HB ALA 34 HB3 ALA 34 11.288 -2.489 -4.587 266 H ARG 35 HN ARG 35 8.085 -4.143 -6.583 267 HA ARG 35 HA ARG 35 6.934 -2.029 -8.155 268 1HB ARG 35 HB2 ARG 35 7.454 -4.393 -8.873 269 2HB ARG 35 HB1 ARG 35 6.077 -4.937 -7.916 270 1HG ARG 35 HG2 ARG 35 4.675 -4.429 -9.600 271 2HG ARG 35 HG1 ARG 35 5.235 -2.756 -9.588 272 1HD ARG 35 HD2 ARG 35 6.394 -3.082 -11.508 273 2HD ARG 35 HD1 ARG 35 7.232 -4.482 -10.811 274 HE ARG 35 HE ARG 35 5.118 -5.801 -11.365 275 1HH1 ARG 35 HH21 ARG 35 3.392 -3.590 -12.296 276 2HH1 ARG 35 HH22 ARG 35 3.595 -3.634 -14.015 277 1HH2 ARG 35 HH11 ARG 35 6.488 -5.557 -13.886 278 2HH2 ARG 35 HH12 ARG 35 5.355 -4.753 -14.919 279 H LEU 36 HN LEU 36 5.541 -4.204 -5.683 280 HA LEU 36 HA LEU 36 2.857 -3.174 -5.777 281 1HB LEU 36 HB2 LEU 36 4.259 -5.201 -4.511 282 2HB LEU 36 HB1 LEU 36 3.865 -4.124 -3.174 283 HG LEU 36 HG LEU 36 2.092 -5.804 -3.499 284 1HD1 LEU 36 HD11 LEU 36 0.229 -4.303 -3.467 285 2HD1 LEU 36 HD12 LEU 36 1.086 -3.112 -4.445 286 3HD1 LEU 36 HD13 LEU 36 1.589 -3.413 -2.781 287 1HD2 LEU 36 HD21 LEU 36 0.878 -6.024 -5.528 288 2HD2 LEU 36 HD22 LEU 36 2.566 -5.940 -6.032 289 3HD2 LEU 36 HD23 LEU 36 1.530 -4.520 -6.177 290 H CYS 37 HN CYS 37 5.730 -2.260 -3.891 291 HA CYS 37 HA CYS 37 4.521 -0.365 -2.124 292 1HB CYS 37 HB2 CYS 37 7.200 -1.108 -3.142 293 2HB CYS 37 HB1 CYS 37 7.062 0.551 -2.571 294 H CYS 38 HN CYS 38 5.662 -0.079 -5.475 295 HA CYS 38 HA CYS 38 5.399 2.838 -5.550 296 1HB CYS 38 HB2 CYS 38 7.051 1.704 -6.911 297 2HB CYS 38 HB1 CYS 38 5.825 0.651 -7.610 298 H PHE 39 HN PHE 39 3.514 0.025 -6.617 299 HA PHE 39 HA PHE 39 1.484 1.463 -8.060 300 1HB PHE 39 HB2 PHE 39 1.761 -0.843 -8.502 301 2HB PHE 39 HB1 PHE 39 1.775 -1.259 -6.790 302 HD1 PHE 39 HD1 PHE 39 -0.406 -0.023 -9.548 303 HD2 PHE 39 HD2 PHE 39 -0.237 -1.774 -5.629 304 HE1 PHE 39 HE1 PHE 39 -2.849 -0.436 -9.629 305 HE2 PHE 39 HE2 PHE 39 -2.680 -2.188 -5.710 306 HZ PHE 39 HZ PHE 39 -3.987 -1.518 -7.709 307 H ARG 40 HN ARG 40 1.730 0.411 -4.664 308 HA ARG 40 HA ARG 40 -0.946 1.569 -4.097 309 1HB ARG 40 HB2 ARG 40 0.890 -0.442 -2.935 310 2HB ARG 40 HB1 ARG 40 -0.050 0.483 -1.769 311 1HG ARG 40 HG2 ARG 40 -1.570 -0.488 -4.114 312 2HG ARG 40 HG1 ARG 40 -0.981 -1.745 -3.028 313 1HD ARG 40 HD2 ARG 40 -2.944 -1.255 -1.913 314 2HD ARG 40 HD1 ARG 40 -1.940 0.023 -1.199 315 HE ARG 40 HE ARG 40 -2.795 1.226 -3.496 316 1HH1 ARG 40 HH21 ARG 40 -5.107 -0.685 -3.546 317 2HH1 ARG 40 HH22 ARG 40 -6.310 0.176 -2.646 318 1HH2 ARG 40 HH11 ARG 40 -4.031 2.408 -1.256 319 2HH2 ARG 40 HH12 ARG 40 -5.696 1.940 -1.340 320 H TYR 41 HN TYR 41 2.264 1.676 -2.471 321 HA TYR 41 HA TYR 41 1.560 4.104 -1.026 322 1HB TYR 41 HB2 TYR 41 4.058 2.460 -1.411 323 2HB TYR 41 HB1 TYR 41 4.047 3.921 -0.427 324 HD1 TYR 41 HD1 TYR 41 2.951 3.982 1.726 325 HD2 TYR 41 HD2 TYR 41 2.697 0.494 -0.769 326 HE1 TYR 41 HE1 TYR 41 2.037 2.685 3.634 327 HE2 TYR 41 HE2 TYR 41 1.778 -0.801 1.136 328 HH TYR 41 HH TYR 41 0.408 -0.016 3.403 329 H GLY 42 HN GLY 42 3.620 3.364 -3.829 330 1HA GLY 42 HA2 GLY 42 3.881 4.957 -5.647 331 2HA GLY 42 HA1 GLY 42 3.591 6.263 -4.506 332 H ASP 43 HN ASP 43 5.699 3.878 -3.231 333 HA ASP 43 HA ASP 43 8.035 5.671 -3.755 334 1HB ASP 43 HB2 ASP 43 7.774 3.536 -1.628 335 2HB ASP 43 HB1 ASP 43 8.886 4.893 -1.658 336 H CYS 44 HN CYS 44 10.110 4.623 -4.158 337 HA CYS 44 HA CYS 44 11.521 3.071 -5.242 338 1HB CYS 44 HB2 CYS 44 9.410 1.032 -4.502 339 2HB CYS 44 HB1 CYS 44 11.126 0.752 -4.732 340 H CYS 45 HN CYS 45 9.590 4.511 -6.795 341 HA CYS 45 HA CYS 45 8.322 2.648 -8.682 342 1HB CYS 45 HB2 CYS 45 8.586 5.642 -8.367 343 2HB CYS 45 HB1 CYS 45 7.830 4.936 -9.792 344 H HIS 46 HN HIS 46 10.700 5.303 -9.037 345 HA HIS 46 HA HIS 46 11.630 4.238 -11.611 346 1HB HIS 46 HB2 HIS 46 12.182 6.621 -9.852 347 2HB HIS 46 HB1 HIS 46 13.262 6.260 -11.199 348 HD1 HIS 46 HD1 HIS 46 12.126 6.179 -13.623 349 HD2 HIS 46 HD2 HIS 46 9.749 7.783 -10.597 350 HE1 HIS 46 HE1 HIS 46 10.228 7.400 -14.773 351 H LEU 47 HN LEU 47 12.535 2.182 -10.946 352 HA LEU 47 HA LEU 47 15.017 2.368 -9.274 353 1HB LEU 47 HB2 LEU 47 12.704 0.637 -9.313 354 2HB LEU 47 HB1 LEU 47 14.161 -0.315 -9.597 355 HG LEU 47 HG LEU 47 14.302 1.737 -7.444 356 1HD1 LEU 47 HD11 LEU 47 13.337 -0.675 -6.267 357 2HD1 LEU 47 HD12 LEU 47 12.194 -0.202 -7.522 358 3HD1 LEU 47 HD13 LEU 47 12.596 0.924 -6.227 359 1HD2 LEU 47 HD21 LEU 47 16.092 0.013 -8.257 360 2HD2 LEU 47 HD22 LEU 47 15.145 -1.154 -7.335 361 3HD2 LEU 47 HD23 LEU 47 15.861 0.237 -6.523 Start of MODEL 19 1 1H HIS 1 HT1 HIS 1 25.379 4.941 6.316 2 2H HIS 1 HT2 HIS 1 26.124 3.489 5.840 3 3H HIS 1 HT3 HIS 1 24.432 3.633 5.801 4 HA HIS 1 HA HIS 1 24.617 5.351 4.065 5 1HB HIS 1 HB2 HIS 1 27.185 5.466 5.123 6 2HB HIS 1 HB1 HIS 1 27.436 4.692 3.558 7 HD1 HIS 1 HD1 HIS 1 27.236 7.947 5.007 8 HD2 HIS 1 HD2 HIS 1 25.894 6.290 1.424 9 HE1 HIS 1 HE1 HIS 1 26.809 9.886 3.436 10 H SER 2 HN SER 2 24.402 4.588 1.897 11 HA SER 2 HA SER 2 24.383 1.664 1.589 12 1HB SER 2 HB2 SER 2 23.481 2.397 -0.712 13 2HB SER 2 HB1 SER 2 22.530 2.874 0.690 14 HG SER 2 HG SER 2 24.321 4.424 -0.866 15 H SER 3 HN SER 3 26.880 1.765 1.930 16 HA SER 3 HA SER 3 28.532 2.719 -0.273 17 1HB SER 3 HB2 SER 3 29.040 0.819 2.041 18 2HB SER 3 HB1 SER 3 30.295 1.505 1.013 19 HG SER 3 HG SER 3 30.229 3.046 2.460 20 H GLY 4 HN GLY 4 29.001 1.623 -2.143 21 1HA GLY 4 HA2 GLY 4 29.637 -0.428 -3.316 22 2HA GLY 4 HA1 GLY 4 28.600 -1.328 -2.210 23 H TYR 5 HN TYR 5 26.241 0.076 -2.284 24 HA TYR 5 HA TYR 5 25.457 0.579 -5.083 25 1HB TYR 5 HB2 TYR 5 25.431 -1.854 -4.961 26 2HB TYR 5 HB1 TYR 5 24.500 -1.805 -3.464 27 HD1 TYR 5 HD1 TYR 5 24.355 -0.621 -7.021 28 HD2 TYR 5 HD2 TYR 5 22.163 -1.915 -3.560 29 HE1 TYR 5 HE1 TYR 5 22.249 -0.547 -8.326 30 HE2 TYR 5 HE2 TYR 5 20.058 -1.842 -4.867 31 HH TYR 5 HH TYR 5 19.727 -2.004 -7.827 32 H THR 6 HN THR 6 23.757 2.021 -5.108 33 HA THR 6 HA THR 6 22.511 2.754 -2.507 34 HB THR 6 HB THR 6 22.300 4.104 -5.217 35 HG1 THR 6 HG1 THR 6 24.310 4.588 -4.954 36 1HG2 THR 6 HG21 THR 6 20.674 4.840 -3.534 37 2HG2 THR 6 HG22 THR 6 21.867 6.105 -3.824 38 3HG2 THR 6 HG23 THR 6 21.976 5.106 -2.375 39 H ARG 7 HN ARG 7 20.736 1.440 -2.125 40 HA ARG 7 HA ARG 7 19.106 0.201 -4.115 41 1HB ARG 7 HB2 ARG 7 17.540 -0.106 -2.154 42 2HB ARG 7 HB1 ARG 7 19.198 -0.607 -1.835 43 1HG ARG 7 HG2 ARG 7 19.190 0.761 -0.045 44 2HG ARG 7 HG1 ARG 7 19.105 2.126 -1.157 45 1HD ARG 7 HD2 ARG 7 16.548 1.695 -1.197 46 2HD ARG 7 HD1 ARG 7 16.834 0.722 0.259 47 HE ARG 7 HE ARG 7 17.208 2.736 1.429 48 1HH1 ARG 7 HH21 ARG 7 15.744 4.299 -0.656 49 2HH1 ARG 7 HH22 ARG 7 16.914 5.487 -1.122 50 1HH2 ARG 7 HH11 ARG 7 19.598 3.777 0.275 51 2HH2 ARG 7 HH12 ARG 7 19.102 5.196 -0.585 52 HA PRO 8 HA PRO 8 16.953 3.966 -5.278 53 1HB PRO 8 HB2 PRO 8 15.692 2.894 -7.450 54 2HB PRO 8 HB1 PRO 8 17.392 3.400 -7.474 55 1HG PRO 8 HG2 PRO 8 16.232 0.679 -7.276 56 2HG PRO 8 HG1 PRO 8 17.713 1.223 -8.075 57 1HD PRO 8 HD2 PRO 8 17.615 -0.049 -5.627 58 2HD PRO 8 HD1 PRO 8 18.962 0.958 -6.198 59 H LEU 9 HN LEU 9 14.603 4.473 -5.703 60 HA LEU 9 HA LEU 9 12.315 4.371 -5.162 61 1HB LEU 9 HB2 LEU 9 12.846 2.034 -6.248 62 2HB LEU 9 HB1 LEU 9 12.662 1.437 -4.603 63 HG LEU 9 HG LEU 9 10.539 1.333 -5.920 64 1HD1 LEU 9 HD11 LEU 9 10.722 1.759 -3.362 65 2HD1 LEU 9 HD12 LEU 9 9.167 2.035 -4.147 66 3HD1 LEU 9 HD13 LEU 9 10.210 3.401 -3.754 67 1HD2 LEU 9 HD21 LEU 9 11.192 3.597 -7.092 68 2HD2 LEU 9 HD22 LEU 9 10.374 4.329 -5.711 69 3HD2 LEU 9 HD23 LEU 9 9.494 3.237 -6.781 70 H ARG 10 HN ARG 10 11.849 5.349 -3.240 71 HA ARG 10 HA ARG 10 13.033 4.696 -0.705 72 1HB ARG 10 HB2 ARG 10 11.921 6.859 -1.520 73 2HB ARG 10 HB1 ARG 10 10.376 6.067 -1.213 74 1HG ARG 10 HG2 ARG 10 10.534 6.614 0.960 75 2HG ARG 10 HG1 ARG 10 12.012 5.660 1.085 76 1HD ARG 10 HD2 ARG 10 12.875 7.973 -0.197 77 2HD ARG 10 HD1 ARG 10 11.699 8.572 0.990 78 HE ARG 10 HE ARG 10 13.005 7.543 2.756 79 1HH1 ARG 10 HH21 ARG 10 14.920 8.707 0.423 80 2HH1 ARG 10 HH22 ARG 10 16.223 7.581 0.597 81 1HH2 ARG 10 HH11 ARG 10 14.426 5.413 2.635 82 2HH2 ARG 10 HH12 ARG 10 15.943 5.711 1.854 83 H LYS 11 HN LYS 11 12.713 2.618 0.077 84 HA LYS 11 HA LYS 11 11.579 0.792 1.041 85 1HB LYS 11 HB2 LYS 11 10.277 2.870 1.931 86 2HB LYS 11 HB1 LYS 11 9.049 2.413 0.752 87 1HG LYS 11 HG2 LYS 11 8.255 1.053 2.389 88 2HG LYS 11 HG1 LYS 11 9.603 0.000 1.959 89 1HD LYS 11 HD2 LYS 11 9.902 0.259 4.267 90 2HD LYS 11 HD1 LYS 11 10.969 1.502 3.614 91 1HE LYS 11 HE2 LYS 11 9.557 3.245 4.251 92 2HE LYS 11 HE1 LYS 11 8.107 2.223 4.202 93 1HZ LYS 11 HZ1 LYS 11 8.912 1.006 6.112 94 2HZ LYS 11 HZ2 LYS 11 8.840 2.661 6.491 95 3HZ LYS 11 HZ3 LYS 11 10.335 1.929 6.152 96 HA PRO 12 HA PRO 12 10.232 -0.405 -3.189 97 1HB PRO 12 HB2 PRO 12 11.705 -2.715 -3.275 98 2HB PRO 12 HB1 PRO 12 12.362 -1.128 -3.718 99 1HG PRO 12 HG2 PRO 12 12.703 -2.684 -1.214 100 2HG PRO 12 HG1 PRO 12 13.859 -1.655 -2.073 101 1HD PRO 12 HD2 PRO 12 12.490 -0.896 0.177 102 2HD PRO 12 HD1 PRO 12 13.140 0.238 -1.026 103 H SER 13 HN SER 13 9.789 -3.102 -3.663 104 HA SER 13 HA SER 13 7.325 -3.682 -2.464 105 1HB SER 13 HB2 SER 13 9.445 -5.184 -3.918 106 2HB SER 13 HB1 SER 13 8.207 -6.143 -3.110 107 HG SER 13 HG SER 13 7.676 -5.503 -5.289 108 H ARG 14 HN ARG 14 6.687 -4.593 -0.555 109 HA ARG 14 HA ARG 14 8.784 -5.348 1.418 110 1HB ARG 14 HB2 ARG 14 5.829 -4.691 1.667 111 2HB ARG 14 HB1 ARG 14 6.910 -4.999 3.025 112 1HG ARG 14 HG2 ARG 14 7.965 -2.969 2.826 113 2HG ARG 14 HG1 ARG 14 7.778 -2.924 1.072 114 1HD ARG 14 HD2 ARG 14 5.150 -2.815 1.961 115 2HD ARG 14 HD1 ARG 14 6.018 -1.823 3.148 116 HE ARG 14 HE ARG 14 6.735 -0.368 1.365 117 1HH1 ARG 14 HH11 ARG 14 3.859 -0.746 0.540 118 2HH1 ARG 14 HH12 ARG 14 4.022 -1.145 -1.138 119 1HH2 ARG 14 HH21 ARG 14 7.408 -1.880 -0.906 120 2HH2 ARG 14 HH22 ARG 14 6.037 -1.782 -1.961 121 HA PRO 15 HA PRO 15 7.553 -9.593 1.378 122 1HB PRO 15 HB2 PRO 15 7.797 -10.276 4.013 123 2HB PRO 15 HB1 PRO 15 9.195 -9.977 2.961 124 1HG PRO 15 HG2 PRO 15 7.956 -8.217 5.007 125 2HG PRO 15 HG1 PRO 15 9.659 -8.419 4.570 126 1HD PRO 15 HD2 PRO 15 8.093 -6.312 3.765 127 2HD PRO 15 HD1 PRO 15 9.543 -6.870 2.904 128 H ILE 16 HN ILE 16 5.979 -11.172 2.519 129 HA ILE 16 HA ILE 16 3.315 -10.174 2.441 130 HB ILE 16 HB ILE 16 2.740 -12.384 3.408 131 1HG1 ILE 16 HG12 ILE 16 5.733 -12.696 3.806 132 2HG1 ILE 16 HG11 ILE 16 4.578 -12.413 5.106 133 1HG2 ILE 16 HG21 ILE 16 5.083 -12.864 1.584 134 2HG2 ILE 16 HG22 ILE 16 3.667 -11.996 0.990 135 3HG2 ILE 16 HG23 ILE 16 3.502 -13.645 1.592 136 1HD1 ILE 16 HD11 ILE 16 4.933 -14.783 5.029 137 2HD1 ILE 16 HD12 ILE 16 4.742 -14.819 3.276 138 3HD1 ILE 16 HD13 ILE 16 3.349 -14.495 4.309 139 H PHE 17 HN PHE 17 1.803 -9.723 4.138 140 HA PHE 17 HA PHE 17 2.654 -9.685 6.942 141 1HB PHE 17 HB2 PHE 17 3.798 -7.717 6.033 142 2HB PHE 17 HB1 PHE 17 2.289 -7.135 5.331 143 HD1 PHE 17 HD1 PHE 17 3.953 -7.959 8.570 144 HD2 PHE 17 HD2 PHE 17 0.754 -5.860 6.616 145 HE1 PHE 17 HE1 PHE 17 3.397 -6.823 10.701 146 HE2 PHE 17 HE2 PHE 17 0.198 -4.724 8.748 147 HZ PHE 17 HZ PHE 17 1.519 -5.205 10.791 148 H ILE 18 HN ILE 18 0.889 -9.031 8.366 149 HA ILE 18 HA ILE 18 -1.759 -9.713 7.332 150 HB ILE 18 HB ILE 18 -2.386 -9.448 9.727 151 1HG1 ILE 18 HG12 ILE 18 0.463 -8.423 9.977 152 2HG1 ILE 18 HG11 ILE 18 -1.009 -7.518 10.304 153 1HG2 ILE 18 HG21 ILE 18 0.286 -10.843 9.637 154 2HG2 ILE 18 HG22 ILE 18 -1.094 -11.476 8.740 155 3HG2 ILE 18 HG23 ILE 18 -1.180 -11.320 10.494 156 1HD1 ILE 18 HD11 ILE 18 -1.552 -9.317 12.048 157 2HD1 ILE 18 HD12 ILE 18 -0.229 -8.219 12.440 158 3HD1 ILE 18 HD13 ILE 18 0.120 -9.848 11.861 159 H ARG 19 HN ARG 19 -1.532 -7.736 5.807 160 HA ARG 19 HA ARG 19 -1.612 -5.051 6.458 161 1HB ARG 19 HB2 ARG 19 -2.590 -4.764 4.332 162 2HB ARG 19 HB1 ARG 19 -1.810 -6.337 4.204 163 1HG ARG 19 HG2 ARG 19 -4.734 -5.969 4.935 164 2HG ARG 19 HG1 ARG 19 -4.167 -6.274 3.295 165 1HD ARG 19 HD2 ARG 19 -2.937 -8.332 4.376 166 2HD ARG 19 HD1 ARG 19 -4.130 -8.119 5.672 167 HE ARG 19 HE ARG 19 -5.903 -8.504 4.059 168 1HH1 ARG 19 HH11 ARG 19 -3.317 -10.343 3.441 169 2HH1 ARG 19 HH12 ARG 19 -3.509 -10.464 1.724 170 1HH2 ARG 19 HH21 ARG 19 -5.910 -7.955 1.549 171 2HH2 ARG 19 HH22 ARG 19 -4.979 -9.104 0.649 172 HA PRO 20 HA PRO 20 -5.182 -4.317 8.905 173 1HB PRO 20 HB2 PRO 20 -5.666 -1.704 8.231 174 2HB PRO 20 HB1 PRO 20 -4.338 -2.209 9.297 175 1HG PRO 20 HG2 PRO 20 -4.276 -1.474 6.416 176 2HG PRO 20 HG1 PRO 20 -3.105 -1.127 7.695 177 1HD PRO 20 HD2 PRO 20 -2.766 -3.099 5.845 178 2HD PRO 20 HD1 PRO 20 -2.067 -3.149 7.474 179 H ILE 21 HN ILE 21 -7.477 -3.486 8.693 180 HA ILE 21 HA ILE 21 -8.764 -4.659 6.363 181 HB ILE 21 HB ILE 21 -9.468 -3.495 9.019 182 1HG1 ILE 21 HG12 ILE 21 -9.024 -5.914 8.609 183 2HG1 ILE 21 HG11 ILE 21 -10.634 -5.608 9.247 184 1HG2 ILE 21 HG21 ILE 21 -11.059 -2.318 7.551 185 2HG2 ILE 21 HG22 ILE 21 -11.884 -3.540 8.518 186 3HG2 ILE 21 HG23 ILE 21 -11.529 -3.854 6.821 187 1HD1 ILE 21 HD11 ILE 21 -11.396 -6.836 7.504 188 2HD1 ILE 21 HD12 ILE 21 -9.844 -6.753 6.671 189 3HD1 ILE 21 HD13 ILE 21 -11.007 -5.439 6.502 190 H GLY 22 HN GLY 22 -10.519 -3.405 5.223 191 1HA GLY 22 HA2 GLY 22 -11.408 -1.256 4.456 192 2HA GLY 22 HA1 GLY 22 -9.862 -0.521 4.869 193 H CYS 23 HN CYS 23 -7.965 -1.798 3.670 194 HA CYS 23 HA CYS 23 -8.254 -1.275 0.859 195 1HB CYS 23 HB2 CYS 23 -6.250 -2.499 2.708 196 2HB CYS 23 HB1 CYS 23 -6.013 -2.739 0.982 197 H ASP 24 HN ASP 24 -8.599 -4.220 2.766 198 HA ASP 24 HA ASP 24 -8.738 -5.960 0.402 199 1HB ASP 24 HB2 ASP 24 -7.939 -6.322 2.916 200 2HB ASP 24 HB1 ASP 24 -9.631 -6.746 3.149 201 H VAL 25 HN VAL 25 -10.835 -3.686 1.292 202 HA VAL 25 HA VAL 25 -13.215 -5.293 0.544 203 HB VAL 25 HB VAL 25 -13.172 -3.219 2.764 204 1HG1 VAL 25 HG11 VAL 25 -15.264 -4.765 3.330 205 2HG1 VAL 25 HG12 VAL 25 -15.184 -5.105 1.601 206 3HG1 VAL 25 HG13 VAL 25 -15.394 -3.447 2.165 207 1HG2 VAL 25 HG21 VAL 25 -13.383 -5.287 4.272 208 2HG2 VAL 25 HG22 VAL 25 -11.783 -4.977 3.599 209 3HG2 VAL 25 HG23 VAL 25 -12.810 -6.224 2.892 210 H CYS 26 HN CYS 26 -12.202 -3.990 -1.433 211 HA CYS 26 HA CYS 26 -12.352 -1.241 -1.835 212 1HB CYS 26 HB2 CYS 26 -13.117 -3.568 -3.619 213 2HB CYS 26 HB1 CYS 26 -12.959 -1.922 -4.219 214 H TYR 27 HN TYR 27 -15.041 -3.481 -1.465 215 HA TYR 27 HA TYR 27 -16.995 -1.382 -2.267 216 1HB TYR 27 HB2 TYR 27 -17.284 -4.325 -1.593 217 2HB TYR 27 HB1 TYR 27 -18.584 -3.294 -2.178 218 HD1 TYR 27 HD1 TYR 27 -15.527 -5.107 -3.078 219 HD2 TYR 27 HD2 TYR 27 -18.558 -2.405 -4.483 220 HE1 TYR 27 HE1 TYR 27 -14.822 -5.532 -5.416 221 HE2 TYR 27 HE2 TYR 27 -17.852 -2.832 -6.820 222 HH TYR 27 HH TYR 27 -16.442 -5.150 -7.922 223 H GLY 28 HN GLY 28 -18.054 -0.250 -0.696 224 1HA GLY 28 HA2 GLY 28 -19.377 -0.271 1.384 225 2HA GLY 28 HA1 GLY 28 -18.222 -1.422 2.046 226 H ILE 29 HN ILE 29 -15.936 0.217 0.874 227 HA ILE 29 HA ILE 29 -15.717 2.060 3.162 228 HB ILE 29 HB ILE 29 -13.377 2.199 2.489 229 1HG1 ILE 29 HG12 ILE 29 -14.162 0.584 0.041 230 2HG1 ILE 29 HG11 ILE 29 -13.824 2.315 0.024 231 1HG2 ILE 29 HG21 ILE 29 -12.765 -0.136 2.689 232 2HG2 ILE 29 HG22 ILE 29 -14.356 -0.643 2.120 233 3HG2 ILE 29 HG23 ILE 29 -14.193 0.158 3.682 234 1HD1 ILE 29 HD11 ILE 29 -11.915 0.063 0.684 235 2HD1 ILE 29 HD12 ILE 29 -11.562 1.748 1.067 236 3HD1 ILE 29 HD13 ILE 29 -11.781 1.252 -0.611 237 HA PRO 30 HA PRO 30 -16.518 5.733 0.936 238 1HB PRO 30 HB2 PRO 30 -14.810 7.487 2.171 239 2HB PRO 30 HB1 PRO 30 -16.308 6.885 2.908 240 1HG PRO 30 HG2 PRO 30 -13.506 6.117 3.429 241 2HG PRO 30 HG1 PRO 30 -14.894 6.132 4.518 242 1HD PRO 30 HD2 PRO 30 -13.814 3.866 3.326 243 2HD PRO 30 HD1 PRO 30 -15.435 3.982 4.034 244 H SER 31 HN SER 31 -15.690 7.153 -0.683 245 HA SER 31 HA SER 31 -13.744 6.127 -2.458 246 1HB SER 31 HB2 SER 31 -15.599 7.822 -2.838 247 2HB SER 31 HB1 SER 31 -14.549 9.028 -2.104 248 HG SER 31 HG SER 31 -13.221 8.923 -3.792 249 H SER 32 HN SER 32 -13.393 8.654 0.050 250 HA SER 32 HA SER 32 -10.712 9.416 -0.570 251 1HB SER 32 HB2 SER 32 -12.559 10.375 1.050 252 2HB SER 32 HB1 SER 32 -11.786 9.329 2.239 253 HG SER 32 HG SER 32 -10.977 11.590 1.947 254 H THR 33 HN THR 33 -11.935 6.953 1.734 255 HA THR 33 HA THR 33 -9.312 6.093 2.600 256 HB THR 33 HB THR 33 -12.009 4.699 2.517 257 HG1 THR 33 HG1 THR 33 -10.709 5.976 4.688 258 1HG2 THR 33 HG21 THR 33 -10.654 2.906 2.994 259 2HG2 THR 33 HG22 THR 33 -10.768 3.580 4.620 260 3HG2 THR 33 HG23 THR 33 -9.354 3.919 3.621 261 H ALA 34 HN ALA 34 -11.572 4.990 0.077 262 HA ALA 34 HA ALA 34 -10.066 2.728 -0.817 263 1HB ALA 34 HB1 ALA 34 -11.988 4.600 -2.239 264 2HB ALA 34 HB2 ALA 34 -12.418 3.125 -1.373 265 3HB ALA 34 HB3 ALA 34 -11.481 3.031 -2.864 266 H ARG 35 HN ARG 35 -9.968 6.175 -1.731 267 HA ARG 35 HA ARG 35 -8.175 5.956 -3.954 268 1HB ARG 35 HB2 ARG 35 -9.530 7.952 -3.325 269 2HB ARG 35 HB1 ARG 35 -8.515 8.173 -1.901 270 1HG ARG 35 HG2 ARG 35 -6.945 9.241 -3.112 271 2HG ARG 35 HG1 ARG 35 -6.872 7.914 -4.272 272 1HD ARG 35 HD2 ARG 35 -8.832 8.825 -5.466 273 2HD ARG 35 HD1 ARG 35 -8.934 10.151 -4.292 274 HE ARG 35 HE ARG 35 -7.057 11.149 -5.331 275 1HH1 ARG 35 HH21 ARG 35 -8.023 9.210 -7.642 276 2HH1 ARG 35 HH22 ARG 35 -6.481 8.643 -8.188 277 1HH2 ARG 35 HH11 ARG 35 -4.765 9.827 -5.405 278 2HH2 ARG 35 HH12 ARG 35 -4.629 8.997 -6.920 279 H LEU 36 HN LEU 36 -7.569 6.499 -0.475 280 HA LEU 36 HA LEU 36 -4.703 6.650 -0.632 281 1HB LEU 36 HB2 LEU 36 -6.584 7.076 1.259 282 2HB LEU 36 HB1 LEU 36 -6.050 5.471 1.758 283 HG LEU 36 HG LEU 36 -4.022 7.611 1.148 284 1HD1 LEU 36 HD11 LEU 36 -5.272 8.786 2.748 285 2HD1 LEU 36 HD12 LEU 36 -4.091 7.931 3.740 286 3HD1 LEU 36 HD13 LEU 36 -5.739 7.317 3.605 287 1HD2 LEU 36 HD21 LEU 36 -4.149 4.975 2.550 288 2HD2 LEU 36 HD22 LEU 36 -3.035 6.182 3.194 289 3HD2 LEU 36 HD23 LEU 36 -2.878 5.640 1.523 290 H CYS 37 HN CYS 37 -6.955 3.931 -0.203 291 HA CYS 37 HA CYS 37 -5.075 1.859 0.363 292 1HB CYS 37 HB2 CYS 37 -7.862 2.175 -0.574 293 2HB CYS 37 HB1 CYS 37 -7.097 0.666 -1.057 294 H CYS 38 HN CYS 38 -6.153 3.280 -2.717 295 HA CYS 38 HA CYS 38 -4.757 1.301 -4.366 296 1HB CYS 38 HB2 CYS 38 -6.762 2.347 -5.181 297 2HB CYS 38 HB1 CYS 38 -6.135 3.957 -4.843 298 H PHE 39 HN PHE 39 -4.187 4.596 -3.206 299 HA PHE 39 HA PHE 39 -1.841 5.176 -4.749 300 1HB PHE 39 HB2 PHE 39 -2.978 6.988 -3.777 301 2HB PHE 39 HB1 PHE 39 -3.138 6.175 -2.223 302 HD1 PHE 39 HD1 PHE 39 -1.602 6.594 -0.499 303 HD2 PHE 39 HD2 PHE 39 -0.576 7.614 -4.543 304 HE1 PHE 39 HE1 PHE 39 0.459 7.714 0.306 305 HE2 PHE 39 HE2 PHE 39 1.485 8.733 -3.738 306 HZ PHE 39 HZ PHE 39 2.003 8.782 -1.314 307 H ARG 40 HN ARG 40 -2.251 3.719 -1.511 308 HA ARG 40 HA ARG 40 0.702 3.387 -1.309 309 1HB ARG 40 HB2 ARG 40 -1.591 3.698 0.501 310 2HB ARG 40 HB1 ARG 40 -0.437 2.478 1.033 311 1HG ARG 40 HG2 ARG 40 1.224 4.518 0.218 312 2HG ARG 40 HG1 ARG 40 -0.141 5.402 0.902 313 1HD ARG 40 HD2 ARG 40 0.243 4.611 3.041 314 2HD ARG 40 HD1 ARG 40 0.901 3.068 2.461 315 HE ARG 40 HE ARG 40 2.428 5.617 2.089 316 1HH1 ARG 40 HH21 ARG 40 2.661 4.017 4.715 317 2HH1 ARG 40 HH22 ARG 40 4.094 3.097 4.401 318 1HH2 ARG 40 HH11 ARG 40 4.059 3.708 0.979 319 2HH2 ARG 40 HH12 ARG 40 4.890 2.927 2.282 320 H TYR 41 HN TYR 41 -2.221 1.357 -0.747 321 HA TYR 41 HA TYR 41 -0.605 -1.079 -0.797 322 1HB TYR 41 HB2 TYR 41 -3.568 -0.503 -0.645 323 2HB TYR 41 HB1 TYR 41 -2.886 -2.122 -0.525 324 HD1 TYR 41 HD1 TYR 41 -1.764 -2.867 1.469 325 HD2 TYR 41 HD2 TYR 41 -3.031 1.220 1.080 326 HE1 TYR 41 HE1 TYR 41 -1.319 -2.498 3.882 327 HE2 TYR 41 HE2 TYR 41 -2.585 1.588 3.490 328 HH TYR 41 HH TYR 41 -2.499 0.052 5.598 329 H GLY 42 HN GLY 42 -2.855 0.540 -3.008 330 1HA GLY 42 HA2 GLY 42 -2.630 0.344 -5.409 331 2HA GLY 42 HA1 GLY 42 -1.849 -1.215 -5.184 332 H ASP 43 HN ASP 43 -4.620 -0.913 -3.201 333 HA ASP 43 HA ASP 43 -6.168 -2.602 -5.124 334 1HB ASP 43 HB2 ASP 43 -6.641 -2.310 -2.154 335 2HB ASP 43 HB1 ASP 43 -7.121 -3.634 -3.202 336 H CYS 44 HN CYS 44 -8.473 -2.223 -5.286 337 HA CYS 44 HA CYS 44 -10.396 -0.874 -5.511 338 1HB CYS 44 HB2 CYS 44 -9.214 0.755 -3.255 339 2HB CYS 44 HB1 CYS 44 -10.911 0.545 -3.644 340 H CYS 45 HN CYS 45 -8.171 -0.313 -7.177 341 HA CYS 45 HA CYS 45 -7.644 2.570 -7.223 342 1HB CYS 45 HB2 CYS 45 -6.994 0.163 -8.921 343 2HB CYS 45 HB1 CYS 45 -6.579 1.787 -9.461 344 H HIS 46 HN HIS 46 -9.287 0.294 -9.446 345 HA HIS 46 HA HIS 46 -10.492 2.456 -10.983 346 1HB HIS 46 HB2 HIS 46 -11.504 0.584 -12.224 347 2HB HIS 46 HB1 HIS 46 -9.798 0.264 -11.937 348 HD1 HIS 46 HD1 HIS 46 -9.194 -1.722 -10.430 349 HD2 HIS 46 HD2 HIS 46 -13.299 -1.035 -10.643 350 HE1 HIS 46 HE1 HIS 46 -10.312 -3.722 -9.352 351 H LEU 47 HN LEU 47 -13.111 1.355 -11.310 352 HA LEU 47 HA LEU 47 -15.271 1.577 -10.409 353 1HB LEU 47 HB2 LEU 47 -14.049 -0.355 -9.147 354 2HB LEU 47 HB1 LEU 47 -14.027 0.766 -7.788 355 HG LEU 47 HG LEU 47 -16.633 0.539 -9.171 356 1HD1 LEU 47 HD11 LEU 47 -17.188 -1.612 -8.115 357 2HD1 LEU 47 HD12 LEU 47 -15.534 -1.755 -7.518 358 3HD1 LEU 47 HD13 LEU 47 -15.854 -1.810 -9.252 359 1HD2 LEU 47 HD21 LEU 47 -15.585 0.657 -6.343 360 2HD2 LEU 47 HD22 LEU 47 -17.274 0.267 -6.667 361 3HD2 LEU 47 HD23 LEU 47 -16.613 1.817 -7.184 Start of MODEL 20 1 1H HIS 1 HT1 HIS 1 -35.409 -2.489 -10.033 2 2H HIS 1 HT2 HIS 1 -36.180 -2.839 -8.560 3 3H HIS 1 HT3 HIS 1 -36.539 -3.752 -9.947 4 HA HIS 1 HA HIS 1 -35.066 -4.978 -8.431 5 1HB HIS 1 HB2 HIS 1 -35.074 -5.357 -10.858 6 2HB HIS 1 HB1 HIS 1 -33.939 -4.027 -11.089 7 HD1 HIS 1 HD1 HIS 1 -34.077 -7.301 -9.114 8 HD2 HIS 1 HD2 HIS 1 -31.318 -4.879 -11.090 9 HE1 HIS 1 HE1 HIS 1 -31.850 -8.497 -8.982 10 H SER 2 HN SER 2 -33.521 -4.713 -6.874 11 HA SER 2 HA SER 2 -31.868 -3.669 -5.550 12 1HB SER 2 HB2 SER 2 -30.812 -3.167 -8.352 13 2HB SER 2 HB1 SER 2 -29.846 -3.146 -6.880 14 HG SER 2 HG SER 2 -30.065 -5.186 -8.252 15 H SER 3 HN SER 3 -33.720 -1.970 -5.214 16 HA SER 3 HA SER 3 -33.264 0.645 -6.496 17 1HB SER 3 HB2 SER 3 -35.133 1.221 -4.782 18 2HB SER 3 HB1 SER 3 -35.529 0.095 -6.076 19 HG SER 3 HG SER 3 -34.794 -0.511 -3.397 20 H GLY 4 HN GLY 4 -31.006 0.891 -5.691 21 1HA GLY 4 HA2 GLY 4 -29.633 2.205 -4.264 22 2HA GLY 4 HA1 GLY 4 -30.960 2.287 -3.108 23 H TYR 5 HN TYR 5 -31.258 0.539 -1.627 24 HA TYR 5 HA TYR 5 -30.599 -1.265 -0.254 25 1HB TYR 5 HB2 TYR 5 -30.249 -2.121 -2.769 26 2HB TYR 5 HB1 TYR 5 -28.559 -2.115 -2.269 27 HD1 TYR 5 HD1 TYR 5 -31.891 -3.577 -1.661 28 HD2 TYR 5 HD2 TYR 5 -27.746 -3.618 -0.533 29 HE1 TYR 5 HE1 TYR 5 -32.246 -5.703 -0.436 30 HE2 TYR 5 HE2 TYR 5 -28.101 -5.744 0.692 31 HH TYR 5 HH TYR 5 -30.231 -6.880 1.821 32 H THR 6 HN THR 6 -28.878 -1.803 1.210 33 HA THR 6 HA THR 6 -26.915 0.334 1.594 34 HB THR 6 HB THR 6 -27.381 -2.295 3.045 35 HG1 THR 6 HG1 THR 6 -28.382 0.321 3.510 36 1HG2 THR 6 HG21 THR 6 -26.317 -1.060 4.952 37 2HG2 THR 6 HG22 THR 6 -25.920 0.241 3.830 38 3HG2 THR 6 HG23 THR 6 -25.216 -1.361 3.608 39 H ARG 7 HN ARG 7 -24.800 0.262 0.947 40 HA ARG 7 HA ARG 7 -23.810 -1.911 -0.700 41 1HB ARG 7 HB2 ARG 7 -22.635 0.609 0.499 42 2HB ARG 7 HB1 ARG 7 -21.685 -0.472 -0.519 43 1HG ARG 7 HG2 ARG 7 -24.242 0.060 -1.763 44 2HG ARG 7 HG1 ARG 7 -23.431 1.578 -1.375 45 1HD ARG 7 HD2 ARG 7 -21.471 0.951 -2.631 46 2HD ARG 7 HD1 ARG 7 -22.058 -0.712 -2.823 47 HE ARG 7 HE ARG 7 -23.400 1.673 -4.051 48 1HH1 ARG 7 HH11 ARG 7 -25.096 -0.770 -3.812 49 2HH1 ARG 7 HH12 ARG 7 -24.810 -1.574 -5.318 50 1HH2 ARG 7 HH21 ARG 7 -21.940 0.250 -6.044 51 2HH2 ARG 7 HH22 ARG 7 -23.017 -0.992 -6.590 52 HA PRO 8 HA PRO 8 -22.026 -4.416 2.457 53 1HB PRO 8 HB2 PRO 8 -20.018 -5.614 1.031 54 2HB PRO 8 HB1 PRO 8 -21.731 -6.038 0.838 55 1HG PRO 8 HG2 PRO 8 -20.008 -4.302 -0.858 56 2HG PRO 8 HG1 PRO 8 -21.261 -5.459 -1.334 57 1HD PRO 8 HD2 PRO 8 -21.650 -2.763 -1.271 58 2HD PRO 8 HD1 PRO 8 -22.953 -3.948 -1.034 59 H LEU 9 HN LEU 9 -20.531 -4.038 4.049 60 HA LEU 9 HA LEU 9 -18.643 -3.221 5.184 61 1HB LEU 9 HB2 LEU 9 -17.620 -4.377 3.110 62 2HB LEU 9 HB1 LEU 9 -17.433 -2.750 2.459 63 HG LEU 9 HG LEU 9 -16.240 -2.156 4.637 64 1HD1 LEU 9 HD11 LEU 9 -16.850 -3.909 6.106 65 2HD1 LEU 9 HD12 LEU 9 -15.178 -4.274 5.683 66 3HD1 LEU 9 HD13 LEU 9 -16.496 -5.153 4.908 67 1HD2 LEU 9 HD21 LEU 9 -14.120 -3.356 3.900 68 2HD2 LEU 9 HD22 LEU 9 -14.941 -2.442 2.634 69 3HD2 LEU 9 HD23 LEU 9 -15.107 -4.197 2.704 70 H ARG 10 HN ARG 10 -18.076 -1.201 5.987 71 HA ARG 10 HA ARG 10 -19.520 1.130 5.191 72 1HB ARG 10 HB2 ARG 10 -17.073 0.572 6.877 73 2HB ARG 10 HB1 ARG 10 -17.667 2.218 6.663 74 1HG ARG 10 HG2 ARG 10 -19.761 0.254 7.351 75 2HG ARG 10 HG1 ARG 10 -18.550 0.497 8.609 76 1HD ARG 10 HD2 ARG 10 -18.984 3.080 7.958 77 2HD ARG 10 HD1 ARG 10 -20.575 2.410 7.545 78 HE ARG 10 HE ARG 10 -20.735 1.541 9.849 79 1HH1 ARG 10 HH21 ARG 10 -17.912 1.377 10.655 80 2HH1 ARG 10 HH22 ARG 10 -17.696 2.786 11.638 81 1HH2 ARG 10 HH11 ARG 10 -20.562 4.365 10.462 82 2HH2 ARG 10 HH12 ARG 10 -19.203 4.485 11.528 83 H LYS 11 HN LYS 11 -19.046 2.696 3.676 84 HA LYS 11 HA LYS 11 -17.955 3.839 1.945 85 1HB LYS 11 HB2 LYS 11 -15.473 2.728 3.295 86 2HB LYS 11 HB1 LYS 11 -15.566 4.137 2.246 87 1HG LYS 11 HG2 LYS 11 -17.350 4.965 4.005 88 2HG LYS 11 HG1 LYS 11 -16.524 3.824 5.068 89 1HD LYS 11 HD2 LYS 11 -14.364 4.925 4.558 90 2HD LYS 11 HD1 LYS 11 -15.209 6.085 3.531 91 1HE LYS 11 HE2 LYS 11 -16.589 6.758 5.536 92 2HE LYS 11 HE1 LYS 11 -15.544 5.724 6.530 93 1HZ LYS 11 HZ1 LYS 11 -13.616 6.933 5.689 94 2HZ LYS 11 HZ2 LYS 11 -14.694 7.990 6.467 95 3HZ LYS 11 HZ3 LYS 11 -14.625 7.942 4.771 96 HA PRO 12 HA PRO 12 -17.567 0.015 -0.508 97 1HB PRO 12 HB2 PRO 12 -19.000 0.952 -2.644 98 2HB PRO 12 HB1 PRO 12 -19.760 0.256 -1.201 99 1HG PRO 12 HG2 PRO 12 -19.458 3.097 -1.995 100 2HG PRO 12 HG1 PRO 12 -20.787 2.294 -1.146 101 1HD PRO 12 HD2 PRO 12 -18.861 3.846 0.065 102 2HD PRO 12 HD1 PRO 12 -19.833 2.610 0.892 103 H SER 13 HN SER 13 -17.330 0.369 -3.312 104 HA SER 13 HA SER 13 -15.816 0.991 -5.001 105 1HB SER 13 HB2 SER 13 -16.627 3.265 -4.020 106 2HB SER 13 HB1 SER 13 -15.045 3.321 -3.250 107 HG SER 13 HG SER 13 -14.436 4.083 -5.119 108 H ARG 14 HN ARG 14 -13.288 1.849 -5.068 109 HA ARG 14 HA ARG 14 -11.794 -0.248 -3.708 110 1HB ARG 14 HB2 ARG 14 -9.915 0.697 -5.005 111 2HB ARG 14 HB1 ARG 14 -11.343 0.506 -6.018 112 1HG ARG 14 HG2 ARG 14 -11.559 3.082 -4.879 113 2HG ARG 14 HG1 ARG 14 -9.876 2.919 -5.381 114 1HD ARG 14 HD2 ARG 14 -10.933 1.938 -7.597 115 2HD ARG 14 HD1 ARG 14 -12.366 2.839 -7.064 116 HE ARG 14 HE ARG 14 -10.013 4.483 -6.798 117 1HH1 ARG 14 HH21 ARG 14 -9.724 3.331 -9.580 118 2HH1 ARG 14 HH22 ARG 14 -10.579 4.497 -10.532 119 1HH2 ARG 14 HH11 ARG 14 -12.195 5.925 -7.804 120 2HH2 ARG 14 HH12 ARG 14 -11.983 5.974 -9.523 121 HA PRO 15 HA PRO 15 -10.765 2.182 -0.133 122 1HB PRO 15 HB2 PRO 15 -8.912 0.476 0.925 123 2HB PRO 15 HB1 PRO 15 -10.659 0.176 1.007 124 1HG PRO 15 HG2 PRO 15 -8.618 -1.009 -0.794 125 2HG PRO 15 HG1 PRO 15 -10.050 -1.750 -0.064 126 1HD PRO 15 HD2 PRO 15 -9.896 -0.903 -2.675 127 2HD PRO 15 HD1 PRO 15 -11.410 -1.084 -1.763 128 H ILE 16 HN ILE 16 -8.787 3.174 0.838 129 HA ILE 16 HA ILE 16 -7.024 4.270 -1.190 130 HB ILE 16 HB ILE 16 -6.036 5.439 0.773 131 1HG1 ILE 16 HG12 ILE 16 -8.022 4.172 2.605 132 2HG1 ILE 16 HG11 ILE 16 -6.590 3.224 2.205 133 1HG2 ILE 16 HG21 ILE 16 -8.019 6.669 1.389 134 2HG2 ILE 16 HG22 ILE 16 -9.056 5.306 0.970 135 3HG2 ILE 16 HG23 ILE 16 -8.195 6.180 -0.296 136 1HD1 ILE 16 HD11 ILE 16 -6.099 4.526 4.190 137 2HD1 ILE 16 HD12 ILE 16 -6.648 6.007 3.404 138 3HD1 ILE 16 HD13 ILE 16 -5.180 5.204 2.846 139 H PHE 17 HN PHE 17 -4.564 4.287 -0.741 140 HA PHE 17 HA PHE 17 -3.526 1.610 -0.933 141 1HB PHE 17 HB2 PHE 17 -2.338 4.372 -0.599 142 2HB PHE 17 HB1 PHE 17 -1.327 2.939 -0.758 143 HD1 PHE 17 HD1 PHE 17 -3.394 5.351 -2.499 144 HD2 PHE 17 HD2 PHE 17 -1.572 1.472 -2.814 145 HE1 PHE 17 HE1 PHE 17 -3.686 5.413 -4.960 146 HE2 PHE 17 HE2 PHE 17 -1.864 1.536 -5.276 147 HZ PHE 17 HZ PHE 17 -2.921 3.507 -6.348 148 H ILE 18 HN ILE 18 -2.152 0.506 0.577 149 HA ILE 18 HA ILE 18 -2.599 1.280 3.430 150 HB ILE 18 HB ILE 18 -2.255 -1.125 3.862 151 1HG1 ILE 18 HG12 ILE 18 -2.032 -1.485 0.863 152 2HG1 ILE 18 HG11 ILE 18 -0.615 -1.375 1.905 153 1HG2 ILE 18 HG21 ILE 18 -4.264 -1.947 2.782 154 2HG2 ILE 18 HG22 ILE 18 -4.143 -0.716 1.525 155 3HG2 ILE 18 HG23 ILE 18 -4.509 -0.248 3.186 156 1HD1 ILE 18 HD11 ILE 18 -1.378 -3.738 1.446 157 2HD1 ILE 18 HD12 ILE 18 -2.856 -3.369 2.333 158 3HD1 ILE 18 HD13 ILE 18 -1.298 -3.324 3.158 159 H ARG 19 HN ARG 19 -0.706 0.129 4.797 160 HA ARG 19 HA ARG 19 1.520 0.153 5.476 161 1HB ARG 19 HB2 ARG 19 2.865 -0.836 3.943 162 2HB ARG 19 HB1 ARG 19 1.425 -0.877 2.940 163 1HG ARG 19 HG2 ARG 19 2.502 0.378 1.423 164 2HG ARG 19 HG1 ARG 19 2.552 1.697 2.579 165 1HD ARG 19 HD2 ARG 19 4.835 1.363 2.068 166 2HD ARG 19 HD1 ARG 19 4.633 0.431 3.562 167 HE ARG 19 HE ARG 19 5.168 -1.459 2.259 168 1HH1 ARG 19 HH21 ARG 19 4.855 0.970 0.009 169 2HH1 ARG 19 HH22 ARG 19 4.247 -0.027 -1.269 170 1HH2 ARG 19 HH11 ARG 19 3.793 -2.811 0.760 171 2HH2 ARG 19 HH12 ARG 19 3.644 -2.174 -0.842 172 HA PRO 20 HA PRO 20 2.550 4.406 5.753 173 1HB PRO 20 HB2 PRO 20 5.129 4.200 6.659 174 2HB PRO 20 HB1 PRO 20 3.705 3.895 7.678 175 1HG PRO 20 HG2 PRO 20 5.516 1.966 6.322 176 2HG PRO 20 HG1 PRO 20 4.747 1.866 7.911 177 1HD PRO 20 HD2 PRO 20 3.837 0.525 5.727 178 2HD PRO 20 HD1 PRO 20 2.791 1.046 7.062 179 H ILE 21 HN ILE 21 4.439 5.936 5.121 180 HA ILE 21 HA ILE 21 4.941 5.663 2.276 181 HB ILE 21 HB ILE 21 5.314 7.635 4.483 182 1HG1 ILE 21 HG12 ILE 21 3.301 7.482 2.988 183 2HG1 ILE 21 HG11 ILE 21 4.086 9.056 2.976 184 1HG2 ILE 21 HG21 ILE 21 7.539 7.688 3.426 185 2HG2 ILE 21 HG22 ILE 21 6.633 9.153 3.051 186 3HG2 ILE 21 HG23 ILE 21 6.788 7.880 1.842 187 1HD1 ILE 21 HD11 ILE 21 3.485 7.516 0.734 188 2HD1 ILE 21 HD12 ILE 21 5.215 7.267 0.965 189 3HD1 ILE 21 HD13 ILE 21 4.576 8.900 0.776 190 H GLY 22 HN GLY 22 7.175 6.011 1.397 191 1HA GLY 22 HA2 GLY 22 9.602 5.794 1.666 192 2HA GLY 22 HA1 GLY 22 9.307 4.750 3.053 193 H CYS 23 HN CYS 23 7.812 2.790 2.389 194 HA CYS 23 HA CYS 23 9.286 1.198 0.472 195 1HB CYS 23 HB2 CYS 23 6.840 0.946 2.176 196 2HB CYS 23 HB1 CYS 23 7.118 -0.271 0.941 197 H ASP 24 HN ASP 24 6.363 3.144 0.261 198 HA ASP 24 HA ASP 24 5.497 2.011 -2.294 199 1HB ASP 24 HB2 ASP 24 4.385 3.451 -0.219 200 2HB ASP 24 HB1 ASP 24 4.517 4.665 -1.486 201 H VAL 25 HN VAL 25 8.198 3.729 -1.694 202 HA VAL 25 HA VAL 25 8.101 5.132 -4.310 203 HB VAL 25 HB VAL 25 9.335 6.268 -1.776 204 1HG1 VAL 25 HG11 VAL 25 8.855 7.239 -4.577 205 2HG1 VAL 25 HG12 VAL 25 10.297 7.396 -3.574 206 3HG1 VAL 25 HG13 VAL 25 8.887 8.405 -3.254 207 1HG2 VAL 25 HG21 VAL 25 7.024 6.241 -1.247 208 2HG2 VAL 25 HG22 VAL 25 6.551 6.585 -2.911 209 3HG2 VAL 25 HG23 VAL 25 7.284 7.849 -1.922 210 H CYS 26 HN CYS 26 9.198 2.825 -4.475 211 HA CYS 26 HA CYS 26 11.703 2.121 -3.478 212 1HB CYS 26 HB2 CYS 26 10.398 1.809 -6.186 213 2HB CYS 26 HB1 CYS 26 11.946 1.054 -5.825 214 H TYR 27 HN TYR 27 10.976 4.678 -5.775 215 HA TYR 27 HA TYR 27 13.879 5.041 -6.361 216 1HB TYR 27 HB2 TYR 27 11.545 6.490 -7.620 217 2HB TYR 27 HB1 TYR 27 13.148 6.224 -8.295 218 HD1 TYR 27 HD1 TYR 27 9.790 5.019 -8.135 219 HD2 TYR 27 HD2 TYR 27 13.851 3.748 -8.725 220 HE1 TYR 27 HE1 TYR 27 8.982 2.941 -9.217 221 HE2 TYR 27 HE2 TYR 27 13.042 1.669 -9.808 222 HH TYR 27 HH TYR 27 10.361 1.202 -11.114 223 H GLY 28 HN GLY 28 14.942 6.650 -5.296 224 1HA GLY 28 HA2 GLY 28 15.038 9.052 -4.715 225 2HA GLY 28 HA1 GLY 28 13.348 8.944 -4.232 226 H ILE 29 HN ILE 29 13.887 6.284 -2.878 227 HA ILE 29 HA ILE 29 14.691 7.421 -0.299 228 HB ILE 29 HB ILE 29 14.003 5.236 0.566 229 1HG1 ILE 29 HG12 ILE 29 13.713 4.397 -2.338 230 2HG1 ILE 29 HG11 ILE 29 15.025 3.886 -1.276 231 1HG2 ILE 29 HG21 ILE 29 12.243 6.856 0.005 232 2HG2 ILE 29 HG22 ILE 29 11.685 5.207 -0.271 233 3HG2 ILE 29 HG23 ILE 29 12.165 6.216 -1.636 234 1HD1 ILE 29 HD11 ILE 29 13.420 2.128 -1.175 235 2HD1 ILE 29 HD12 ILE 29 12.077 3.262 -1.021 236 3HD1 ILE 29 HD13 ILE 29 13.203 3.041 0.318 237 HA PRO 30 HA PRO 30 18.833 6.030 -0.248 238 1HB PRO 30 HB2 PRO 30 19.147 5.365 2.393 239 2HB PRO 30 HB1 PRO 30 19.068 7.037 1.800 240 1HG PRO 30 HG2 PRO 30 17.010 5.417 3.170 241 2HG PRO 30 HG1 PRO 30 17.296 7.158 3.222 242 1HD PRO 30 HD2 PRO 30 15.297 5.917 1.760 243 2HD PRO 30 HD1 PRO 30 15.917 7.551 1.461 244 H SER 31 HN SER 31 20.187 4.140 -0.114 245 HA SER 31 HA SER 31 19.000 1.670 -0.850 246 1HB SER 31 HB2 SER 31 21.423 2.664 -1.044 247 2HB SER 31 HB1 SER 31 21.679 1.869 0.506 248 HG SER 31 HG SER 31 21.840 0.768 -1.828 249 H SER 32 HN SER 32 20.107 2.804 2.355 250 HA SER 32 HA SER 32 19.802 0.321 3.743 251 1HB SER 32 HB2 SER 32 20.897 2.587 4.418 252 2HB SER 32 HB1 SER 32 19.276 3.049 4.931 253 HG SER 32 HG SER 32 20.595 2.052 6.587 254 H THR 33 HN THR 33 17.515 3.029 3.252 255 HA THR 33 HA THR 33 15.331 1.776 4.693 256 HB THR 33 HB THR 33 15.405 3.900 2.522 257 HG1 THR 33 HG1 THR 33 15.253 4.162 5.345 258 1HG2 THR 33 HG21 THR 33 13.217 2.736 4.149 259 2HG2 THR 33 HG22 THR 33 13.153 3.529 2.574 260 3HG2 THR 33 HG23 THR 33 13.240 4.497 4.046 261 H ALA 34 HN ALA 34 16.324 1.937 1.281 262 HA ALA 34 HA ALA 34 14.099 0.548 0.144 263 1HB ALA 34 HB1 ALA 34 15.835 1.888 -1.059 264 2HB ALA 34 HB2 ALA 34 15.624 0.284 -1.761 265 3HB ALA 34 HB3 ALA 34 17.009 0.616 -0.722 266 H ARG 35 HN ARG 35 17.198 -0.640 1.487 267 HA ARG 35 HA ARG 35 16.834 -3.404 0.777 268 1HB ARG 35 HB2 ARG 35 18.954 -2.256 1.538 269 2HB ARG 35 HB1 ARG 35 18.287 -2.224 3.170 270 1HG ARG 35 HG2 ARG 35 18.545 -4.489 3.469 271 2HG ARG 35 HG1 ARG 35 18.269 -4.852 1.766 272 1HD ARG 35 HD2 ARG 35 20.784 -3.447 2.713 273 2HD ARG 35 HD1 ARG 35 20.670 -5.214 2.591 274 HE ARG 35 HE ARG 35 20.443 -3.318 0.298 275 1HH1 ARG 35 HH11 ARG 35 22.639 -5.243 0.225 276 2HH1 ARG 35 HH12 ARG 35 21.995 -6.563 -0.692 277 1HH2 ARG 35 HH21 ARG 35 18.688 -5.563 -0.298 278 2HH2 ARG 35 HH22 ARG 35 19.747 -6.744 -0.992 279 H LEU 36 HN LEU 36 15.984 -1.544 3.703 280 HA LEU 36 HA LEU 36 14.871 -3.760 5.183 281 1HB LEU 36 HB2 LEU 36 15.590 -1.242 5.761 282 2HB LEU 36 HB1 LEU 36 13.870 -0.956 5.498 283 HG LEU 36 HG LEU 36 13.529 -3.010 7.071 284 1HD1 LEU 36 HD11 LEU 36 16.007 -3.557 7.023 285 2HD1 LEU 36 HD12 LEU 36 15.309 -3.431 8.637 286 3HD1 LEU 36 HD13 LEU 36 16.273 -2.105 7.987 287 1HD2 LEU 36 HD21 LEU 36 12.865 -0.764 7.711 288 2HD2 LEU 36 HD22 LEU 36 14.540 -0.314 8.030 289 3HD2 LEU 36 HD23 LEU 36 13.728 -1.487 9.068 290 H CYS 37 HN CYS 37 13.513 -1.388 2.911 291 HA CYS 37 HA CYS 37 10.741 -2.023 3.222 292 1HB CYS 37 HB2 CYS 37 12.540 -0.627 1.341 293 2HB CYS 37 HB1 CYS 37 11.072 -1.251 0.602 294 H CYS 38 HN CYS 38 13.336 -3.577 1.392 295 HA CYS 38 HA CYS 38 11.476 -5.350 -0.065 296 1HB CYS 38 HB2 CYS 38 13.446 -4.516 -1.199 297 2HB CYS 38 HB1 CYS 38 14.489 -5.039 0.120 298 H PHE 39 HN PHE 39 13.808 -5.480 2.598 299 HA PHE 39 HA PHE 39 13.752 -8.325 3.018 300 1HB PHE 39 HB2 PHE 39 15.581 -7.138 3.901 301 2HB PHE 39 HB1 PHE 39 14.557 -5.869 4.565 302 HD1 PHE 39 HD1 PHE 39 15.295 -9.526 4.917 303 HD2 PHE 39 HD2 PHE 39 13.923 -5.928 6.823 304 HE1 PHE 39 HE1 PHE 39 15.244 -10.701 7.100 305 HE2 PHE 39 HE2 PHE 39 13.873 -7.104 9.005 306 HZ PHE 39 HZ PHE 39 14.533 -9.490 9.144 307 H ARG 40 HN ARG 40 11.860 -5.645 4.419 308 HA ARG 40 HA ARG 40 10.322 -7.591 6.060 309 1HB ARG 40 HB2 ARG 40 11.096 -4.779 6.174 310 2HB ARG 40 HB1 ARG 40 9.388 -5.010 6.533 311 1HG ARG 40 HG2 ARG 40 10.414 -7.039 7.988 312 2HG ARG 40 HG1 ARG 40 11.778 -5.922 8.046 313 1HD ARG 40 HD2 ARG 40 10.676 -4.863 9.729 314 2HD ARG 40 HD1 ARG 40 9.529 -4.300 8.499 315 HE ARG 40 HE ARG 40 9.188 -6.923 9.915 316 1HH1 ARG 40 HH21 ARG 40 7.923 -4.132 10.685 317 2HH1 ARG 40 HH22 ARG 40 6.309 -4.389 10.113 318 1HH2 ARG 40 HH11 ARG 40 7.135 -7.211 8.256 319 2HH2 ARG 40 HH12 ARG 40 5.861 -6.139 8.733 320 H TYR 41 HN TYR 41 9.447 -4.740 4.044 321 HA TYR 41 HA TYR 41 6.719 -5.653 3.719 322 1HB TYR 41 HB2 TYR 41 8.428 -3.527 2.426 323 2HB TYR 41 HB1 TYR 41 6.733 -3.755 2.017 324 HD1 TYR 41 HD1 TYR 41 4.962 -3.300 3.647 325 HD2 TYR 41 HD2 TYR 41 9.100 -2.652 4.600 326 HE1 TYR 41 HE1 TYR 41 4.294 -1.942 5.608 327 HE2 TYR 41 HE2 TYR 41 8.434 -1.299 6.569 328 HH TYR 41 HH TYR 41 6.295 0.113 7.184 329 H GLY 42 HN GLY 42 9.571 -5.655 1.586 330 1HA GLY 42 HA2 GLY 42 9.932 -7.513 0.036 331 2HA GLY 42 HA1 GLY 42 8.187 -7.687 -0.101 332 H ASP 43 HN ASP 43 9.113 -4.396 -0.141 333 HA ASP 43 HA ASP 43 8.698 -4.315 -3.097 334 1HB ASP 43 HB2 ASP 43 8.713 -1.921 -1.280 335 2HB ASP 43 HB1 ASP 43 7.801 -2.173 -2.756 336 H CYS 44 HN CYS 44 10.042 -2.779 -4.328 337 HA CYS 44 HA CYS 44 12.124 -1.891 -5.003 338 1HB CYS 44 HB2 CYS 44 12.711 -1.637 -2.045 339 2HB CYS 44 HB1 CYS 44 13.292 -0.615 -3.348 340 H CYS 45 HN CYS 45 11.882 -4.736 -4.714 341 HA CYS 45 HA CYS 45 14.359 -5.690 -3.411 342 1HB CYS 45 HB2 CYS 45 11.974 -6.933 -4.793 343 2HB CYS 45 HB1 CYS 45 13.363 -7.900 -4.305 344 H HIS 46 HN HIS 46 12.877 -6.099 -6.648 345 HA HIS 46 HA HIS 46 15.513 -6.685 -7.831 346 1HB HIS 46 HB2 HIS 46 12.658 -6.595 -8.848 347 2HB HIS 46 HB1 HIS 46 14.029 -7.000 -9.879 348 HD1 HIS 46 HD1 HIS 46 11.677 -8.479 -7.508 349 HD2 HIS 46 HD2 HIS 46 15.517 -9.376 -8.862 350 HE1 HIS 46 HE1 HIS 46 12.121 -10.887 -6.861 351 H LEU 47 HN LEU 47 16.511 -4.560 -7.570 352 HA LEU 47 HA LEU 47 15.389 -2.449 -9.384 353 1HB LEU 47 HB2 LEU 47 16.527 -2.474 -6.647 354 2HB LEU 47 HB1 LEU 47 17.075 -1.147 -7.671 355 HG LEU 47 HG LEU 47 14.146 -1.832 -7.499 356 1HD1 LEU 47 HD11 LEU 47 13.867 -0.343 -5.638 357 2HD1 LEU 47 HD12 LEU 47 15.556 0.160 -5.704 358 3HD1 LEU 47 HD13 LEU 47 15.141 -1.473 -5.182 359 1HD2 LEU 47 HD21 LEU 47 14.903 -0.294 -9.266 360 2HD2 LEU 47 HD22 LEU 47 15.705 0.713 -8.061 361 3HD2 LEU 47 HD23 LEU 47 13.947 0.577 -8.066
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