NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
559991 | 2m4h | 19003 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 10 HT1 GLY 10 -10.479 7.814 -0.585 2 H2 GLY 10 HT2 GLY 10 -10.898 7.565 -2.202 3 H3 GLY 10 HT3 GLY 10 -9.436 8.317 -1.816 4 HA2 GLY 10 HA1 GLY 10 -9.041 6.041 -2.480 5 HA3 GLY 10 HA2 GLY 10 -8.623 6.288 -0.789 6 H THR 11 HN THR 11 -8.937 3.781 -1.147 7 HA THR 11 HA THR 11 -11.589 2.804 -1.189 8 HB THR 11 HB THR 11 -10.035 0.900 0.150 9 HG1 THR 11 HG1 THR 11 -8.556 2.188 -1.928 10 HG21 THR 11 HG21 THR 11 -11.725 0.553 -1.594 11 HG22 THR 11 HG22 THR 11 -10.237 -0.351 -1.862 12 HG23 THR 11 HG23 THR 11 -10.559 1.112 -2.795 13 H TYR 12 HN TYR 12 -9.869 1.486 1.460 14 HA TYR 12 HA TYR 12 -11.411 2.700 3.514 15 HB2 TYR 12 HB2 TYR 12 -12.140 -0.139 2.892 16 HB3 TYR 12 HB1 TYR 12 -12.921 0.956 4.013 17 HD1 TYR 12 HD2 TYR 12 -14.432 2.685 3.193 18 HD2 TYR 12 HD1 TYR 12 -12.706 -0.170 0.580 19 HE1 TYR 12 HE2 TYR 12 -16.093 3.263 1.504 20 HE2 TYR 12 HE1 TYR 12 -14.368 0.394 -1.146 21 HH TYR 12 HH TYR 12 -16.649 1.387 -1.256 22 H ARG 13 HN ARG 13 -11.422 0.645 5.334 23 HA ARG 13 HA ARG 13 -9.326 -1.250 4.897 24 HB2 ARG 13 HB2 ARG 13 -7.956 0.585 5.719 25 HB3 ARG 13 HB1 ARG 13 -8.999 0.757 7.125 26 HG2 ARG 13 HG2 ARG 13 -8.384 -1.486 7.867 27 HG3 ARG 13 HG1 ARG 13 -7.334 -1.663 6.458 28 HD2 ARG 13 HD2 ARG 13 -6.100 -1.062 8.491 29 HD3 ARG 13 HD1 ARG 13 -5.948 0.139 7.216 30 HE ARG 13 HE ARG 13 -7.613 1.477 8.448 31 HH11 ARG 13 HH11 ARG 13 -5.860 -1.014 10.180 32 HH12 ARG 13 HH12 ARG 13 -6.035 -0.242 11.719 33 HH21 ARG 13 HH21 ARG 13 -7.854 2.484 10.475 34 HH22 ARG 13 HH22 ARG 13 -7.174 1.747 11.888 35 H GLY 14 HN GLY 14 -9.562 -3.068 6.157 36 HA2 GLY 14 HA2 GLY 14 -10.331 -4.398 7.894 37 HA3 GLY 14 HA1 GLY 14 -11.128 -2.995 8.581 38 H ARG 15 HN ARG 15 -12.587 -2.419 6.098 39 HA ARG 15 HA ARG 15 -14.830 -4.088 6.711 40 HB2 ARG 15 HB2 ARG 15 -16.002 -2.610 5.005 41 HB3 ARG 15 HB1 ARG 15 -15.374 -1.810 6.436 42 HG2 ARG 15 HG2 ARG 15 -14.704 -0.353 4.836 43 HG3 ARG 15 HG1 ARG 15 -13.290 -1.402 4.888 44 HD2 ARG 15 HD2 ARG 15 -13.936 -0.925 2.593 45 HD3 ARG 15 HD1 ARG 15 -14.145 -2.650 2.967 46 HE ARG 15 HE ARG 15 -16.575 -1.331 3.456 47 HH11 ARG 15 HH11 ARG 15 -14.544 -2.198 0.731 48 HH12 ARG 15 HH12 ARG 15 -15.872 -2.332 -0.374 49 HH21 ARG 15 HH21 ARG 15 -18.315 -1.520 2.005 50 HH22 ARG 15 HH22 ARG 15 -18.016 -1.937 0.347 51 H GLY 16 HN GLY 16 -12.956 -5.735 5.661 52 HA2 GLY 16 HA2 GLY 16 -12.781 -7.424 4.101 53 HA3 GLY 16 HA1 GLY 16 -14.358 -6.919 3.499 54 H VAL 17 HN VAL 17 -11.709 -4.724 3.740 55 HA VAL 17 HA VAL 17 -12.011 -3.599 1.275 56 HB VAL 17 HB VAL 17 -9.415 -3.097 1.434 57 HG11 VAL 17 HG11 VAL 17 -11.285 -1.554 1.635 58 HG12 VAL 17 HG12 VAL 17 -10.009 -1.206 2.812 59 HG13 VAL 17 HG13 VAL 17 -11.488 -2.019 3.328 60 HG21 VAL 17 HG21 VAL 17 -10.152 -4.098 4.187 61 HG22 VAL 17 HG22 VAL 17 -8.770 -3.059 3.852 62 HG23 VAL 17 HG23 VAL 17 -8.851 -4.674 3.140 63 H ALA 18 HN ALA 18 -11.614 -3.951 -0.669 64 HA ALA 18 HA ALA 18 -9.986 -6.268 -1.436 65 HB1 ALA 18 HB1 ALA 18 -11.210 -6.256 -3.545 66 HB2 ALA 18 HB2 ALA 18 -12.109 -4.831 -3.030 67 HB3 ALA 18 HB3 ALA 18 -12.321 -6.362 -2.181 68 H LEU 19 HN LEU 19 -10.264 -2.856 -1.520 69 HA LEU 19 HA LEU 19 -8.794 -1.229 -2.121 70 HB2 LEU 19 HB2 LEU 19 -7.342 -2.810 -0.946 71 HB3 LEU 19 HB1 LEU 19 -6.991 -3.585 -2.433 72 HG LEU 19 HG LEU 19 -5.244 -2.120 -1.442 73 HD11 LEU 19 HD11 LEU 19 -6.159 -2.225 -4.162 74 HD12 LEU 19 HD12 LEU 19 -4.547 -2.452 -3.478 75 HD13 LEU 19 HD13 LEU 19 -5.163 -0.821 -3.794 76 HD21 LEU 19 HD21 LEU 19 -7.043 0.075 -2.379 77 HD22 LEU 19 HD22 LEU 19 -5.382 0.250 -1.802 78 HD23 LEU 19 HD23 LEU 19 -6.641 -0.305 -0.704 79 H THR 20 HN THR 20 -7.478 -0.437 -4.160 80 HA THR 20 HA THR 20 -8.878 -1.019 -6.494 81 HB THR 20 HB THR 20 -7.692 1.051 -6.415 82 HG1 THR 20 HG1 THR 20 -7.403 0.918 -8.492 83 HG21 THR 20 HG21 THR 20 -5.833 0.546 -5.005 84 HG22 THR 20 HG22 THR 20 -5.190 1.108 -6.548 85 HG23 THR 20 HG23 THR 20 -5.197 -0.615 -6.168 86 H ASP 21 HN ASP 21 -7.752 -1.887 -8.549 87 HA ASP 21 HA ASP 21 -7.673 -4.647 -8.036 88 HB2 ASP 21 HB2 ASP 21 -6.935 -3.135 -10.544 89 HB3 ASP 21 HB1 ASP 21 -7.190 -4.874 -10.456 90 H ASP 22 HN ASP 22 -5.079 -2.454 -9.080 91 HA ASP 22 HA ASP 22 -3.149 -4.525 -9.324 92 HB2 ASP 22 HB2 ASP 22 -2.795 -1.536 -9.056 93 HB3 ASP 22 HB1 ASP 22 -1.511 -2.661 -9.479 94 H GLU 23 HN GLU 23 -3.226 -1.824 -7.084 95 HA GLU 23 HA GLU 23 -1.133 -2.403 -5.504 96 HB2 GLU 23 HB2 GLU 23 -3.696 -1.267 -4.470 97 HB3 GLU 23 HB1 GLU 23 -2.101 -1.106 -3.747 98 HG2 GLU 23 HG2 GLU 23 -2.887 -0.063 -6.448 99 HG3 GLU 23 HG1 GLU 23 -2.678 0.871 -4.977 100 H TYR 24 HN TYR 24 -4.334 -3.896 -5.076 101 HA TYR 24 HA TYR 24 -3.763 -5.056 -2.556 102 HB2 TYR 24 HB2 TYR 24 -6.037 -4.765 -3.554 103 HB3 TYR 24 HB1 TYR 24 -5.667 -6.055 -4.692 104 HD1 TYR 24 HD2 TYR 24 -5.326 -8.381 -3.846 105 HD2 TYR 24 HD1 TYR 24 -6.806 -5.275 -1.303 106 HE1 TYR 24 HE2 TYR 24 -6.177 -10.069 -2.278 107 HE2 TYR 24 HE1 TYR 24 -7.666 -6.971 0.245 108 HH TYR 24 HH TYR 24 -6.863 -10.320 -0.019 109 H ASP 25 HN ASP 25 -3.840 -6.538 -5.773 110 HA ASP 25 HA ASP 25 -2.406 -8.856 -5.272 111 HB2 ASP 25 HB2 ASP 25 -2.631 -7.103 -7.693 112 HB3 ASP 25 HB1 ASP 25 -1.509 -8.459 -7.706 113 H GLU 26 HN GLU 26 -1.156 -5.626 -5.949 114 HA GLU 26 HA GLU 26 1.581 -6.388 -5.974 115 HB2 GLU 26 HB2 GLU 26 0.315 -3.684 -5.541 116 HB3 GLU 26 HB1 GLU 26 2.019 -3.961 -5.845 117 HG2 GLU 26 HG2 GLU 26 -0.227 -4.616 -7.740 118 HG3 GLU 26 HG1 GLU 26 0.831 -3.211 -7.843 119 H TRP 27 HN TRP 27 -0.654 -5.727 -3.432 120 HA TRP 27 HA TRP 27 1.186 -5.131 -1.366 121 HB2 TRP 27 HB2 TRP 27 -0.916 -4.688 -0.609 122 HB3 TRP 27 HB1 TRP 27 -1.641 -5.985 -1.548 123 HD1 TRP 27 HD1 TRP 27 0.370 -5.556 1.779 124 HE1 TRP 27 HE1 TRP 27 -0.420 -7.395 3.387 125 HE3 TRP 27 HE3 TRP 27 -2.755 -8.132 -1.361 126 HZ2 TRP 27 HZ2 TRP 27 -2.140 -9.594 3.345 127 HZ3 TRP 27 HZ3 TRP 27 -3.932 -10.105 -0.482 128 HH2 TRP 27 HH2 TRP 27 -3.621 -10.830 1.827 129 H ARG 28 HN ARG 28 -0.061 -8.102 -2.728 130 HA ARG 28 HA ARG 28 1.144 -9.886 -0.915 131 HB2 ARG 28 HB2 ARG 28 0.648 -10.368 -3.866 132 HB3 ARG 28 HB1 ARG 28 0.777 -11.583 -2.599 133 HG2 ARG 28 HG2 ARG 28 -1.259 -10.459 -1.546 134 HG3 ARG 28 HG1 ARG 28 -1.432 -9.615 -3.082 135 HD2 ARG 28 HD2 ARG 28 -1.354 -12.611 -2.767 136 HD3 ARG 28 HD1 ARG 28 -2.826 -11.652 -2.919 137 HE ARG 28 HE ARG 28 -1.253 -11.020 -5.106 138 HH11 ARG 28 HH11 ARG 28 -2.726 -13.908 -3.786 139 HH12 ARG 28 HH12 ARG 28 -2.996 -14.631 -5.338 140 HH21 ARG 28 HH21 ARG 28 -1.614 -11.961 -7.152 141 HH22 ARG 28 HH22 ARG 28 -2.355 -13.528 -7.257 142 H GLU 29 HN GLU 29 2.322 -8.163 -3.737 143 HA GLU 29 HA GLU 29 4.939 -9.338 -3.722 144 HB2 GLU 29 HB2 GLU 29 3.995 -8.241 -5.719 145 HB3 GLU 29 HB1 GLU 29 4.015 -6.699 -4.876 146 HG2 GLU 29 HG2 GLU 29 6.405 -6.688 -4.809 147 HG3 GLU 29 HG1 GLU 29 6.476 -8.336 -5.441 148 H HIS 30 HN HIS 30 3.565 -6.328 -2.448 149 HA HIS 30 HA HIS 30 5.750 -5.216 -1.190 150 HB2 HIS 30 HB2 HIS 30 3.591 -4.097 -1.171 151 HB3 HIS 30 HB1 HIS 30 2.891 -5.380 -0.193 152 HD1 HIS 30 HD1 HIS 30 2.257 -4.018 1.839 153 HD2 HIS 30 HD2 HIS 30 6.232 -3.506 0.762 154 HE1 HIS 30 HE1 HIS 30 3.280 -2.637 3.689 155 HE2 HIS 30 HE2 HIS 30 5.647 -2.220 2.927 156 H ASN 31 HN ASN 31 3.649 -7.790 0.006 157 HA ASN 31 HA ASN 31 4.799 -8.257 2.478 158 HB2 ASN 31 HB2 ASN 31 2.729 -9.337 1.479 159 HB3 ASN 31 HB1 ASN 31 3.812 -10.423 0.615 160 HD21 ASN 31 HD21 ASN 31 4.997 -11.957 1.784 161 HD22 ASN 31 HD22 ASN 31 4.566 -12.396 3.398 162 H ALA 32 HN ALA 32 5.633 -9.619 -0.653 163 HA ALA 32 HA ALA 32 7.798 -11.207 0.183 164 HB1 ALA 32 HB1 ALA 32 7.343 -9.979 -2.524 165 HB2 ALA 32 HB2 ALA 32 6.598 -11.474 -1.947 166 HB3 ALA 32 HB3 ALA 32 8.347 -11.381 -2.147 167 H SER 33 HN SER 33 7.825 -8.079 -1.533 168 HA SER 33 HA SER 33 10.606 -7.868 -1.597 169 HB2 SER 33 HB2 SER 33 9.153 -6.620 -3.111 170 HB3 SER 33 HB1 SER 33 8.554 -5.647 -1.776 171 HG SER 33 HG SER 33 11.312 -5.721 -2.044 172 H ARG 34 HN ARG 34 8.326 -6.492 0.782 173 HA ARG 34 HA ARG 34 10.525 -5.175 2.131 174 HB2 ARG 34 HB2 ARG 34 7.577 -5.210 2.600 175 HB3 ARG 34 HB1 ARG 34 8.687 -4.525 3.780 176 HG2 ARG 34 HG2 ARG 34 8.364 -3.646 0.914 177 HG3 ARG 34 HG1 ARG 34 7.806 -2.784 2.349 178 HD2 ARG 34 HD2 ARG 34 10.659 -3.340 1.546 179 HD3 ARG 34 HD1 ARG 34 9.844 -1.780 1.565 180 HE ARG 34 HE ARG 34 9.625 -2.332 4.095 181 HH11 ARG 34 HH11 ARG 34 12.368 -3.051 2.046 182 HH12 ARG 34 HH12 ARG 34 13.520 -2.921 3.333 183 HH21 ARG 34 HH21 ARG 34 11.145 -2.160 5.791 184 HH22 ARG 34 HH22 ARG 34 12.828 -2.427 5.461 185 H LYS 35 HN LYS 35 9.530 -8.246 2.059 186 HA LYS 35 HA LYS 35 10.169 -10.056 3.238 187 HB2 LYS 35 HB2 LYS 35 11.946 -8.132 4.703 188 HB3 LYS 35 HB1 LYS 35 12.115 -9.881 4.681 189 HG2 LYS 35 HG2 LYS 35 12.211 -8.181 2.221 190 HG3 LYS 35 HG1 LYS 35 13.646 -8.631 3.142 191 HD2 LYS 35 HD2 LYS 35 13.228 -10.967 2.710 192 HD3 LYS 35 HD1 LYS 35 11.694 -10.583 1.928 193 HE2 LYS 35 HE2 LYS 35 13.446 -11.044 0.285 194 HE3 LYS 35 HE1 LYS 35 12.873 -9.381 0.169 195 HZ1 LYS 35 HZ1 LYS 35 15.354 -10.259 1.543 196 HZ2 LYS 35 HZ2 LYS 35 14.811 -8.663 1.405 197 HZ3 LYS 35 HZ3 LYS 35 15.279 -9.517 0.025 198 H LEU 36 HN LEU 36 7.965 -8.338 4.175 199 HA LEU 36 HA LEU 36 7.903 -9.081 6.999 200 HB2 LEU 36 HB2 LEU 36 5.777 -7.448 6.759 201 HB3 LEU 36 HB1 LEU 36 7.398 -6.864 7.114 202 HG LEU 36 HG LEU 36 7.711 -6.391 4.697 203 HD11 LEU 36 HD11 LEU 36 6.235 -7.938 3.695 204 HD12 LEU 36 HD12 LEU 36 5.625 -6.325 3.316 205 HD13 LEU 36 HD13 LEU 36 4.854 -7.293 4.578 206 HD21 LEU 36 HD21 LEU 36 6.901 -4.684 6.303 207 HD22 LEU 36 HD22 LEU 36 5.245 -5.079 5.822 208 HD23 LEU 36 HD23 LEU 36 6.387 -4.416 4.638 209 H ASP 37 HN ASP 37 5.276 -9.092 7.454 210 HA ASP 37 HA ASP 37 3.978 -10.888 5.567 211 HB2 ASP 37 HB2 ASP 37 5.199 -12.336 7.212 212 HB3 ASP 37 HB1 ASP 37 4.294 -11.567 8.510 213 H LEU 38 HN LEU 38 3.014 -8.750 5.364 214 HA LEU 38 HA LEU 38 1.471 -7.819 7.664 215 HB2 LEU 38 HB2 LEU 38 1.712 -5.697 6.838 216 HB3 LEU 38 HB1 LEU 38 3.151 -6.426 6.182 217 HG LEU 38 HG LEU 38 0.618 -6.311 4.620 218 HD11 LEU 38 HD11 LEU 38 0.983 -4.062 5.330 219 HD12 LEU 38 HD12 LEU 38 1.503 -4.202 3.650 220 HD13 LEU 38 HD13 LEU 38 2.701 -4.175 4.946 221 HD21 LEU 38 HD21 LEU 38 2.048 -6.554 2.743 222 HD22 LEU 38 HD22 LEU 38 2.615 -7.722 3.944 223 HD23 LEU 38 HD23 LEU 38 3.481 -6.205 3.708 224 H SER 39 HN SER 39 -0.717 -7.280 7.467 225 HA SER 39 HA SER 39 -2.138 -8.818 5.475 226 HB2 SER 39 HB2 SER 39 -3.248 -7.049 7.649 227 HB3 SER 39 HB1 SER 39 -4.133 -8.259 6.730 228 HG SER 39 HG SER 39 -1.846 -9.074 8.116 229 H VAL 40 HN VAL 40 -4.103 -7.660 4.413 230 HA VAL 40 HA VAL 40 -2.910 -5.759 2.710 231 HB VAL 40 HB VAL 40 -4.999 -7.437 2.432 232 HG11 VAL 40 HG11 VAL 40 -7.044 -6.125 2.023 233 HG12 VAL 40 HG12 VAL 40 -6.269 -4.723 2.763 234 HG13 VAL 40 HG13 VAL 40 -6.591 -6.164 3.727 235 HG21 VAL 40 HG21 VAL 40 -3.654 -6.493 0.708 236 HG22 VAL 40 HG22 VAL 40 -4.482 -4.936 0.878 237 HG23 VAL 40 HG23 VAL 40 -5.365 -6.348 0.297 238 H GLU 41 HN GLU 41 -5.274 -5.491 5.273 239 HA GLU 41 HA GLU 41 -6.070 -2.895 5.129 240 HB2 GLU 41 HB2 GLU 41 -5.208 -4.319 7.663 241 HB3 GLU 41 HB1 GLU 41 -6.296 -2.942 7.572 242 HG2 GLU 41 HG2 GLU 41 -7.966 -4.236 6.474 243 HG3 GLU 41 HG1 GLU 41 -6.860 -5.597 6.287 244 H ASP 42 HN ASP 42 -3.174 -4.000 6.908 245 HA ASP 42 HA ASP 42 -2.071 -1.579 7.546 246 HB2 ASP 42 HB2 ASP 42 -0.615 -4.100 6.720 247 HB3 ASP 42 HB1 ASP 42 0.094 -2.760 7.607 248 H PHE 43 HN PHE 43 -1.616 -3.433 4.545 249 HA PHE 43 HA PHE 43 0.205 -1.712 3.291 250 HB2 PHE 43 HB2 PHE 43 -0.186 -3.873 2.328 251 HB3 PHE 43 HB1 PHE 43 -1.900 -3.536 2.130 252 HD1 PHE 43 HD2 PHE 43 -2.622 -1.819 0.403 253 HD2 PHE 43 HD1 PHE 43 1.374 -3.274 0.641 254 HE1 PHE 43 HE2 PHE 43 -2.221 -1.038 -1.865 255 HE2 PHE 43 HE1 PHE 43 1.783 -2.482 -1.654 256 HZ PHE 43 HZ PHE 43 -0.023 -1.360 -2.907 257 H LEU 44 HN LEU 44 -3.285 -1.940 3.000 258 HA LEU 44 HA LEU 44 -3.749 0.158 1.264 259 HB2 LEU 44 HB2 LEU 44 -5.621 -0.497 3.552 260 HB3 LEU 44 HB1 LEU 44 -6.051 0.045 1.944 261 HG LEU 44 HG LEU 44 -5.379 -2.677 2.907 262 HD11 LEU 44 HD11 LEU 44 -7.160 -3.251 1.272 263 HD12 LEU 44 HD12 LEU 44 -7.364 -1.516 0.982 264 HD13 LEU 44 HD13 LEU 44 -7.669 -2.180 2.585 265 HD21 LEU 44 HD21 LEU 44 -3.811 -2.828 1.312 266 HD22 LEU 44 HD22 LEU 44 -4.540 -1.581 0.298 267 HD23 LEU 44 HD23 LEU 44 -5.233 -3.204 0.340 268 H MET 45 HN MET 45 -3.294 0.219 4.759 269 HA MET 45 HA MET 45 -3.835 2.974 5.151 270 HB2 MET 45 HB2 MET 45 -1.832 1.276 6.651 271 HB3 MET 45 HB1 MET 45 -2.523 2.796 7.197 272 HG2 MET 45 HG2 MET 45 -4.730 1.752 7.268 273 HG3 MET 45 HG1 MET 45 -4.009 0.228 6.751 274 HE1 MET 45 HE1 MET 45 -2.807 2.990 9.350 275 HE2 MET 45 HE2 MET 45 -3.386 2.251 10.843 276 HE3 MET 45 HE3 MET 45 -4.536 2.774 9.614 277 H LEU 46 HN LEU 46 -0.714 1.311 4.879 278 HA LEU 46 HA LEU 46 1.010 3.409 4.746 279 HB2 LEU 46 HB2 LEU 46 1.187 0.962 2.991 280 HB3 LEU 46 HB1 LEU 46 2.517 2.012 3.441 281 HG LEU 46 HG LEU 46 1.008 0.092 5.199 282 HD11 LEU 46 HD11 LEU 46 3.950 0.333 4.669 283 HD12 LEU 46 HD12 LEU 46 2.872 -0.727 3.763 284 HD13 LEU 46 HD13 LEU 46 3.098 -0.974 5.495 285 HD21 LEU 46 HD21 LEU 46 2.146 0.931 7.092 286 HD22 LEU 46 HD22 LEU 46 1.413 2.334 6.298 287 HD23 LEU 46 HD23 LEU 46 3.140 2.004 6.107 288 H ARG 47 HN ARG 47 -0.654 1.987 1.943 289 HA ARG 47 HA ARG 47 0.408 3.932 0.157 290 HB2 ARG 47 HB2 ARG 47 -1.368 3.070 -1.414 291 HB3 ARG 47 HB1 ARG 47 -0.170 1.917 -0.865 292 HG2 ARG 47 HG2 ARG 47 -1.720 0.644 0.127 293 HG3 ARG 47 HG1 ARG 47 -2.619 2.036 0.737 294 HD2 ARG 47 HD2 ARG 47 -3.560 0.466 -1.189 295 HD3 ARG 47 HD1 ARG 47 -3.914 2.199 -1.111 296 HE ARG 47 HE ARG 47 -1.865 0.941 -2.832 297 HH11 ARG 47 HH11 ARG 47 -4.191 3.508 -2.242 298 HH12 ARG 47 HH12 ARG 47 -3.677 4.448 -3.596 299 HH21 ARG 47 HH21 ARG 47 -1.173 2.174 -4.590 300 HH22 ARG 47 HH22 ARG 47 -1.940 3.695 -4.939 301 H HIS 48 HN HIS 48 -2.773 3.510 1.632 302 HA HIS 48 HA HIS 48 -4.161 5.660 0.768 303 HB2 HIS 48 HB2 HIS 48 -4.062 4.156 3.254 304 HB3 HIS 48 HB1 HIS 48 -4.608 5.813 3.501 305 HD1 HIS 48 HD1 HIS 48 -6.865 4.534 4.203 306 HD2 HIS 48 HD2 HIS 48 -5.852 4.401 0.173 307 HE1 HIS 48 HE1 HIS 48 -8.936 3.756 3.020 308 HE2 HIS 48 HE2 HIS 48 -8.232 3.452 0.626 309 H ARG 49 HN ARG 49 -1.895 5.836 3.542 310 HA ARG 49 HA ARG 49 -2.220 8.607 3.903 311 HB2 ARG 49 HB2 ARG 49 0.225 7.005 4.569 312 HB3 ARG 49 HB1 ARG 49 -0.300 8.514 5.313 313 HG2 ARG 49 HG2 ARG 49 -2.397 7.245 5.998 314 HG3 ARG 49 HG1 ARG 49 -1.504 5.781 5.567 315 HD2 ARG 49 HD2 ARG 49 0.325 7.079 7.025 316 HD3 ARG 49 HD1 ARG 49 -1.146 7.633 7.812 317 HE ARG 49 HE ARG 49 -0.675 4.759 7.414 318 HH11 ARG 49 HH11 ARG 49 -1.220 7.487 9.544 319 HH12 ARG 49 HH12 ARG 49 -1.320 6.513 10.974 320 HH21 ARG 49 HH21 ARG 49 -0.802 3.480 9.305 321 HH22 ARG 49 HH22 ARG 49 -1.089 4.238 10.836 322 H ALA 50 HN ALA 50 0.281 6.797 2.245 323 HA ALA 50 HA ALA 50 1.858 8.905 1.336 324 HB1 ALA 50 HB1 ALA 50 2.535 6.547 1.226 325 HB2 ALA 50 HB2 ALA 50 2.747 7.369 -0.321 326 HB3 ALA 50 HB3 ALA 50 1.375 6.285 -0.077 327 H ALA 51 HN ALA 51 -0.610 7.153 -0.535 328 HA ALA 51 HA ALA 51 -0.721 8.805 -2.740 329 HB1 ALA 51 HB1 ALA 51 -2.907 7.797 -3.157 330 HB2 ALA 51 HB2 ALA 51 -2.937 7.177 -1.507 331 HB3 ALA 51 HB3 ALA 51 -1.724 6.591 -2.647 332 H LEU 52 HN LEU 52 -2.675 8.983 0.251 333 HA LEU 52 HA LEU 52 -4.310 11.054 -0.917 334 HB2 LEU 52 HB2 LEU 52 -4.320 10.290 1.992 335 HB3 LEU 52 HB1 LEU 52 -5.622 10.976 1.035 336 HG LEU 52 HG LEU 52 -4.538 8.177 0.764 337 HD11 LEU 52 HD11 LEU 52 -5.797 8.486 2.809 338 HD12 LEU 52 HD12 LEU 52 -6.689 7.486 1.662 339 HD13 LEU 52 HD13 LEU 52 -7.138 9.176 1.896 340 HD21 LEU 52 HD21 LEU 52 -5.298 9.004 -1.363 341 HD22 LEU 52 HD22 LEU 52 -6.810 9.553 -0.638 342 HD23 LEU 52 HD23 LEU 52 -6.448 7.821 -0.727 343 H GLY 53 HN GLY 53 -2.624 11.153 2.248 344 HA2 GLY 53 HA2 GLY 53 -0.762 13.091 1.653 345 HA3 GLY 53 HA1 GLY 53 -2.232 13.974 2.024 346 H ALA 54 HN ALA 54 -0.999 10.980 3.511 347 HA ALA 54 HA ALA 54 -0.627 12.474 6.014 348 HB1 ALA 54 HB1 ALA 54 -1.244 10.344 7.175 349 HB2 ALA 54 HB2 ALA 54 -1.755 9.714 5.610 350 HB3 ALA 54 HB3 ALA 54 -2.565 11.116 6.302 351 H ASP 55 HN ASP 55 1.212 11.964 7.209 352 HA ASP 55 HA ASP 55 3.188 10.445 5.638 353 HB2 ASP 55 HB2 ASP 55 3.670 12.952 7.254 354 HB3 ASP 55 HB1 ASP 55 4.881 12.070 6.329 355 H ASP 56 HN ASP 56 1.760 9.188 7.695 356 HA ASP 56 HA ASP 56 3.377 8.897 10.008 357 HB2 ASP 56 HB2 ASP 56 1.113 8.024 9.987 358 HB3 ASP 56 HB1 ASP 56 1.507 6.950 8.654 359 H ASN 57 HN ASN 57 5.290 7.867 10.280 360 HA ASN 57 HA ASN 57 6.992 7.511 8.258 361 HB2 ASN 57 HB2 ASN 57 8.432 6.231 9.710 362 HB3 ASN 57 HB1 ASN 57 7.754 7.628 10.530 363 HD21 ASN 57 HD21 ASN 57 8.054 4.218 10.479 364 HD22 ASN 57 HD22 ASN 57 7.131 3.890 11.901 365 H ASP 58 HN ASP 58 4.925 4.846 9.427 366 HA ASP 58 HA ASP 58 6.315 2.808 8.005 367 HB2 ASP 58 HB2 ASP 58 3.464 3.015 8.969 368 HB3 ASP 58 HB1 ASP 58 4.053 1.609 8.095 369 H ALA 59 HN ALA 59 3.649 4.853 7.296 370 HA ALA 59 HA ALA 59 3.151 4.013 4.653 371 HB1 ALA 59 HB1 ALA 59 2.617 6.702 5.881 372 HB2 ALA 59 HB2 ALA 59 1.538 5.298 5.917 373 HB3 ALA 59 HB3 ALA 59 1.923 6.086 4.382 374 H VAL 60 HN VAL 60 5.443 6.376 5.968 375 HA VAL 60 HA VAL 60 5.940 7.495 3.371 376 HB VAL 60 HB VAL 60 7.524 8.924 4.313 377 HG11 VAL 60 HG11 VAL 60 5.498 8.362 6.459 378 HG12 VAL 60 HG12 VAL 60 5.302 9.441 5.077 379 HG13 VAL 60 HG13 VAL 60 6.473 9.827 6.338 380 HG21 VAL 60 HG21 VAL 60 7.810 6.995 6.593 381 HG22 VAL 60 HG22 VAL 60 8.507 8.615 6.574 382 HG23 VAL 60 HG23 VAL 60 9.014 7.422 5.376 383 H LYS 61 HN LYS 61 7.557 5.171 5.501 384 HA LYS 61 HA LYS 61 9.753 4.687 3.782 385 HB2 LYS 61 HB2 LYS 61 8.440 2.955 5.876 386 HB3 LYS 61 HB1 LYS 61 10.017 2.646 5.155 387 HG2 LYS 61 HG2 LYS 61 11.016 4.412 6.246 388 HG3 LYS 61 HG1 LYS 61 9.488 5.279 6.455 389 HD2 LYS 61 HD2 LYS 61 10.562 4.187 8.525 390 HD3 LYS 61 HD1 LYS 61 8.838 3.935 8.249 391 HE2 LYS 61 HE2 LYS 61 9.748 1.832 8.844 392 HE3 LYS 61 HE1 LYS 61 9.432 1.794 7.112 393 HZ1 LYS 61 HZ1 LYS 61 11.574 0.815 7.625 394 HZ2 LYS 61 HZ2 LYS 61 12.079 2.235 8.385 395 HZ3 LYS 61 HZ3 LYS 61 11.790 2.228 6.723 396 H PHE 62 HN PHE 62 6.493 3.419 3.975 397 HA PHE 62 HA PHE 62 6.711 1.384 2.041 398 HB2 PHE 62 HB2 PHE 62 4.704 1.598 3.401 399 HB3 PHE 62 HB1 PHE 62 4.393 3.201 2.750 400 HD1 PHE 62 HD2 PHE 62 4.355 -0.407 2.005 401 HD2 PHE 62 HD1 PHE 62 3.384 3.495 0.623 402 HE1 PHE 62 HE2 PHE 62 2.985 -1.388 0.219 403 HE2 PHE 62 HE1 PHE 62 2.007 2.521 -1.165 404 HZ PHE 62 HZ PHE 62 1.821 0.039 -1.358 405 H ARG 63 HN ARG 63 5.632 4.748 1.784 406 HA ARG 63 HA ARG 63 5.421 5.089 -0.898 407 HB2 ARG 63 HB2 ARG 63 4.836 6.837 0.591 408 HB3 ARG 63 HB1 ARG 63 6.432 6.884 1.298 409 HG2 ARG 63 HG2 ARG 63 6.036 7.629 -1.568 410 HG3 ARG 63 HG1 ARG 63 5.670 8.779 -0.280 411 HD2 ARG 63 HD2 ARG 63 8.024 8.246 0.597 412 HD3 ARG 63 HD1 ARG 63 8.297 7.502 -0.975 413 HE ARG 63 HE ARG 63 7.302 10.053 -1.428 414 HH11 ARG 63 HH11 ARG 63 10.144 8.563 -0.018 415 HH12 ARG 63 HH12 ARG 63 11.202 9.861 -0.463 416 HH21 ARG 63 HH21 ARG 63 8.703 11.762 -2.033 417 HH22 ARG 63 HH22 ARG 63 10.382 11.679 -1.613 418 H SER 64 HN SER 64 8.386 5.890 0.897 419 HA SER 64 HA SER 64 10.066 6.344 -1.149 420 HB2 SER 64 HB2 SER 64 10.740 4.889 1.407 421 HB3 SER 64 HB1 SER 64 11.920 5.651 0.336 422 HG SER 64 HG SER 64 11.099 6.932 2.190 423 H TRP 65 HN TRP 65 9.588 3.081 0.229 424 HA TRP 65 HA TRP 65 11.273 1.783 -1.619 425 HB2 TRP 65 HB2 TRP 65 10.919 0.558 0.304 426 HB3 TRP 65 HB1 TRP 65 9.199 0.916 0.338 427 HD1 TRP 65 HD1 TRP 65 11.699 -1.489 -1.334 428 HE1 TRP 65 HE1 TRP 65 10.372 -3.535 -2.196 429 HE3 TRP 65 HE3 TRP 65 7.041 0.200 -0.402 430 HZ2 TRP 65 HZ2 TRP 65 7.644 -4.281 -2.468 431 HZ3 TRP 65 HZ3 TRP 65 5.107 -1.212 -0.974 432 HH2 TRP 65 HH2 TRP 65 5.407 -3.414 -1.979 433 H TRP 66 HN TRP 66 7.757 2.137 -1.547 434 HA TRP 66 HA TRP 66 7.327 0.525 -3.864 435 HB2 TRP 66 HB2 TRP 66 5.755 0.975 -1.888 436 HB3 TRP 66 HB1 TRP 66 5.397 2.512 -2.655 437 HD1 TRP 66 HD1 TRP 66 3.055 2.282 -3.548 438 HE1 TRP 66 HE1 TRP 66 1.733 0.600 -4.955 439 HE3 TRP 66 HE3 TRP 66 6.583 -1.383 -3.896 440 HZ2 TRP 66 HZ2 TRP 66 2.147 -1.905 -6.077 441 HZ3 TRP 66 HZ3 TRP 66 6.038 -3.412 -5.167 442 HH2 TRP 66 HH2 TRP 66 3.858 -3.676 -6.236 443 H ASN 67 HN ASN 67 8.053 3.879 -3.401 444 HA ASN 67 HA ASN 67 6.946 4.614 -6.001 445 HB2 ASN 67 HB2 ASN 67 7.941 6.144 -3.660 446 HB3 ASN 67 HB1 ASN 67 7.960 6.912 -5.245 447 HD21 ASN 67 HD21 ASN 67 5.990 5.576 -2.737 448 HD22 ASN 67 HD22 ASN 67 4.500 6.251 -3.281 449 H SER 68 HN SER 68 9.758 3.301 -4.975 450 HA SER 68 HA SER 68 11.395 4.811 -6.871 451 HB2 SER 68 HB2 SER 68 12.196 2.541 -5.019 452 HB3 SER 68 HB1 SER 68 13.291 3.516 -6.000 453 HG SER 68 HG SER 68 11.816 4.249 -3.706 454 H ARG 69 HN ARG 69 9.364 2.214 -6.635 455 HA ARG 69 HA ARG 69 10.678 0.696 -8.766 456 HB2 ARG 69 HB2 ARG 69 9.355 -1.250 -7.785 457 HB3 ARG 69 HB1 ARG 69 10.782 -0.701 -6.943 458 HG2 ARG 69 HG2 ARG 69 9.311 0.586 -5.418 459 HG3 ARG 69 HG1 ARG 69 7.926 -0.176 -6.213 460 HD2 ARG 69 HD2 ARG 69 10.152 -1.516 -4.706 461 HD3 ARG 69 HD1 ARG 69 8.443 -1.459 -4.270 462 HE ARG 69 HE ARG 69 8.253 -2.660 -6.591 463 HH11 ARG 69 HH11 ARG 69 10.850 -3.099 -4.311 464 HH12 ARG 69 HH12 ARG 69 10.948 -4.816 -4.535 465 HH21 ARG 69 HH21 ARG 69 8.333 -4.948 -6.875 466 HH22 ARG 69 HH22 ARG 69 9.515 -5.870 -5.997 467 H THR 70 HN THR 70 7.544 1.215 -7.289 468 HA THR 70 HA THR 70 6.219 0.688 -9.858 469 HB THR 70 HB THR 70 5.002 0.849 -7.117 470 HG1 THR 70 HG1 THR 70 5.282 -1.687 -7.998 471 HG21 THR 70 HG21 THR 70 4.087 -0.419 -9.692 472 HG22 THR 70 HG22 THR 70 3.393 0.986 -8.886 473 HG23 THR 70 HG23 THR 70 3.278 -0.608 -8.138 474 H LYS 71 HN LYS 71 5.771 2.673 -6.983 475 HA LYS 71 HA LYS 71 4.990 4.766 -6.621 476 HB2 LYS 71 HB2 LYS 71 4.979 5.156 -9.589 477 HB3 LYS 71 HB1 LYS 71 4.863 6.387 -8.350 478 HG2 LYS 71 HG2 LYS 71 7.102 5.744 -7.542 479 HG3 LYS 71 HG1 LYS 71 7.229 4.629 -8.897 480 HD2 LYS 71 HD2 LYS 71 8.424 6.671 -9.373 481 HD3 LYS 71 HD1 LYS 71 7.025 6.530 -10.445 482 HE2 LYS 71 HE2 LYS 71 5.794 8.129 -9.172 483 HE3 LYS 71 HE1 LYS 71 7.000 8.120 -7.885 484 HZ1 LYS 71 HZ1 LYS 71 8.573 9.152 -9.352 485 HZ2 LYS 71 HZ2 LYS 71 7.157 10.075 -9.343 486 HZ3 LYS 71 HZ3 LYS 71 7.498 9.066 -10.654 487 H MET 72 HN MET 72 3.556 2.325 -7.303 488 HA MET 72 HA MET 72 1.472 1.519 -7.236 489 HB2 MET 72 HB2 MET 72 -0.066 3.595 -6.180 490 HB3 MET 72 HB1 MET 72 0.668 2.253 -5.325 491 HG2 MET 72 HG2 MET 72 2.516 3.516 -4.748 492 HG3 MET 72 HG1 MET 72 2.124 4.820 -5.856 493 HE1 MET 72 HE1 MET 72 2.884 5.428 -2.835 494 HE2 MET 72 HE2 MET 72 1.630 6.594 -2.417 495 HE3 MET 72 HE3 MET 72 2.391 6.652 -4.007 496 H ALA 73 HN ALA 73 -0.863 2.462 -7.156 497 HA ALA 73 HA ALA 73 -1.572 4.086 -9.430 498 HB1 ALA 73 HB1 ALA 73 -1.684 1.803 -10.298 499 HB2 ALA 73 HB2 ALA 73 -3.299 2.488 -10.130 500 HB3 ALA 73 HB3 ALA 73 -2.702 1.337 -8.934 501 H ASN 74 HN ASN 74 -1.733 5.458 -7.606 502 HA ASN 74 HA ASN 74 -2.792 5.066 -5.159 503 HB2 ASN 74 HB2 ASN 74 -3.018 7.575 -6.830 504 HB3 ASN 74 HB1 ASN 74 -3.250 7.507 -5.088 505 HD21 ASN 74 HD21 ASN 74 -1.550 8.886 -4.658 506 HD22 ASN 74 HD22 ASN 74 0.100 8.410 -4.845 507 H ASP 75 HN ASP 75 -4.530 3.599 -5.434 508 HA ASP 75 HA ASP 75 -6.674 2.961 -5.406 509 HB2 ASP 75 HB2 ASP 75 -6.863 5.824 -4.581 510 HB3 ASP 75 HB1 ASP 75 -8.339 4.905 -4.854 511 H TYR 76 HN TYR 76 -5.443 3.940 -7.986 512 HA TYR 76 HA TYR 76 -7.885 4.659 -9.426 513 HB2 TYR 76 HB2 TYR 76 -5.070 4.264 -10.421 514 HB3 TYR 76 HB1 TYR 76 -6.419 4.905 -11.356 515 HD1 TYR 76 HD1 TYR 76 -7.595 7.017 -10.181 516 HD2 TYR 76 HD2 TYR 76 -3.589 5.758 -9.538 517 HE1 TYR 76 HE1 TYR 76 -7.011 9.276 -9.441 518 HE2 TYR 76 HE2 TYR 76 -2.988 8.014 -8.802 519 HH TYR 76 HH TYR 76 -3.821 10.341 -9.104 Start of MODEL 2 1 H1 GLY 10 HT1 GLY 10 -10.548 8.364 -3.349 2 H2 GLY 10 HT2 GLY 10 -11.776 7.227 -3.575 3 H3 GLY 10 HT3 GLY 10 -10.202 6.872 -4.075 4 HA2 GLY 10 HA1 GLY 10 -9.452 6.941 -1.764 5 HA3 GLY 10 HA2 GLY 10 -11.108 7.254 -1.275 6 H THR 11 HN THR 11 -10.025 5.143 -0.125 7 HA THR 11 HA THR 11 -11.646 3.015 -1.277 8 HB THR 11 HB THR 11 -9.191 2.016 -0.004 9 HG1 THR 11 HG1 THR 11 -9.134 3.481 -2.442 10 HG21 THR 11 HG21 THR 11 -9.307 0.459 -1.922 11 HG22 THR 11 HG22 THR 11 -10.681 1.368 -2.546 12 HG23 THR 11 HG23 THR 11 -10.811 0.523 -0.998 13 H TYR 12 HN TYR 12 -10.340 1.357 0.965 14 HA TYR 12 HA TYR 12 -11.619 2.580 3.282 15 HB2 TYR 12 HB2 TYR 12 -12.306 -0.234 2.598 16 HB3 TYR 12 HB1 TYR 12 -13.160 0.893 3.639 17 HD1 TYR 12 HD2 TYR 12 -14.649 2.534 2.726 18 HD2 TYR 12 HD1 TYR 12 -12.649 -0.227 0.215 19 HE1 TYR 12 HE2 TYR 12 -16.203 3.079 0.938 20 HE2 TYR 12 HE1 TYR 12 -14.200 0.308 -1.621 21 HH TYR 12 HH TYR 12 -16.366 2.985 -1.468 22 H ARG 13 HN ARG 13 -11.513 0.614 5.066 23 HA ARG 13 HA ARG 13 -9.397 -1.274 4.606 24 HB2 ARG 13 HB2 ARG 13 -8.044 0.578 5.390 25 HB3 ARG 13 HB1 ARG 13 -9.101 0.803 6.777 26 HG2 ARG 13 HG2 ARG 13 -8.452 -1.370 7.651 27 HG3 ARG 13 HG1 ARG 13 -7.410 -1.643 6.253 28 HD2 ARG 13 HD2 ARG 13 -6.115 -0.909 8.170 29 HD3 ARG 13 HD1 ARG 13 -6.065 0.284 6.878 30 HE ARG 13 HE ARG 13 -7.821 1.506 8.189 31 HH11 ARG 13 HH11 ARG 13 -5.599 -0.677 9.794 32 HH12 ARG 13 HH12 ARG 13 -5.661 0.169 11.304 33 HH21 ARG 13 HH21 ARG 13 -7.911 2.616 10.187 34 HH22 ARG 13 HH22 ARG 13 -6.966 2.047 11.527 35 H GLY 14 HN GLY 14 -9.671 -3.100 5.820 36 HA2 GLY 14 HA2 GLY 14 -10.438 -4.438 7.551 37 HA3 GLY 14 HA1 GLY 14 -11.225 -3.037 8.252 38 H ARG 15 HN ARG 15 -12.723 -2.410 5.818 39 HA ARG 15 HA ARG 15 -14.957 -4.086 6.425 40 HB2 ARG 15 HB2 ARG 15 -16.148 -2.604 4.743 41 HB3 ARG 15 HB1 ARG 15 -15.474 -1.797 6.147 42 HG2 ARG 15 HG2 ARG 15 -14.809 -0.362 4.528 43 HG3 ARG 15 HG1 ARG 15 -13.420 -1.444 4.541 44 HD2 ARG 15 HD2 ARG 15 -14.046 -1.013 2.265 45 HD3 ARG 15 HD1 ARG 15 -14.444 -2.698 2.658 46 HE ARG 15 HE ARG 15 -16.574 -0.710 2.920 47 HH11 ARG 15 HH11 ARG 15 -15.188 -3.346 1.065 48 HH12 ARG 15 HH12 ARG 15 -16.621 -3.594 0.123 49 HH21 ARG 15 HH21 ARG 15 -18.447 -1.042 1.673 50 HH22 ARG 15 HH22 ARG 15 -18.466 -2.290 0.465 51 H GLY 16 HN GLY 16 -13.189 -5.817 5.392 52 HA2 GLY 16 HA2 GLY 16 -13.053 -7.499 3.811 53 HA3 GLY 16 HA1 GLY 16 -14.595 -6.922 3.188 54 H VAL 17 HN VAL 17 -11.901 -4.810 3.477 55 HA VAL 17 HA VAL 17 -12.069 -3.742 0.969 56 HB VAL 17 HB VAL 17 -9.504 -3.202 1.292 57 HG11 VAL 17 HG11 VAL 17 -11.409 -1.690 1.399 58 HG12 VAL 17 HG12 VAL 17 -10.193 -1.323 2.632 59 HG13 VAL 17 HG13 VAL 17 -11.684 -2.156 3.082 60 HG21 VAL 17 HG21 VAL 17 -9.012 -3.166 3.759 61 HG22 VAL 17 HG22 VAL 17 -8.991 -4.764 3.012 62 HG23 VAL 17 HG23 VAL 17 -10.376 -4.261 3.984 63 H ALA 18 HN ALA 18 -11.553 -4.158 -0.931 64 HA ALA 18 HA ALA 18 -9.715 -6.383 -1.515 65 HB1 ALA 18 HB1 ALA 18 -11.962 -6.760 -2.394 66 HB2 ALA 18 HB2 ALA 18 -10.812 -6.527 -3.710 67 HB3 ALA 18 HB3 ALA 18 -11.899 -5.218 -3.248 68 H LEU 19 HN LEU 19 -10.096 -3.106 -1.413 69 HA LEU 19 HA LEU 19 -8.895 -1.324 -2.059 70 HB2 LEU 19 HB2 LEU 19 -7.104 -2.500 -1.038 71 HB3 LEU 19 HB1 LEU 19 -6.887 -3.521 -2.422 72 HG LEU 19 HG LEU 19 -6.094 -1.466 -3.650 73 HD11 LEU 19 HD11 LEU 19 -5.359 0.407 -2.265 74 HD12 LEU 19 HD12 LEU 19 -6.151 -0.330 -0.874 75 HD13 LEU 19 HD13 LEU 19 -7.113 0.215 -2.251 76 HD21 LEU 19 HD21 LEU 19 -3.916 -1.439 -2.478 77 HD22 LEU 19 HD22 LEU 19 -4.506 -3.038 -2.908 78 HD23 LEU 19 HD23 LEU 19 -4.630 -2.470 -1.247 79 H THR 20 HN THR 20 -7.451 -0.477 -4.036 80 HA THR 20 HA THR 20 -8.903 -0.867 -6.410 81 HB THR 20 HB THR 20 -7.862 1.212 -6.270 82 HG1 THR 20 HG1 THR 20 -5.838 0.365 -7.895 83 HG21 THR 20 HG21 THR 20 -6.253 0.777 -4.549 84 HG22 THR 20 HG22 THR 20 -5.426 1.510 -5.924 85 HG23 THR 20 HG23 THR 20 -5.302 -0.224 -5.644 86 H ASP 21 HN ASP 21 -7.511 -1.515 -8.546 87 HA ASP 21 HA ASP 21 -7.636 -4.310 -8.213 88 HB2 ASP 21 HB2 ASP 21 -8.322 -3.171 -10.270 89 HB3 ASP 21 HB1 ASP 21 -6.656 -2.696 -10.573 90 H ASP 22 HN ASP 22 -4.841 -2.291 -9.171 91 HA ASP 22 HA ASP 22 -3.164 -4.617 -9.296 92 HB2 ASP 22 HB2 ASP 22 -2.881 -2.676 -10.806 93 HB3 ASP 22 HB1 ASP 22 -2.403 -1.697 -9.426 94 H GLU 23 HN GLU 23 -3.305 -1.775 -7.256 95 HA GLU 23 HA GLU 23 -1.188 -2.100 -5.593 96 HB2 GLU 23 HB2 GLU 23 -3.952 -1.154 -4.801 97 HB3 GLU 23 HB1 GLU 23 -2.519 -0.988 -3.807 98 HG2 GLU 23 HG2 GLU 23 -3.155 1.067 -5.068 99 HG3 GLU 23 HG1 GLU 23 -1.495 0.531 -5.281 100 H TYR 24 HN TYR 24 -4.306 -3.780 -5.204 101 HA TYR 24 HA TYR 24 -3.690 -4.911 -2.680 102 HB2 TYR 24 HB2 TYR 24 -5.976 -4.665 -3.618 103 HB3 TYR 24 HB1 TYR 24 -5.606 -5.917 -4.798 104 HD1 TYR 24 HD2 TYR 24 -5.169 -8.259 -3.995 105 HD2 TYR 24 HD1 TYR 24 -6.758 -5.250 -1.387 106 HE1 TYR 24 HE2 TYR 24 -5.994 -10.004 -2.479 107 HE2 TYR 24 HE1 TYR 24 -7.581 -7.012 0.109 108 HH TYR 24 HH TYR 24 -8.195 -9.364 0.045 109 H ASP 25 HN ASP 25 -3.848 -6.509 -5.838 110 HA ASP 25 HA ASP 25 -2.489 -8.838 -5.247 111 HB2 ASP 25 HB2 ASP 25 -2.321 -7.240 -7.809 112 HB3 ASP 25 HB1 ASP 25 -1.766 -8.901 -7.635 113 H GLU 26 HN GLU 26 -1.099 -5.681 -5.998 114 HA GLU 26 HA GLU 26 1.581 -6.696 -5.977 115 HB2 GLU 26 HB2 GLU 26 0.541 -4.580 -7.177 116 HB3 GLU 26 HB1 GLU 26 1.036 -3.784 -5.689 117 HG2 GLU 26 HG2 GLU 26 2.784 -3.551 -7.302 118 HG3 GLU 26 HG1 GLU 26 3.329 -4.658 -6.044 119 H TRP 27 HN TRP 27 -0.613 -5.549 -3.553 120 HA TRP 27 HA TRP 27 1.230 -5.029 -1.484 121 HB2 TRP 27 HB2 TRP 27 -0.842 -4.528 -0.674 122 HB3 TRP 27 HB1 TRP 27 -1.628 -5.767 -1.644 123 HD1 TRP 27 HD1 TRP 27 0.353 -5.479 1.718 124 HE1 TRP 27 HE1 TRP 27 -0.490 -7.348 3.264 125 HE3 TRP 27 HE3 TRP 27 -2.746 -7.927 -1.544 126 HZ2 TRP 27 HZ2 TRP 27 -2.234 -9.534 3.135 127 HZ3 TRP 27 HZ3 TRP 27 -3.963 -9.904 -0.743 128 HH2 TRP 27 HH2 TRP 27 -3.704 -10.700 1.547 129 H ARG 28 HN ARG 28 -0.023 -7.974 -2.873 130 HA ARG 28 HA ARG 28 1.092 -9.791 -1.035 131 HB2 ARG 28 HB2 ARG 28 0.708 -10.219 -4.004 132 HB3 ARG 28 HB1 ARG 28 0.822 -11.457 -2.765 133 HG2 ARG 28 HG2 ARG 28 -1.292 -10.711 -1.808 134 HG3 ARG 28 HG1 ARG 28 -1.400 -9.447 -3.034 135 HD2 ARG 28 HD2 ARG 28 -1.480 -12.428 -3.445 136 HD3 ARG 28 HD1 ARG 28 -2.762 -11.259 -3.762 137 HE ARG 28 HE ARG 28 -0.448 -10.644 -5.283 138 HH11 ARG 28 HH11 ARG 28 -3.141 -12.878 -5.158 139 HH12 ARG 28 HH12 ARG 28 -3.105 -13.207 -6.860 140 HH21 ARG 28 HH21 ARG 28 -0.388 -11.081 -7.511 141 HH22 ARG 28 HH22 ARG 28 -1.535 -12.184 -8.206 142 H GLU 29 HN GLU 29 2.392 -8.070 -3.830 143 HA GLU 29 HA GLU 29 5.025 -9.202 -3.570 144 HB2 GLU 29 HB2 GLU 29 4.288 -8.205 -5.659 145 HB3 GLU 29 HB1 GLU 29 4.241 -6.628 -4.877 146 HG2 GLU 29 HG2 GLU 29 6.282 -7.167 -6.206 147 HG3 GLU 29 HG1 GLU 29 6.573 -6.573 -4.590 148 H HIS 30 HN HIS 30 3.453 -6.282 -2.270 149 HA HIS 30 HA HIS 30 5.665 -5.149 -1.014 150 HB2 HIS 30 HB2 HIS 30 3.494 -4.031 -0.961 151 HB3 HIS 30 HB1 HIS 30 2.822 -5.324 0.021 152 HD1 HIS 30 HD1 HIS 30 2.189 -3.707 1.936 153 HD2 HIS 30 HD2 HIS 30 6.236 -3.729 1.053 154 HE1 HIS 30 HE1 HIS 30 3.295 -2.434 3.808 155 HE2 HIS 30 HE2 HIS 30 5.733 -2.363 3.184 156 H ASN 31 HN ASN 31 3.576 -7.778 0.042 157 HA ASN 31 HA ASN 31 4.738 -8.524 2.427 158 HB2 ASN 31 HB2 ASN 31 2.733 -9.575 1.454 159 HB3 ASN 31 HB1 ASN 31 3.724 -10.319 0.209 160 HD21 ASN 31 HD21 ASN 31 2.597 -10.502 3.436 161 HD22 ASN 31 HD22 ASN 31 3.358 -11.998 3.850 162 H ALA 32 HN ALA 32 5.638 -9.454 -0.844 163 HA ALA 32 HA ALA 32 7.791 -11.137 -0.152 164 HB1 ALA 32 HB1 ALA 32 8.271 -11.149 -2.504 165 HB2 ALA 32 HB2 ALA 32 7.266 -9.714 -2.761 166 HB3 ALA 32 HB3 ALA 32 6.528 -11.245 -2.260 167 H SER 33 HN SER 33 7.794 -7.921 -1.661 168 HA SER 33 HA SER 33 10.557 -7.677 -1.826 169 HB2 SER 33 HB2 SER 33 8.970 -6.336 -3.140 170 HB3 SER 33 HB1 SER 33 8.498 -5.466 -1.685 171 HG SER 33 HG SER 33 11.096 -5.530 -2.842 172 H ARG 34 HN ARG 34 8.412 -6.749 0.842 173 HA ARG 34 HA ARG 34 10.681 -5.421 2.117 174 HB2 ARG 34 HB2 ARG 34 7.766 -5.362 2.817 175 HB3 ARG 34 HB1 ARG 34 9.027 -4.538 3.724 176 HG2 ARG 34 HG2 ARG 34 8.164 -4.017 0.892 177 HG3 ARG 34 HG1 ARG 34 8.009 -2.945 2.283 178 HD2 ARG 34 HD2 ARG 34 10.574 -3.826 0.964 179 HD3 ARG 34 HD1 ARG 34 9.824 -2.239 0.832 180 HE ARG 34 HE ARG 34 10.310 -2.834 3.545 181 HH11 ARG 34 HH11 ARG 34 11.994 -2.002 0.593 182 HH12 ARG 34 HH12 ARG 34 13.322 -1.243 1.406 183 HH21 ARG 34 HH21 ARG 34 12.067 -1.836 4.626 184 HH22 ARG 34 HH22 ARG 34 13.367 -1.159 3.702 185 H LYS 35 HN LYS 35 9.557 -8.448 2.007 186 HA LYS 35 HA LYS 35 10.002 -10.308 3.204 187 HB2 LYS 35 HB2 LYS 35 11.967 -8.432 4.464 188 HB3 LYS 35 HB1 LYS 35 11.816 -10.093 5.011 189 HG2 LYS 35 HG2 LYS 35 13.589 -10.084 3.479 190 HG3 LYS 35 HG1 LYS 35 12.222 -10.780 2.614 191 HD2 LYS 35 HD2 LYS 35 11.790 -8.548 1.614 192 HD3 LYS 35 HD1 LYS 35 13.260 -7.958 2.392 193 HE2 LYS 35 HE2 LYS 35 13.079 -10.177 0.360 194 HE3 LYS 35 HE1 LYS 35 13.687 -8.551 0.071 195 HZ1 LYS 35 HZ1 LYS 35 14.886 -10.602 1.847 196 HZ2 LYS 35 HZ2 LYS 35 15.434 -9.009 1.732 197 HZ3 LYS 35 HZ3 LYS 35 15.520 -10.031 0.388 198 H LEU 36 HN LEU 36 7.946 -8.358 4.112 199 HA LEU 36 HA LEU 36 7.696 -9.173 6.905 200 HB2 LEU 36 HB2 LEU 36 5.656 -7.461 6.601 201 HB3 LEU 36 HB1 LEU 36 7.291 -6.920 6.972 202 HG LEU 36 HG LEU 36 7.651 -6.518 4.543 203 HD11 LEU 36 HD11 LEU 36 6.109 -8.030 3.581 204 HD12 LEU 36 HD12 LEU 36 5.598 -6.400 3.136 205 HD13 LEU 36 HD13 LEU 36 4.753 -7.277 4.415 206 HD21 LEU 36 HD21 LEU 36 6.930 -4.733 6.080 207 HD22 LEU 36 HD22 LEU 36 5.248 -5.083 5.650 208 HD23 LEU 36 HD23 LEU 36 6.386 -4.495 4.418 209 H ASP 37 HN ASP 37 5.052 -9.166 7.241 210 HA ASP 37 HA ASP 37 3.911 -10.996 5.260 211 HB2 ASP 37 HB2 ASP 37 5.044 -12.337 7.069 212 HB3 ASP 37 HB1 ASP 37 3.948 -11.602 8.232 213 H LEU 38 HN LEU 38 3.522 -8.305 5.832 214 HA LEU 38 HA LEU 38 1.507 -7.673 7.640 215 HB2 LEU 38 HB2 LEU 38 1.699 -5.574 6.798 216 HB3 LEU 38 HB1 LEU 38 3.145 -6.245 6.100 217 HG LEU 38 HG LEU 38 0.562 -6.256 4.617 218 HD11 LEU 38 HD11 LEU 38 1.298 -4.111 3.619 219 HD12 LEU 38 HD12 LEU 38 2.549 -4.021 4.862 220 HD13 LEU 38 HD13 LEU 38 0.844 -3.991 5.319 221 HD21 LEU 38 HD21 LEU 38 2.552 -7.580 3.844 222 HD22 LEU 38 HD22 LEU 38 3.405 -6.047 3.648 223 HD23 LEU 38 HD23 LEU 38 1.964 -6.383 2.689 224 H SER 39 HN SER 39 -0.688 -7.348 7.423 225 HA SER 39 HA SER 39 -1.987 -8.911 5.363 226 HB2 SER 39 HB2 SER 39 -3.242 -7.332 7.608 227 HB3 SER 39 HB1 SER 39 -4.009 -8.591 6.648 228 HG SER 39 HG SER 39 -1.747 -8.985 8.324 229 H VAL 40 HN VAL 40 -4.159 -7.732 4.494 230 HA VAL 40 HA VAL 40 -3.005 -5.814 2.766 231 HB VAL 40 HB VAL 40 -5.053 -7.513 2.444 232 HG11 VAL 40 HG11 VAL 40 -6.638 -6.291 3.834 233 HG12 VAL 40 HG12 VAL 40 -7.144 -6.269 2.145 234 HG13 VAL 40 HG13 VAL 40 -6.395 -4.842 2.862 235 HG21 VAL 40 HG21 VAL 40 -3.751 -6.431 0.747 236 HG22 VAL 40 HG22 VAL 40 -4.638 -4.924 0.996 237 HG23 VAL 40 HG23 VAL 40 -5.468 -6.343 0.359 238 H GLU 41 HN GLU 41 -5.326 -5.562 5.414 239 HA GLU 41 HA GLU 41 -6.129 -2.948 5.146 240 HB2 GLU 41 HB2 GLU 41 -5.382 -4.281 7.767 241 HB3 GLU 41 HB1 GLU 41 -6.444 -2.891 7.568 242 HG2 GLU 41 HG2 GLU 41 -8.105 -4.204 6.498 243 HG3 GLU 41 HG1 GLU 41 -7.018 -5.583 6.370 244 H ASP 42 HN ASP 42 -3.274 -4.054 6.985 245 HA ASP 42 HA ASP 42 -2.113 -1.653 7.564 246 HB2 ASP 42 HB2 ASP 42 -0.742 -4.238 6.785 247 HB3 ASP 42 HB1 ASP 42 0.041 -2.891 7.590 248 H PHE 43 HN PHE 43 -1.780 -3.494 4.523 249 HA PHE 43 HA PHE 43 0.077 -1.774 3.279 250 HB2 PHE 43 HB2 PHE 43 -0.391 -3.924 2.271 251 HB3 PHE 43 HB1 PHE 43 -2.083 -3.499 2.048 252 HD1 PHE 43 HD2 PHE 43 -2.746 -1.901 0.303 253 HD2 PHE 43 HD1 PHE 43 1.328 -3.107 0.705 254 HE1 PHE 43 HE2 PHE 43 -2.254 -1.045 -1.948 255 HE2 PHE 43 HE1 PHE 43 1.792 -2.274 -1.531 256 HZ PHE 43 HZ PHE 43 0.065 -1.139 -2.817 257 H LEU 44 HN LEU 44 -3.412 -1.957 3.127 258 HA LEU 44 HA LEU 44 -3.875 0.125 1.360 259 HB2 LEU 44 HB2 LEU 44 -5.738 -0.545 3.656 260 HB3 LEU 44 HB1 LEU 44 -6.181 0.029 2.059 261 HG LEU 44 HG LEU 44 -5.521 -2.711 2.965 262 HD11 LEU 44 HD11 LEU 44 -7.796 -2.257 2.614 263 HD12 LEU 44 HD12 LEU 44 -7.259 -3.216 1.221 264 HD13 LEU 44 HD13 LEU 44 -7.478 -1.464 1.071 265 HD21 LEU 44 HD21 LEU 44 -5.288 -3.227 0.435 266 HD22 LEU 44 HD22 LEU 44 -3.891 -2.757 1.399 267 HD23 LEU 44 HD23 LEU 44 -4.686 -1.569 0.364 268 H MET 45 HN MET 45 -3.393 0.189 4.861 269 HA MET 45 HA MET 45 -3.861 2.933 5.281 270 HB2 MET 45 HB2 MET 45 -1.767 1.224 6.630 271 HB3 MET 45 HB1 MET 45 -2.435 2.728 7.242 272 HG2 MET 45 HG2 MET 45 -4.579 1.707 7.546 273 HG3 MET 45 HG1 MET 45 -4.016 0.219 6.784 274 HE1 MET 45 HE1 MET 45 -2.544 1.776 10.872 275 HE2 MET 45 HE2 MET 45 -3.778 2.571 9.895 276 HE3 MET 45 HE3 MET 45 -2.101 2.550 9.351 277 H LEU 46 HN LEU 46 -0.716 1.328 4.932 278 HA LEU 46 HA LEU 46 0.926 3.486 4.692 279 HB2 LEU 46 HB2 LEU 46 1.205 0.995 3.018 280 HB3 LEU 46 HB1 LEU 46 2.487 2.104 3.461 281 HG LEU 46 HG LEU 46 1.036 0.153 5.220 282 HD11 LEU 46 HD11 LEU 46 3.969 0.580 4.760 283 HD12 LEU 46 HD12 LEU 46 2.987 -0.566 3.853 284 HD13 LEU 46 HD13 LEU 46 3.188 -0.763 5.593 285 HD21 LEU 46 HD21 LEU 46 3.009 2.223 6.150 286 HD22 LEU 46 HD22 LEU 46 2.069 1.094 7.129 287 HD23 LEU 46 HD23 LEU 46 1.259 2.422 6.291 288 H ARG 47 HN ARG 47 -0.691 1.868 1.981 289 HA ARG 47 HA ARG 47 0.337 3.677 0.053 290 HB2 ARG 47 HB2 ARG 47 -1.352 2.699 -1.475 291 HB3 ARG 47 HB1 ARG 47 -0.373 1.490 -0.665 292 HG2 ARG 47 HG2 ARG 47 -2.232 0.488 -0.054 293 HG3 ARG 47 HG1 ARG 47 -2.635 1.894 0.929 294 HD2 ARG 47 HD2 ARG 47 -3.419 1.321 -1.910 295 HD3 ARG 47 HD1 ARG 47 -4.471 1.560 -0.505 296 HE ARG 47 HE ARG 47 -2.830 3.834 -1.076 297 HH11 ARG 47 HH11 ARG 47 -5.834 2.259 -1.946 298 HH12 ARG 47 HH12 ARG 47 -6.592 3.732 -2.454 299 HH21 ARG 47 HH21 ARG 47 -3.820 5.744 -1.716 300 HH22 ARG 47 HH22 ARG 47 -5.429 5.715 -2.356 301 H HIS 48 HN HIS 48 -2.744 3.436 1.709 302 HA HIS 48 HA HIS 48 -4.108 5.607 0.821 303 HB2 HIS 48 HB2 HIS 48 -3.975 4.168 3.356 304 HB3 HIS 48 HB1 HIS 48 -4.495 5.840 3.546 305 HD1 HIS 48 HD1 HIS 48 -6.747 4.601 4.350 306 HD2 HIS 48 HD2 HIS 48 -5.807 4.305 0.311 307 HE1 HIS 48 HE1 HIS 48 -8.853 3.803 3.227 308 HE2 HIS 48 HE2 HIS 48 -8.235 3.547 0.797 309 H ARG 49 HN ARG 49 -1.834 5.783 3.607 310 HA ARG 49 HA ARG 49 -2.184 8.550 3.920 311 HB2 ARG 49 HB2 ARG 49 0.359 7.103 4.575 312 HB3 ARG 49 HB1 ARG 49 -0.311 8.527 5.359 313 HG2 ARG 49 HG2 ARG 49 -2.244 6.999 6.049 314 HG3 ARG 49 HG1 ARG 49 -1.172 5.667 5.593 315 HD2 ARG 49 HD2 ARG 49 0.488 7.243 6.994 316 HD3 ARG 49 HD1 ARG 49 -1.022 7.531 7.841 317 HE ARG 49 HE ARG 49 0.196 4.860 7.478 318 HH11 ARG 49 HH11 ARG 49 -1.778 7.085 9.324 319 HH12 ARG 49 HH12 ARG 49 -1.722 6.133 10.773 320 HH21 ARG 49 HH21 ARG 49 0.298 3.612 9.396 321 HH22 ARG 49 HH22 ARG 49 -0.566 4.143 10.808 322 H ALA 50 HN ALA 50 0.404 6.724 2.424 323 HA ALA 50 HA ALA 50 1.989 8.779 1.480 324 HB1 ALA 50 HB1 ALA 50 2.642 6.404 1.518 325 HB2 ALA 50 HB2 ALA 50 2.964 7.172 -0.035 326 HB3 ALA 50 HB3 ALA 50 1.571 6.107 0.150 327 H ALA 51 HN ALA 51 -0.453 6.956 -0.435 328 HA ALA 51 HA ALA 51 -0.239 8.621 -2.672 329 HB1 ALA 51 HB1 ALA 51 -2.656 7.015 -1.906 330 HB2 ALA 51 HB2 ALA 51 -1.191 6.318 -2.602 331 HB3 ALA 51 HB3 ALA 51 -2.138 7.488 -3.524 332 H LEU 52 HN LEU 52 -2.330 8.898 0.180 333 HA LEU 52 HA LEU 52 -4.044 10.814 -1.155 334 HB2 LEU 52 HB2 LEU 52 -4.011 10.284 1.805 335 HB3 LEU 52 HB1 LEU 52 -5.330 10.891 0.820 336 HG LEU 52 HG LEU 52 -4.235 8.093 0.718 337 HD11 LEU 52 HD11 LEU 52 -6.747 9.188 1.948 338 HD12 LEU 52 HD12 LEU 52 -5.361 8.482 2.792 339 HD13 LEU 52 HD13 LEU 52 -6.371 7.475 1.748 340 HD21 LEU 52 HD21 LEU 52 -6.557 9.374 -0.685 341 HD22 LEU 52 HD22 LEU 52 -6.229 7.636 -0.644 342 HD23 LEU 52 HD23 LEU 52 -5.082 8.736 -1.420 343 H GLY 53 HN GLY 53 -2.348 11.144 1.975 344 HA2 GLY 53 HA2 GLY 53 -0.638 13.211 1.325 345 HA3 GLY 53 HA1 GLY 53 -2.175 13.970 1.703 346 H ALA 54 HN ALA 54 -0.673 11.105 3.167 347 HA ALA 54 HA ALA 54 -0.362 12.605 5.669 348 HB1 ALA 54 HB1 ALA 54 -0.988 10.464 6.853 349 HB2 ALA 54 HB2 ALA 54 -1.585 9.888 5.295 350 HB3 ALA 54 HB3 ALA 54 -2.304 11.310 6.040 351 H ASP 55 HN ASP 55 1.453 12.080 6.871 352 HA ASP 55 HA ASP 55 3.403 10.453 5.384 353 HB2 ASP 55 HB2 ASP 55 3.789 13.155 6.670 354 HB3 ASP 55 HB1 ASP 55 5.132 12.128 6.181 355 H ASP 56 HN ASP 56 1.903 9.415 7.535 356 HA ASP 56 HA ASP 56 3.513 9.254 9.862 357 HB2 ASP 56 HB2 ASP 56 1.065 8.496 9.530 358 HB3 ASP 56 HB1 ASP 56 1.758 7.021 8.867 359 H ASN 57 HN ASN 57 5.225 7.946 10.336 360 HA ASN 57 HA ASN 57 7.036 7.482 8.436 361 HB2 ASN 57 HB2 ASN 57 8.189 5.958 9.997 362 HB3 ASN 57 HB1 ASN 57 7.750 7.519 10.671 363 HD21 ASN 57 HD21 ASN 57 7.201 4.095 10.745 364 HD22 ASN 57 HD22 ASN 57 6.222 4.078 12.168 365 H ASP 58 HN ASP 58 4.770 4.912 9.479 366 HA ASP 58 HA ASP 58 6.208 2.881 8.111 367 HB2 ASP 58 HB2 ASP 58 4.054 1.571 8.210 368 HB3 ASP 58 HB1 ASP 58 4.685 2.107 9.755 369 H ALA 59 HN ALA 59 3.613 4.941 7.285 370 HA ALA 59 HA ALA 59 3.249 4.117 4.606 371 HB1 ALA 59 HB1 ALA 59 2.042 6.173 4.280 372 HB2 ALA 59 HB2 ALA 59 2.698 6.818 5.786 373 HB3 ALA 59 HB3 ALA 59 1.602 5.425 5.820 374 H VAL 60 HN VAL 60 5.586 6.345 6.045 375 HA VAL 60 HA VAL 60 6.200 7.476 3.465 376 HB VAL 60 HB VAL 60 7.791 8.848 4.458 377 HG11 VAL 60 HG11 VAL 60 5.617 9.491 5.163 378 HG12 VAL 60 HG12 VAL 60 6.721 9.728 6.518 379 HG13 VAL 60 HG13 VAL 60 5.644 8.329 6.488 380 HG21 VAL 60 HG21 VAL 60 7.951 6.927 6.757 381 HG22 VAL 60 HG22 VAL 60 8.742 8.503 6.710 382 HG23 VAL 60 HG23 VAL 60 9.185 7.258 5.540 383 H LYS 61 HN LYS 61 7.573 5.059 5.638 384 HA LYS 61 HA LYS 61 9.807 4.443 4.004 385 HB2 LYS 61 HB2 LYS 61 8.302 2.806 6.043 386 HB3 LYS 61 HB1 LYS 61 9.892 2.412 5.396 387 HG2 LYS 61 HG2 LYS 61 10.935 4.109 6.541 388 HG3 LYS 61 HG1 LYS 61 9.466 5.086 6.633 389 HD2 LYS 61 HD2 LYS 61 10.275 4.026 8.797 390 HD3 LYS 61 HD1 LYS 61 8.581 3.775 8.374 391 HE2 LYS 61 HE2 LYS 61 9.461 1.694 9.126 392 HE3 LYS 61 HE1 LYS 61 9.220 1.602 7.383 393 HZ1 LYS 61 HZ1 LYS 61 11.575 1.960 7.058 394 HZ2 LYS 61 HZ2 LYS 61 11.339 0.632 8.076 395 HZ3 LYS 61 HZ3 LYS 61 11.821 2.117 8.723 396 H PHE 62 HN PHE 62 6.454 3.571 3.976 397 HA PHE 62 HA PHE 62 6.589 1.537 2.012 398 HB2 PHE 62 HB2 PHE 62 4.565 1.996 3.385 399 HB3 PHE 62 HB1 PHE 62 4.375 3.537 2.555 400 HD1 PHE 62 HD2 PHE 62 4.458 -0.160 1.957 401 HD2 PHE 62 HD1 PHE 62 3.192 3.687 0.582 402 HE1 PHE 62 HE2 PHE 62 3.103 -1.223 0.211 403 HE2 PHE 62 HE1 PHE 62 1.837 2.605 -1.161 404 HZ PHE 62 HZ PHE 62 1.834 0.070 -1.325 405 H ARG 63 HN ARG 63 5.687 4.956 1.804 406 HA ARG 63 HA ARG 63 5.619 5.388 -0.860 407 HB2 ARG 63 HB2 ARG 63 5.013 7.036 0.767 408 HB3 ARG 63 HB1 ARG 63 6.652 7.117 1.376 409 HG2 ARG 63 HG2 ARG 63 6.363 7.776 -1.464 410 HG3 ARG 63 HG1 ARG 63 5.558 8.880 -0.345 411 HD2 ARG 63 HD2 ARG 63 8.113 8.276 0.731 412 HD3 ARG 63 HD1 ARG 63 8.318 8.680 -0.975 413 HE ARG 63 HE ARG 63 6.684 10.478 0.641 414 HH11 ARG 63 HH11 ARG 63 9.737 9.859 -0.958 415 HH12 ARG 63 HH12 ARG 63 10.278 11.503 -0.839 416 HH21 ARG 63 HH21 ARG 63 7.378 12.648 0.776 417 HH22 ARG 63 HH22 ARG 63 8.936 13.092 0.154 418 H SER 64 HN SER 64 8.544 6.094 1.042 419 HA SER 64 HA SER 64 10.330 6.593 -0.877 420 HB2 SER 64 HB2 SER 64 12.074 5.480 0.628 421 HB3 SER 64 HB1 SER 64 11.065 6.738 1.344 422 HG SER 64 HG SER 64 9.972 5.261 2.472 423 H TRP 65 HN TRP 65 9.760 3.225 0.212 424 HA TRP 65 HA TRP 65 11.461 2.162 -1.824 425 HB2 TRP 65 HB2 TRP 65 11.457 0.729 -0.069 426 HB3 TRP 65 HB1 TRP 65 9.785 1.073 0.346 427 HD1 TRP 65 HD1 TRP 65 11.828 -1.143 -2.090 428 HE1 TRP 65 HE1 TRP 65 10.357 -3.175 -2.710 429 HE3 TRP 65 HE3 TRP 65 7.550 0.335 0.131 430 HZ2 TRP 65 HZ2 TRP 65 7.678 -3.988 -2.331 431 HZ3 TRP 65 HZ3 TRP 65 5.550 -1.102 -0.027 432 HH2 TRP 65 HH2 TRP 65 5.619 -3.227 -1.232 433 H TRP 66 HN TRP 66 7.970 2.374 -1.428 434 HA TRP 66 HA TRP 66 7.304 0.650 -3.573 435 HB2 TRP 66 HB2 TRP 66 5.857 1.245 -1.614 436 HB3 TRP 66 HB1 TRP 66 5.641 2.839 -2.318 437 HD1 TRP 66 HD1 TRP 66 3.612 3.116 -3.740 438 HE1 TRP 66 HE1 TRP 66 1.912 1.583 -4.846 439 HE3 TRP 66 HE3 TRP 66 5.872 -1.344 -2.859 440 HZ2 TRP 66 HZ2 TRP 66 1.554 -1.127 -5.312 441 HZ3 TRP 66 HZ3 TRP 66 4.778 -3.388 -3.679 442 HH2 TRP 66 HH2 TRP 66 2.662 -3.280 -4.878 443 H ASN 67 HN ASN 67 7.769 4.118 -3.326 444 HA ASN 67 HA ASN 67 6.722 4.591 -5.984 445 HB2 ASN 67 HB2 ASN 67 7.868 6.318 -3.836 446 HB3 ASN 67 HB1 ASN 67 7.662 6.947 -5.469 447 HD21 ASN 67 HD21 ASN 67 6.059 5.714 -2.657 448 HD22 ASN 67 HD22 ASN 67 4.481 6.277 -3.070 449 H SER 68 HN SER 68 9.453 3.256 -4.960 450 HA SER 68 HA SER 68 11.176 4.626 -6.854 451 HB2 SER 68 HB2 SER 68 12.101 4.203 -4.585 452 HB3 SER 68 HB1 SER 68 11.886 2.476 -4.852 453 HG SER 68 HG SER 68 13.306 3.819 -6.812 454 H ARG 69 HN ARG 69 9.126 2.065 -6.479 455 HA ARG 69 HA ARG 69 10.422 0.464 -8.560 456 HB2 ARG 69 HB2 ARG 69 9.131 -1.459 -7.370 457 HB3 ARG 69 HB1 ARG 69 10.666 -0.903 -6.738 458 HG2 ARG 69 HG2 ARG 69 9.751 0.047 -4.911 459 HG3 ARG 69 HG1 ARG 69 8.202 0.343 -5.695 460 HD2 ARG 69 HD2 ARG 69 9.305 -2.201 -4.545 461 HD3 ARG 69 HD1 ARG 69 7.759 -1.418 -4.207 462 HE ARG 69 HE ARG 69 7.219 -2.025 -6.614 463 HH11 ARG 69 HH11 ARG 69 9.409 -3.924 -4.641 464 HH12 ARG 69 HH12 ARG 69 9.064 -5.412 -5.460 465 HH21 ARG 69 HH21 ARG 69 6.759 -3.991 -7.694 466 HH22 ARG 69 HH22 ARG 69 7.560 -5.449 -7.203 467 H THR 70 HN THR 70 7.309 0.851 -6.952 468 HA THR 70 HA THR 70 5.909 0.042 -9.391 469 HB THR 70 HB THR 70 4.702 0.592 -6.697 470 HG1 THR 70 HG1 THR 70 5.181 -2.052 -7.288 471 HG21 THR 70 HG21 THR 70 3.131 0.333 -8.526 472 HG22 THR 70 HG22 THR 70 3.026 -1.042 -7.432 473 HG23 THR 70 HG23 THR 70 3.868 -1.202 -8.974 474 H LYS 71 HN LYS 71 5.311 2.344 -6.792 475 HA LYS 71 HA LYS 71 4.693 4.530 -6.738 476 HB2 LYS 71 HB2 LYS 71 4.838 4.520 -9.718 477 HB3 LYS 71 HB1 LYS 71 4.741 5.909 -8.665 478 HG2 LYS 71 HG2 LYS 71 6.927 5.431 -7.754 479 HG3 LYS 71 HG1 LYS 71 7.034 3.976 -8.744 480 HD2 LYS 71 HD2 LYS 71 8.307 5.815 -9.719 481 HD3 LYS 71 HD1 LYS 71 6.964 5.344 -10.764 482 HE2 LYS 71 HE2 LYS 71 5.640 7.208 -9.845 483 HE3 LYS 71 HE1 LYS 71 7.030 7.691 -8.877 484 HZ1 LYS 71 HZ1 LYS 71 6.945 7.586 -11.846 485 HZ2 LYS 71 HZ2 LYS 71 8.270 8.065 -10.915 486 HZ3 LYS 71 HZ3 LYS 71 6.858 8.991 -10.909 487 H MET 72 HN MET 72 3.048 2.071 -8.086 488 HA MET 72 HA MET 72 0.874 1.517 -8.185 489 HB2 MET 72 HB2 MET 72 -0.539 2.647 -6.378 490 HB3 MET 72 HB1 MET 72 0.844 1.704 -5.890 491 HG2 MET 72 HG2 MET 72 1.010 3.564 -4.566 492 HG3 MET 72 HG1 MET 72 2.074 3.972 -5.907 493 HE1 MET 72 HE1 MET 72 1.049 6.156 -3.897 494 HE2 MET 72 HE2 MET 72 0.573 7.451 -4.995 495 HE3 MET 72 HE3 MET 72 2.047 6.532 -5.301 496 H ALA 73 HN ALA 73 -1.465 2.742 -7.714 497 HA ALA 73 HA ALA 73 -1.747 4.966 -9.525 498 HB1 ALA 73 HB1 ALA 73 -3.616 3.917 -10.687 499 HB2 ALA 73 HB2 ALA 73 -3.339 2.437 -9.768 500 HB3 ALA 73 HB3 ALA 73 -2.127 3.005 -10.915 501 H ASN 74 HN ASN 74 -1.719 4.850 -6.822 502 HA ASN 74 HA ASN 74 -2.870 5.224 -4.882 503 HB2 ASN 74 HB2 ASN 74 -2.866 7.383 -6.173 504 HB3 ASN 74 HB1 ASN 74 -4.494 7.008 -6.713 505 HD21 ASN 74 HD21 ASN 74 -3.229 9.131 -4.962 506 HD22 ASN 74 HD22 ASN 74 -4.219 9.150 -3.543 507 H ASP 75 HN ASP 75 -5.786 5.817 -6.741 508 HA ASP 75 HA ASP 75 -6.729 3.117 -6.371 509 HB2 ASP 75 HB2 ASP 75 -8.772 3.701 -5.215 510 HB3 ASP 75 HB1 ASP 75 -7.402 4.262 -4.268 511 H TYR 76 HN TYR 76 -5.947 4.672 -8.635 512 HA TYR 76 HA TYR 76 -8.426 5.547 -9.893 513 HB2 TYR 76 HB2 TYR 76 -5.604 5.398 -10.944 514 HB3 TYR 76 HB1 TYR 76 -6.971 6.119 -11.791 515 HD1 TYR 76 HD1 TYR 76 -8.205 8.043 -10.508 516 HD2 TYR 76 HD2 TYR 76 -4.254 6.745 -9.618 517 HE1 TYR 76 HE1 TYR 76 -7.752 10.189 -9.425 518 HE2 TYR 76 HE2 TYR 76 -3.788 8.888 -8.531 519 HH TYR 76 HH TYR 76 -4.634 11.225 -8.615 Start of MODEL 3 1 H1 GLY 10 HT1 GLY 10 -9.921 6.563 -5.354 2 H2 GLY 10 HT2 GLY 10 -9.599 7.998 -4.516 3 H3 GLY 10 HT3 GLY 10 -10.992 7.106 -4.162 4 HA2 GLY 10 HA1 GLY 10 -8.227 6.130 -3.751 5 HA3 GLY 10 HA2 GLY 10 -9.222 6.839 -2.488 6 H THR 11 HN THR 11 -9.233 4.960 -1.240 7 HA THR 11 HA THR 11 -11.240 3.048 -2.053 8 HB THR 11 HB THR 11 -8.733 1.846 -0.948 9 HG1 THR 11 HG1 THR 11 -9.154 2.154 -3.747 10 HG21 THR 11 HG21 THR 11 -10.236 0.156 -1.090 11 HG22 THR 11 HG22 THR 11 -9.678 0.106 -2.764 12 HG23 THR 11 HG23 THR 11 -11.169 0.952 -2.358 13 H TYR 12 HN TYR 12 -10.037 1.379 0.271 14 HA TYR 12 HA TYR 12 -11.013 2.999 2.507 15 HB2 TYR 12 HB2 TYR 12 -12.073 0.249 2.194 16 HB3 TYR 12 HB1 TYR 12 -12.766 1.619 3.056 17 HD1 TYR 12 HD2 TYR 12 -13.941 3.386 1.805 18 HD2 TYR 12 HD1 TYR 12 -12.521 -0.129 -0.088 19 HE1 TYR 12 HE2 TYR 12 -15.368 3.864 -0.136 20 HE2 TYR 12 HE1 TYR 12 -13.910 0.327 -2.026 21 HH TYR 12 HH TYR 12 -16.033 1.604 -2.532 22 H ARG 13 HN ARG 13 -11.100 1.229 4.467 23 HA ARG 13 HA ARG 13 -9.296 -0.977 4.198 24 HB2 ARG 13 HB2 ARG 13 -7.628 0.704 4.690 25 HB3 ARG 13 HB1 ARG 13 -8.580 1.303 6.041 26 HG2 ARG 13 HG2 ARG 13 -8.302 -0.892 7.156 27 HG3 ARG 13 HG1 ARG 13 -7.226 -1.389 5.847 28 HD2 ARG 13 HD2 ARG 13 -5.977 -0.601 7.782 29 HD3 ARG 13 HD1 ARG 13 -5.723 0.437 6.382 30 HE ARG 13 HE ARG 13 -7.366 1.983 7.425 31 HH11 ARG 13 HH11 ARG 13 -5.648 -0.317 9.441 32 HH12 ARG 13 HH12 ARG 13 -5.797 0.645 10.874 33 HH21 ARG 13 HH21 ARG 13 -7.544 3.248 9.306 34 HH22 ARG 13 HH22 ARG 13 -6.875 2.672 10.798 35 H GLY 14 HN GLY 14 -9.619 -2.514 5.841 36 HA2 GLY 14 HA2 GLY 14 -10.821 -3.614 7.455 37 HA3 GLY 14 HA1 GLY 14 -11.008 -2.052 8.233 38 H ARG 15 HN ARG 15 -12.243 -3.456 5.199 39 HA ARG 15 HA ARG 15 -14.909 -3.558 6.164 40 HB2 ARG 15 HB2 ARG 15 -15.836 -1.902 4.481 41 HB3 ARG 15 HB1 ARG 15 -15.012 -1.211 5.867 42 HG2 ARG 15 HG2 ARG 15 -14.085 0.066 4.260 43 HG3 ARG 15 HG1 ARG 15 -12.956 -1.287 4.189 44 HD2 ARG 15 HD2 ARG 15 -13.637 -0.616 1.958 45 HD3 ARG 15 HD1 ARG 15 -14.235 -2.244 2.326 46 HE ARG 15 HE ARG 15 -16.160 -0.223 2.938 47 HH11 ARG 15 HH11 ARG 15 -14.798 -2.081 0.295 48 HH12 ARG 15 HH12 ARG 15 -16.193 -1.895 -0.718 49 HH21 ARG 15 HH21 ARG 15 -17.990 0.015 1.607 50 HH22 ARG 15 HH22 ARG 15 -18.012 -0.710 0.029 51 H GLY 16 HN GLY 16 -13.221 -5.421 5.055 52 HA2 GLY 16 HA2 GLY 16 -13.286 -7.113 3.489 53 HA3 GLY 16 HA1 GLY 16 -14.774 -6.400 2.870 54 H VAL 17 HN VAL 17 -11.855 -4.586 3.226 55 HA VAL 17 HA VAL 17 -11.984 -3.466 0.713 56 HB VAL 17 HB VAL 17 -9.382 -3.075 1.059 57 HG11 VAL 17 HG11 VAL 17 -11.223 -1.465 1.051 58 HG12 VAL 17 HG12 VAL 17 -9.995 -1.096 2.269 59 HG13 VAL 17 HG13 VAL 17 -11.529 -1.822 2.754 60 HG21 VAL 17 HG21 VAL 17 -9.058 -4.617 2.868 61 HG22 VAL 17 HG22 VAL 17 -10.400 -3.919 3.777 62 HG23 VAL 17 HG23 VAL 17 -8.933 -2.981 3.518 63 H ALA 18 HN ALA 18 -11.554 -3.971 -1.185 64 HA ALA 18 HA ALA 18 -9.773 -6.246 -1.737 65 HB1 ALA 18 HB1 ALA 18 -10.841 -6.371 -3.938 66 HB2 ALA 18 HB2 ALA 18 -11.861 -4.993 -3.525 67 HB3 ALA 18 HB3 ALA 18 -12.035 -6.512 -2.647 68 H LEU 19 HN LEU 19 -10.001 -2.945 -1.656 69 HA LEU 19 HA LEU 19 -8.649 -1.245 -2.269 70 HB2 LEU 19 HB2 LEU 19 -7.088 -2.823 -1.214 71 HB3 LEU 19 HB1 LEU 19 -6.758 -3.512 -2.746 72 HG LEU 19 HG LEU 19 -5.057 -1.990 -1.703 73 HD11 LEU 19 HD11 LEU 19 -4.420 -2.379 -3.782 74 HD12 LEU 19 HD12 LEU 19 -4.875 -0.682 -3.987 75 HD13 LEU 19 HD13 LEU 19 -5.989 -1.961 -4.462 76 HD21 LEU 19 HD21 LEU 19 -5.334 0.388 -2.071 77 HD22 LEU 19 HD22 LEU 19 -6.498 -0.263 -0.919 78 HD23 LEU 19 HD23 LEU 19 -7.005 0.104 -2.569 79 H THR 20 HN THR 20 -7.279 -0.430 -4.371 80 HA THR 20 HA THR 20 -8.784 -1.011 -6.668 81 HB THR 20 HB THR 20 -7.551 1.103 -6.427 82 HG1 THR 20 HG1 THR 20 -6.337 0.503 -8.695 83 HG21 THR 20 HG21 THR 20 -5.502 0.323 -5.424 84 HG22 THR 20 HG22 THR 20 -5.132 1.149 -6.939 85 HG23 THR 20 HG23 THR 20 -5.117 -0.616 -6.865 86 H ASP 21 HN ASP 21 -7.483 -1.672 -8.745 87 HA ASP 21 HA ASP 21 -7.352 -4.455 -8.491 88 HB2 ASP 21 HB2 ASP 21 -6.353 -2.750 -10.776 89 HB3 ASP 21 HB1 ASP 21 -6.664 -4.481 -10.853 90 H ASP 22 HN ASP 22 -4.672 -2.245 -9.284 91 HA ASP 22 HA ASP 22 -2.781 -4.334 -9.459 92 HB2 ASP 22 HB2 ASP 22 -2.416 -1.365 -9.109 93 HB3 ASP 22 HB1 ASP 22 -1.080 -2.479 -9.360 94 H GLU 23 HN GLU 23 -3.076 -1.804 -7.007 95 HA GLU 23 HA GLU 23 -0.886 -2.576 -5.537 96 HB2 GLU 23 HB2 GLU 23 -3.300 -1.132 -4.480 97 HB3 GLU 23 HB1 GLU 23 -1.677 -1.134 -3.787 98 HG2 GLU 23 HG2 GLU 23 -0.781 -0.150 -5.843 99 HG3 GLU 23 HG1 GLU 23 -2.415 -0.054 -6.496 100 H TYR 24 HN TYR 24 -4.175 -3.843 -5.168 101 HA TYR 24 HA TYR 24 -3.715 -5.079 -2.677 102 HB2 TYR 24 HB2 TYR 24 -5.929 -4.731 -3.819 103 HB3 TYR 24 HB1 TYR 24 -5.513 -6.055 -4.903 104 HD1 TYR 24 HD2 TYR 24 -5.322 -8.437 -3.982 105 HD2 TYR 24 HD1 TYR 24 -6.732 -5.150 -1.625 106 HE1 TYR 24 HE2 TYR 24 -6.250 -9.993 -2.328 107 HE2 TYR 24 HE1 TYR 24 -7.656 -6.723 0.017 108 HH TYR 24 HH TYR 24 -6.826 -9.955 0.132 109 H ASP 25 HN ASP 25 -3.785 -6.606 -5.874 110 HA ASP 25 HA ASP 25 -2.400 -8.923 -5.355 111 HB2 ASP 25 HB2 ASP 25 -3.413 -8.378 -7.533 112 HB3 ASP 25 HB1 ASP 25 -2.140 -7.204 -7.836 113 H GLU 26 HN GLU 26 -1.053 -5.757 -6.097 114 HA GLU 26 HA GLU 26 1.672 -6.532 -6.028 115 HB2 GLU 26 HB2 GLU 26 0.333 -3.861 -5.722 116 HB3 GLU 26 HB1 GLU 26 2.067 -4.060 -5.784 117 HG2 GLU 26 HG2 GLU 26 0.159 -4.880 -7.958 118 HG3 GLU 26 HG1 GLU 26 1.080 -3.378 -7.934 119 H TRP 27 HN TRP 27 -0.599 -5.730 -3.512 120 HA TRP 27 HA TRP 27 1.223 -5.145 -1.439 121 HB2 TRP 27 HB2 TRP 27 -0.893 -4.667 -0.708 122 HB3 TRP 27 HB1 TRP 27 -1.616 -5.989 -1.614 123 HD1 TRP 27 HD1 TRP 27 0.419 -5.494 1.691 124 HE1 TRP 27 HE1 TRP 27 -0.374 -7.286 3.348 125 HE3 TRP 27 HE3 TRP 27 -2.778 -8.089 -1.353 126 HZ2 TRP 27 HZ2 TRP 27 -2.122 -9.475 3.378 127 HZ3 TRP 27 HZ3 TRP 27 -3.968 -10.032 -0.423 128 HH2 TRP 27 HH2 TRP 27 -3.639 -10.716 1.898 129 H ARG 28 HN ARG 28 -0.021 -8.112 -2.779 130 HA ARG 28 HA ARG 28 1.102 -9.878 -0.899 131 HB2 ARG 28 HB2 ARG 28 0.601 -10.401 -3.839 132 HB3 ARG 28 HB1 ARG 28 0.706 -11.600 -2.556 133 HG2 ARG 28 HG2 ARG 28 -1.287 -10.393 -1.504 134 HG3 ARG 28 HG1 ARG 28 -1.458 -9.589 -3.063 135 HD2 ARG 28 HD2 ARG 28 -1.425 -12.578 -2.693 136 HD3 ARG 28 HD1 ARG 28 -2.891 -11.605 -2.780 137 HE ARG 28 HE ARG 28 -1.516 -10.967 -5.051 138 HH11 ARG 28 HH11 ARG 28 -2.637 -13.960 -3.622 139 HH12 ARG 28 HH12 ARG 28 -2.909 -14.735 -5.149 140 HH21 ARG 28 HH21 ARG 28 -1.891 -11.969 -7.056 141 HH22 ARG 28 HH22 ARG 28 -2.485 -13.606 -7.100 142 H GLU 29 HN GLU 29 2.390 -8.267 -3.761 143 HA GLU 29 HA GLU 29 4.967 -9.520 -3.562 144 HB2 GLU 29 HB2 GLU 29 4.187 -8.496 -5.671 145 HB3 GLU 29 HB1 GLU 29 4.242 -6.911 -4.905 146 HG2 GLU 29 HG2 GLU 29 6.591 -6.961 -4.725 147 HG3 GLU 29 HG1 GLU 29 6.656 -8.685 -5.095 148 H HIS 30 HN HIS 30 3.627 -6.421 -2.456 149 HA HIS 30 HA HIS 30 5.781 -5.335 -1.143 150 HB2 HIS 30 HB2 HIS 30 3.606 -4.212 -1.206 151 HB3 HIS 30 HB1 HIS 30 2.914 -5.444 -0.161 152 HD1 HIS 30 HD1 HIS 30 2.252 -3.764 1.671 153 HD2 HIS 30 HD2 HIS 30 6.311 -3.740 0.806 154 HE1 HIS 30 HE1 HIS 30 3.318 -2.367 3.484 155 HE2 HIS 30 HE2 HIS 30 5.746 -2.214 2.815 156 H ASN 31 HN ASN 31 3.722 -7.987 -0.070 157 HA ASN 31 HA ASN 31 4.795 -8.444 2.456 158 HB2 ASN 31 HB2 ASN 31 2.834 -9.644 1.626 159 HB3 ASN 31 HB1 ASN 31 3.819 -10.459 0.419 160 HD21 ASN 31 HD21 ASN 31 2.909 -10.323 3.752 161 HD22 ASN 31 HD22 ASN 31 3.693 -11.785 4.239 162 H ALA 32 HN ALA 32 5.763 -9.802 -0.658 163 HA ALA 32 HA ALA 32 8.004 -11.228 0.266 164 HB1 ALA 32 HB1 ALA 32 6.864 -11.607 -1.882 165 HB2 ALA 32 HB2 ALA 32 8.610 -11.438 -2.042 166 HB3 ALA 32 HB3 ALA 32 7.552 -10.095 -2.481 167 H SER 33 HN SER 33 7.937 -8.168 -1.583 168 HA SER 33 HA SER 33 10.688 -7.825 -1.620 169 HB2 SER 33 HB2 SER 33 9.151 -6.666 -3.147 170 HB3 SER 33 HB1 SER 33 8.564 -5.672 -1.822 171 HG SER 33 HG SER 33 11.305 -5.782 -2.533 172 H ARG 34 HN ARG 34 8.375 -6.592 0.791 173 HA ARG 34 HA ARG 34 10.540 -5.092 2.020 174 HB2 ARG 34 HB2 ARG 34 7.589 -5.091 2.431 175 HB3 ARG 34 HB1 ARG 34 8.668 -4.368 3.620 176 HG2 ARG 34 HG2 ARG 34 8.474 -3.614 0.708 177 HG3 ARG 34 HG1 ARG 34 7.850 -2.690 2.076 178 HD2 ARG 34 HD2 ARG 34 10.728 -3.278 1.407 179 HD3 ARG 34 HD1 ARG 34 9.918 -1.714 1.389 180 HE ARG 34 HE ARG 34 9.602 -2.330 3.931 181 HH11 ARG 34 HH11 ARG 34 12.449 -2.740 1.931 182 HH12 ARG 34 HH12 ARG 34 13.560 -2.514 3.242 183 HH21 ARG 34 HH21 ARG 34 11.063 -2.030 5.662 184 HH22 ARG 34 HH22 ARG 34 12.768 -2.098 5.365 185 H LYS 35 HN LYS 35 9.463 -8.142 2.194 186 HA LYS 35 HA LYS 35 9.904 -9.884 3.560 187 HB2 LYS 35 HB2 LYS 35 12.155 -8.303 3.556 188 HB3 LYS 35 HB1 LYS 35 11.836 -8.504 5.272 189 HG2 LYS 35 HG2 LYS 35 13.375 -10.198 4.435 190 HG3 LYS 35 HG1 LYS 35 11.876 -10.916 5.025 191 HD2 LYS 35 HD2 LYS 35 12.599 -11.951 2.927 192 HD3 LYS 35 HD1 LYS 35 11.059 -11.119 2.729 193 HE2 LYS 35 HE2 LYS 35 12.263 -9.190 1.767 194 HE3 LYS 35 HE1 LYS 35 13.773 -10.087 1.912 195 HZ1 LYS 35 HZ1 LYS 35 11.430 -10.909 0.283 196 HZ2 LYS 35 HZ2 LYS 35 12.894 -11.746 0.401 197 HZ3 LYS 35 HZ3 LYS 35 12.853 -10.218 -0.320 198 H LEU 36 HN LEU 36 7.656 -8.999 4.311 199 HA LEU 36 HA LEU 36 7.709 -8.833 7.205 200 HB2 LEU 36 HB2 LEU 36 5.682 -7.117 6.786 201 HB3 LEU 36 HB1 LEU 36 7.342 -6.584 7.025 202 HG LEU 36 HG LEU 36 7.611 -6.405 4.577 203 HD11 LEU 36 HD11 LEU 36 6.094 -8.045 3.797 204 HD12 LEU 36 HD12 LEU 36 5.514 -6.482 3.216 205 HD13 LEU 36 HD13 LEU 36 4.736 -7.262 4.598 206 HD21 LEU 36 HD21 LEU 36 5.191 -4.928 5.598 207 HD22 LEU 36 HD22 LEU 36 6.277 -4.432 4.286 208 HD23 LEU 36 HD23 LEU 36 6.868 -4.492 5.946 209 H ASP 37 HN ASP 37 5.077 -8.696 7.701 210 HA ASP 37 HA ASP 37 3.827 -10.815 6.107 211 HB2 ASP 37 HB2 ASP 37 5.035 -11.804 8.089 212 HB3 ASP 37 HB1 ASP 37 3.992 -10.849 9.134 213 H LEU 38 HN LEU 38 3.409 -8.116 6.055 214 HA LEU 38 HA LEU 38 1.426 -7.192 7.837 215 HB2 LEU 38 HB2 LEU 38 1.674 -5.217 6.753 216 HB3 LEU 38 HB1 LEU 38 3.116 -5.991 6.164 217 HG LEU 38 HG LEU 38 0.552 -6.115 4.645 218 HD11 LEU 38 HD11 LEU 38 0.896 -3.795 5.054 219 HD12 LEU 38 HD12 LEU 38 1.400 -4.143 3.397 220 HD13 LEU 38 HD13 LEU 38 2.611 -3.935 4.664 221 HD21 LEU 38 HD21 LEU 38 3.403 -6.111 3.682 222 HD22 LEU 38 HD22 LEU 38 1.956 -6.572 2.783 223 HD23 LEU 38 HD23 LEU 38 2.539 -7.587 4.106 224 H SER 39 HN SER 39 -0.775 -6.875 7.520 225 HA SER 39 HA SER 39 -2.030 -8.684 5.634 226 HB2 SER 39 HB2 SER 39 -3.361 -6.790 7.562 227 HB3 SER 39 HB1 SER 39 -4.076 -8.196 6.792 228 HG SER 39 HG SER 39 -1.898 -8.995 8.082 229 H VAL 40 HN VAL 40 -4.162 -7.613 4.598 230 HA VAL 40 HA VAL 40 -3.049 -5.824 2.695 231 HB VAL 40 HB VAL 40 -5.100 -7.561 2.537 232 HG11 VAL 40 HG11 VAL 40 -6.424 -4.871 2.897 233 HG12 VAL 40 HG12 VAL 40 -6.735 -6.355 3.801 234 HG13 VAL 40 HG13 VAL 40 -7.188 -6.249 2.100 235 HG21 VAL 40 HG21 VAL 40 -5.522 -6.610 0.371 236 HG22 VAL 40 HG22 VAL 40 -3.801 -6.568 0.763 237 HG23 VAL 40 HG23 VAL 40 -4.773 -5.093 0.871 238 H GLU 41 HN GLU 41 -5.472 -5.437 5.231 239 HA GLU 41 HA GLU 41 -6.084 -2.799 4.924 240 HB2 GLU 41 HB2 GLU 41 -5.611 -4.157 7.589 241 HB3 GLU 41 HB1 GLU 41 -6.616 -2.738 7.287 242 HG2 GLU 41 HG2 GLU 41 -8.177 -4.019 6.023 243 HG3 GLU 41 HG1 GLU 41 -7.125 -5.432 6.051 244 H ASP 42 HN ASP 42 -3.277 -4.149 6.666 245 HA ASP 42 HA ASP 42 -2.117 -1.768 7.449 246 HB2 ASP 42 HB2 ASP 42 -0.792 -4.368 6.656 247 HB3 ASP 42 HB1 ASP 42 0.037 -3.039 7.446 248 H PHE 43 HN PHE 43 -1.736 -3.526 4.373 249 HA PHE 43 HA PHE 43 0.131 -1.784 3.200 250 HB2 PHE 43 HB2 PHE 43 -0.381 -3.884 2.106 251 HB3 PHE 43 HB1 PHE 43 -2.065 -3.413 1.906 252 HD1 PHE 43 HD2 PHE 43 -2.552 -1.341 0.382 253 HD2 PHE 43 HD1 PHE 43 1.166 -3.435 0.401 254 HE1 PHE 43 HE2 PHE 43 -2.024 -0.396 -1.816 255 HE2 PHE 43 HE1 PHE 43 1.692 -2.488 -1.809 256 HZ PHE 43 HZ PHE 43 0.096 -0.971 -2.914 257 H LEU 44 HN LEU 44 -3.365 -1.900 3.078 258 HA LEU 44 HA LEU 44 -3.764 0.281 1.421 259 HB2 LEU 44 HB2 LEU 44 -5.724 -0.518 3.562 260 HB3 LEU 44 HB1 LEU 44 -6.076 0.124 1.964 261 HG LEU 44 HG LEU 44 -5.400 -2.650 2.785 262 HD11 LEU 44 HD11 LEU 44 -7.120 -3.125 1.041 263 HD12 LEU 44 HD12 LEU 44 -7.339 -1.371 0.884 264 HD13 LEU 44 HD13 LEU 44 -7.682 -2.167 2.419 265 HD21 LEU 44 HD21 LEU 44 -3.702 -2.460 1.233 266 HD22 LEU 44 HD22 LEU 44 -4.647 -1.421 0.168 267 HD23 LEU 44 HD23 LEU 44 -5.041 -3.137 0.307 268 H MET 45 HN MET 45 -3.128 0.125 4.840 269 HA MET 45 HA MET 45 -3.742 2.823 5.501 270 HB2 MET 45 HB2 MET 45 -1.502 1.139 6.632 271 HB3 MET 45 HB1 MET 45 -2.176 2.584 7.361 272 HG2 MET 45 HG2 MET 45 -4.327 1.375 7.583 273 HG3 MET 45 HG1 MET 45 -3.507 -0.086 7.020 274 HE1 MET 45 HE1 MET 45 -0.602 1.042 8.494 275 HE2 MET 45 HE2 MET 45 -0.959 -0.676 8.351 276 HE3 MET 45 HE3 MET 45 -0.597 0.018 9.927 277 H LEU 46 HN LEU 46 -0.617 1.313 4.846 278 HA LEU 46 HA LEU 46 0.987 3.547 4.807 279 HB2 LEU 46 HB2 LEU 46 1.348 1.181 2.974 280 HB3 LEU 46 HB1 LEU 46 2.597 2.242 3.593 281 HG LEU 46 HG LEU 46 1.045 0.148 5.096 282 HD11 LEU 46 HD11 LEU 46 4.008 0.523 4.818 283 HD12 LEU 46 HD12 LEU 46 3.047 -0.484 3.740 284 HD13 LEU 46 HD13 LEU 46 3.142 -0.876 5.456 285 HD21 LEU 46 HD21 LEU 46 3.026 2.070 6.284 286 HD22 LEU 46 HD22 LEU 46 2.012 0.890 7.122 287 HD23 LEU 46 HD23 LEU 46 1.280 2.313 6.370 288 H ARG 47 HN ARG 47 -0.499 1.953 2.032 289 HA ARG 47 HA ARG 47 0.273 3.822 0.103 290 HB2 ARG 47 HB2 ARG 47 -0.459 1.935 -0.898 291 HB3 ARG 47 HB1 ARG 47 -1.668 1.617 0.334 292 HG2 ARG 47 HG2 ARG 47 -2.544 3.901 -0.979 293 HG3 ARG 47 HG1 ARG 47 -1.958 2.827 -2.248 294 HD2 ARG 47 HD2 ARG 47 -3.478 1.184 -1.746 295 HD3 ARG 47 HD1 ARG 47 -3.673 1.727 -0.077 296 HE ARG 47 HE ARG 47 -5.296 3.188 -0.763 297 HH11 ARG 47 HH11 ARG 47 -3.535 2.032 -3.546 298 HH12 ARG 47 HH12 ARG 47 -4.665 2.716 -4.687 299 HH21 ARG 47 HH21 ARG 47 -6.759 4.106 -2.268 300 HH22 ARG 47 HH22 ARG 47 -6.487 3.864 -3.963 301 H HIS 48 HN HIS 48 -2.891 3.490 1.737 302 HA HIS 48 HA HIS 48 -4.267 5.671 1.057 303 HB2 HIS 48 HB2 HIS 48 -3.974 4.228 3.570 304 HB3 HIS 48 HB1 HIS 48 -4.439 5.908 3.815 305 HD1 HIS 48 HD1 HIS 48 -6.643 4.595 4.764 306 HD2 HIS 48 HD2 HIS 48 -6.064 4.612 0.659 307 HE1 HIS 48 HE1 HIS 48 -8.839 3.896 3.776 308 HE2 HIS 48 HE2 HIS 48 -8.374 3.651 1.316 309 H ARG 49 HN ARG 49 -1.726 5.826 3.558 310 HA ARG 49 HA ARG 49 -2.166 8.591 4.002 311 HB2 ARG 49 HB2 ARG 49 0.304 7.038 4.670 312 HB3 ARG 49 HB1 ARG 49 -0.263 8.534 5.421 313 HG2 ARG 49 HG2 ARG 49 -2.308 7.294 6.141 314 HG3 ARG 49 HG1 ARG 49 -1.548 5.812 5.554 315 HD2 ARG 49 HD2 ARG 49 0.429 6.730 7.026 316 HD3 ARG 49 HD1 ARG 49 -0.902 7.490 7.887 317 HE ARG 49 HE ARG 49 -0.399 4.611 7.629 318 HH11 ARG 49 HH11 ARG 49 -2.376 7.208 8.903 319 HH12 ARG 49 HH12 ARG 49 -3.172 6.200 10.067 320 HH21 ARG 49 HH21 ARG 49 -1.443 3.289 9.180 321 HH22 ARG 49 HH22 ARG 49 -2.632 3.982 10.235 322 H ALA 50 HN ALA 50 0.003 6.783 1.934 323 HA ALA 50 HA ALA 50 1.543 8.982 1.032 324 HB1 ALA 50 HB1 ALA 50 0.946 6.467 -0.517 325 HB2 ALA 50 HB2 ALA 50 2.169 6.585 0.748 326 HB3 ALA 50 HB3 ALA 50 2.326 7.554 -0.719 327 H ALA 51 HN ALA 51 -1.117 7.253 -0.663 328 HA ALA 51 HA ALA 51 -1.534 9.029 -2.714 329 HB1 ALA 51 HB1 ALA 51 -2.578 6.810 -2.544 330 HB2 ALA 51 HB2 ALA 51 -3.757 8.069 -2.909 331 HB3 ALA 51 HB3 ALA 51 -3.641 7.422 -1.273 332 H LEU 52 HN LEU 52 -3.008 9.088 0.514 333 HA LEU 52 HA LEU 52 -4.739 11.274 -0.152 334 HB2 LEU 52 HB2 LEU 52 -4.119 10.387 2.651 335 HB3 LEU 52 HB1 LEU 52 -5.601 11.085 2.020 336 HG LEU 52 HG LEU 52 -4.586 8.325 1.369 337 HD11 LEU 52 HD11 LEU 52 -5.283 8.513 3.692 338 HD12 LEU 52 HD12 LEU 52 -6.387 7.505 2.750 339 HD13 LEU 52 HD13 LEU 52 -6.845 9.159 3.173 340 HD21 LEU 52 HD21 LEU 52 -7.155 9.717 0.678 341 HD22 LEU 52 HD22 LEU 52 -6.804 8.007 0.389 342 HD23 LEU 52 HD23 LEU 52 -5.867 9.256 -0.438 343 H GLY 53 HN GLY 53 -2.373 11.132 2.544 344 HA2 GLY 53 HA2 GLY 53 -0.448 12.795 1.706 345 HA3 GLY 53 HA1 GLY 53 -1.736 13.920 2.092 346 H ALA 54 HN ALA 54 -0.854 10.932 3.831 347 HA ALA 54 HA ALA 54 -0.185 12.605 6.141 348 HB1 ALA 54 HB1 ALA 54 -2.080 11.324 6.694 349 HB2 ALA 54 HB2 ALA 54 -0.709 10.533 7.476 350 HB3 ALA 54 HB3 ALA 54 -1.386 9.867 5.992 351 H ASP 55 HN ASP 55 1.678 12.222 7.266 352 HA ASP 55 HA ASP 55 3.638 10.584 5.822 353 HB2 ASP 55 HB2 ASP 55 3.960 13.125 7.413 354 HB3 ASP 55 HB1 ASP 55 5.332 12.098 7.012 355 H ASP 56 HN ASP 56 2.002 9.354 7.687 356 HA ASP 56 HA ASP 56 3.434 8.833 10.093 357 HB2 ASP 56 HB2 ASP 56 1.202 8.051 10.075 358 HB3 ASP 56 HB1 ASP 56 1.412 7.254 8.523 359 H ASN 57 HN ASN 57 5.387 7.937 10.255 360 HA ASN 57 HA ASN 57 7.075 7.431 8.303 361 HB2 ASN 57 HB2 ASN 57 8.358 5.963 9.795 362 HB3 ASN 57 HB1 ASN 57 7.889 7.495 10.511 363 HD21 ASN 57 HD21 ASN 57 7.553 4.064 10.601 364 HD22 ASN 57 HD22 ASN 57 6.640 3.978 12.064 365 H ASP 58 HN ASP 58 4.900 4.840 9.470 366 HA ASP 58 HA ASP 58 6.204 2.752 8.073 367 HB2 ASP 58 HB2 ASP 58 3.336 3.071 8.963 368 HB3 ASP 58 HB1 ASP 58 3.927 1.619 8.165 369 H ALA 59 HN ALA 59 3.668 4.952 7.280 370 HA ALA 59 HA ALA 59 3.182 4.020 4.642 371 HB1 ALA 59 HB1 ALA 59 2.625 6.742 5.786 372 HB2 ALA 59 HB2 ALA 59 1.568 5.325 5.935 373 HB3 ALA 59 HB3 ALA 59 1.898 6.023 4.346 374 H VAL 60 HN VAL 60 5.450 6.372 6.001 375 HA VAL 60 HA VAL 60 5.953 7.557 3.439 376 HB VAL 60 HB VAL 60 7.561 8.938 4.414 377 HG11 VAL 60 HG11 VAL 60 5.519 8.355 6.533 378 HG12 VAL 60 HG12 VAL 60 5.351 9.469 5.175 379 HG13 VAL 60 HG13 VAL 60 6.520 9.806 6.453 380 HG21 VAL 60 HG21 VAL 60 8.509 8.550 6.688 381 HG22 VAL 60 HG22 VAL 60 9.036 7.427 5.434 382 HG23 VAL 60 HG23 VAL 60 7.825 6.925 6.613 383 H LYS 61 HN LYS 61 7.545 5.138 5.481 384 HA LYS 61 HA LYS 61 9.731 4.691 3.751 385 HB2 LYS 61 HB2 LYS 61 8.367 2.849 5.711 386 HB3 LYS 61 HB1 LYS 61 9.972 2.610 5.023 387 HG2 LYS 61 HG2 LYS 61 10.903 4.327 6.247 388 HG3 LYS 61 HG1 LYS 61 9.347 5.138 6.487 389 HD2 LYS 61 HD2 LYS 61 10.358 3.943 8.510 390 HD3 LYS 61 HD1 LYS 61 8.679 3.556 8.119 391 HE2 LYS 61 HE2 LYS 61 9.412 1.566 6.933 392 HE3 LYS 61 HE1 LYS 61 11.088 1.936 7.322 393 HZ1 LYS 61 HZ1 LYS 61 10.327 0.315 8.856 394 HZ2 LYS 61 HZ2 LYS 61 8.929 1.191 9.210 395 HZ3 LYS 61 HZ3 LYS 61 10.435 1.772 9.709 396 H PHE 62 HN PHE 62 6.470 3.365 3.953 397 HA PHE 62 HA PHE 62 6.646 1.422 1.952 398 HB2 PHE 62 HB2 PHE 62 4.652 1.630 3.334 399 HB3 PHE 62 HB1 PHE 62 4.337 3.238 2.690 400 HD1 PHE 62 HD2 PHE 62 4.287 -0.366 1.940 401 HD2 PHE 62 HD1 PHE 62 3.336 3.541 0.558 402 HE1 PHE 62 HE2 PHE 62 2.919 -1.342 0.154 403 HE2 PHE 62 HE1 PHE 62 1.958 2.571 -1.231 404 HZ PHE 62 HZ PHE 62 1.765 0.097 -1.430 405 H ARG 63 HN ARG 63 5.454 4.760 1.693 406 HA ARG 63 HA ARG 63 5.367 5.124 -0.988 407 HB2 ARG 63 HB2 ARG 63 4.691 6.847 0.500 408 HB3 ARG 63 HB1 ARG 63 6.271 6.936 1.243 409 HG2 ARG 63 HG2 ARG 63 6.005 7.639 -1.636 410 HG3 ARG 63 HG1 ARG 63 5.433 8.778 -0.414 411 HD2 ARG 63 HD2 ARG 63 7.816 8.258 0.656 412 HD3 ARG 63 HD1 ARG 63 8.196 7.835 -1.011 413 HE ARG 63 HE ARG 63 7.908 10.054 -1.654 414 HH11 ARG 63 HH11 ARG 63 7.325 9.620 1.767 415 HH12 ARG 63 HH12 ARG 63 7.420 11.309 2.135 416 HH21 ARG 63 HH21 ARG 63 8.063 12.292 -1.166 417 HH22 ARG 63 HH22 ARG 63 7.841 12.828 0.471 418 H SER 64 HN SER 64 8.222 5.979 0.923 419 HA SER 64 HA SER 64 10.110 6.391 -0.880 420 HB2 SER 64 HB2 SER 64 10.546 6.386 1.530 421 HB3 SER 64 HB1 SER 64 10.503 4.624 1.547 422 HG SER 64 HG SER 64 12.308 6.075 -0.084 423 H TRP 65 HN TRP 65 9.441 3.058 0.239 424 HA TRP 65 HA TRP 65 11.178 1.863 -1.660 425 HB2 TRP 65 HB2 TRP 65 10.887 0.567 0.225 426 HB3 TRP 65 HB1 TRP 65 9.161 0.879 0.297 427 HD1 TRP 65 HD1 TRP 65 11.686 -1.400 -1.527 428 HE1 TRP 65 HE1 TRP 65 10.397 -3.473 -2.387 429 HE3 TRP 65 HE3 TRP 65 7.006 0.106 -0.399 430 HZ2 TRP 65 HZ2 TRP 65 7.704 -4.297 -2.600 431 HZ3 TRP 65 HZ3 TRP 65 5.104 -1.361 -0.949 432 HH2 TRP 65 HH2 TRP 65 5.451 -3.530 -2.018 433 H TRP 66 HN TRP 66 7.667 2.242 -1.568 434 HA TRP 66 HA TRP 66 7.231 0.517 -3.797 435 HB2 TRP 66 HB2 TRP 66 5.649 0.924 -1.872 436 HB3 TRP 66 HB1 TRP 66 5.300 2.494 -2.580 437 HD1 TRP 66 HD1 TRP 66 3.023 2.379 -3.676 438 HE1 TRP 66 HE1 TRP 66 1.736 0.715 -5.123 439 HE3 TRP 66 HE3 TRP 66 6.436 -1.417 -3.775 440 HZ2 TRP 66 HZ2 TRP 66 2.103 -1.829 -6.177 441 HZ3 TRP 66 HZ3 TRP 66 5.884 -3.445 -5.040 442 HH2 TRP 66 HH2 TRP 66 3.764 -3.654 -6.224 443 H ASN 67 HN ASN 67 7.868 3.898 -3.446 444 HA ASN 67 HA ASN 67 6.758 4.501 -6.082 445 HB2 ASN 67 HB2 ASN 67 7.700 6.159 -3.797 446 HB3 ASN 67 HB1 ASN 67 7.625 6.860 -5.410 447 HD21 ASN 67 HD21 ASN 67 5.805 5.474 -2.806 448 HD22 ASN 67 HD22 ASN 67 4.261 6.033 -3.328 449 H SER 68 HN SER 68 9.474 3.224 -4.987 450 HA SER 68 HA SER 68 11.223 4.663 -6.817 451 HB2 SER 68 HB2 SER 68 11.823 2.309 -5.002 452 HB3 SER 68 HB1 SER 68 13.010 3.188 -5.967 453 HG SER 68 HG SER 68 11.565 4.056 -3.695 454 H ARG 69 HN ARG 69 9.123 2.052 -6.686 455 HA ARG 69 HA ARG 69 10.399 0.700 -8.942 456 HB2 ARG 69 HB2 ARG 69 8.702 -1.161 -7.860 457 HB3 ARG 69 HB1 ARG 69 10.425 -1.057 -7.570 458 HG2 ARG 69 HG2 ARG 69 10.164 -0.055 -5.495 459 HG3 ARG 69 HG1 ARG 69 8.499 0.416 -5.824 460 HD2 ARG 69 HD2 ARG 69 8.700 -1.481 -4.246 461 HD3 ARG 69 HD1 ARG 69 7.773 -1.867 -5.694 462 HE ARG 69 HE ARG 69 10.617 -2.596 -5.485 463 HH11 ARG 69 HH11 ARG 69 7.272 -3.441 -6.020 464 HH12 ARG 69 HH12 ARG 69 7.605 -5.095 -6.432 465 HH21 ARG 69 HH21 ARG 69 11.073 -4.785 -6.009 466 HH22 ARG 69 HH22 ARG 69 9.772 -5.855 -6.412 467 H THR 70 HN THR 70 7.275 0.885 -7.340 468 HA THR 70 HA THR 70 5.852 0.565 -9.856 469 HB THR 70 HB THR 70 4.791 0.832 -7.062 470 HG1 THR 70 HG1 THR 70 5.037 -1.650 -8.386 471 HG21 THR 70 HG21 THR 70 3.079 1.200 -8.689 472 HG22 THR 70 HG22 THR 70 2.848 -0.407 -8.000 473 HG23 THR 70 HG23 THR 70 3.567 -0.229 -9.603 474 H LYS 71 HN LYS 71 5.686 2.667 -7.036 475 HA LYS 71 HA LYS 71 4.979 4.792 -6.713 476 HB2 LYS 71 HB2 LYS 71 4.946 5.071 -9.694 477 HB3 LYS 71 HB1 LYS 71 4.902 6.352 -8.504 478 HG2 LYS 71 HG2 LYS 71 7.132 5.638 -7.703 479 HG3 LYS 71 HG1 LYS 71 7.183 4.474 -9.023 480 HD2 LYS 71 HD2 LYS 71 8.445 6.512 -9.522 481 HD3 LYS 71 HD1 LYS 71 7.097 6.280 -10.642 482 HE2 LYS 71 HE2 LYS 71 5.771 7.906 -9.439 483 HE3 LYS 71 HE1 LYS 71 7.025 8.063 -8.210 484 HZ1 LYS 71 HZ1 LYS 71 8.487 9.031 -9.814 485 HZ2 LYS 71 HZ2 LYS 71 7.022 9.872 -9.868 486 HZ3 LYS 71 HZ3 LYS 71 7.396 8.749 -11.075 487 H MET 72 HN MET 72 3.376 2.402 -7.355 488 HA MET 72 HA MET 72 1.234 1.717 -7.383 489 HB2 MET 72 HB2 MET 72 -0.202 3.079 -5.808 490 HB3 MET 72 HB1 MET 72 1.314 2.458 -5.186 491 HG2 MET 72 HG2 MET 72 1.382 4.548 -4.385 492 HG3 MET 72 HG1 MET 72 2.186 4.804 -5.925 493 HE1 MET 72 HE1 MET 72 0.145 8.117 -5.384 494 HE2 MET 72 HE2 MET 72 1.744 7.421 -5.638 495 HE3 MET 72 HE3 MET 72 0.888 7.134 -4.122 496 H ALA 73 HN ALA 73 -1.168 3.021 -7.107 497 HA ALA 73 HA ALA 73 -1.739 4.751 -9.259 498 HB1 ALA 73 HB1 ALA 73 -1.279 2.755 -10.590 499 HB2 ALA 73 HB2 ALA 73 -2.985 3.189 -10.660 500 HB3 ALA 73 HB3 ALA 73 -2.459 1.851 -9.639 501 H ASN 74 HN ASN 74 -2.690 5.749 -7.485 502 HA ASN 74 HA ASN 74 -3.978 5.158 -5.345 503 HB2 ASN 74 HB2 ASN 74 -5.191 7.000 -7.409 504 HB3 ASN 74 HB1 ASN 74 -5.652 6.960 -5.714 505 HD21 ASN 74 HD21 ASN 74 -2.930 6.501 -4.783 506 HD22 ASN 74 HD22 ASN 74 -2.117 8.017 -4.953 507 H ASP 75 HN ASP 75 -6.238 5.417 -8.105 508 HA ASP 75 HA ASP 75 -7.074 2.691 -7.627 509 HB2 ASP 75 HB2 ASP 75 -9.471 3.202 -7.474 510 HB3 ASP 75 HB1 ASP 75 -8.589 3.910 -6.130 511 H TYR 76 HN TYR 76 -5.607 3.773 -9.639 512 HA TYR 76 HA TYR 76 -7.460 4.133 -11.882 513 HB2 TYR 76 HB2 TYR 76 -4.522 4.740 -11.619 514 HB3 TYR 76 HB1 TYR 76 -5.488 5.015 -13.068 515 HD1 TYR 76 HD1 TYR 76 -7.477 6.631 -12.880 516 HD2 TYR 76 HD2 TYR 76 -4.418 6.355 -9.940 517 HE1 TYR 76 HE1 TYR 76 -8.085 8.852 -12.048 518 HE2 TYR 76 HE2 TYR 76 -5.020 8.572 -9.095 519 HH TYR 76 HH TYR 76 -7.881 10.175 -9.975 Start of MODEL 4 1 H1 GLY 10 HT1 GLY 10 -11.071 7.628 -4.322 2 H2 GLY 10 HT2 GLY 10 -12.207 6.942 -3.275 3 H3 GLY 10 HT3 GLY 10 -11.939 6.257 -4.795 4 HA2 GLY 10 HA1 GLY 10 -9.695 5.655 -4.175 5 HA3 GLY 10 HA2 GLY 10 -9.959 6.380 -2.597 6 H THR 11 HN THR 11 -9.597 4.425 -1.492 7 HA THR 11 HA THR 11 -11.851 2.568 -1.691 8 HB THR 11 HB THR 11 -9.289 1.407 -0.812 9 HG1 THR 11 HG1 THR 11 -9.765 1.774 -3.603 10 HG21 THR 11 HG21 THR 11 -11.177 -0.015 -0.904 11 HG22 THR 11 HG22 THR 11 -10.162 -0.453 -2.284 12 HG23 THR 11 HG23 THR 11 -11.597 0.539 -2.524 13 H TYR 12 HN TYR 12 -10.366 1.055 0.515 14 HA TYR 12 HA TYR 12 -11.076 2.780 2.771 15 HB2 TYR 12 HB2 TYR 12 -12.294 0.082 2.704 16 HB3 TYR 12 HB1 TYR 12 -12.885 1.553 3.475 17 HD1 TYR 12 HD2 TYR 12 -13.848 3.372 1.912 18 HD2 TYR 12 HD1 TYR 12 -13.179 -0.649 0.726 19 HE1 TYR 12 HE2 TYR 12 -15.400 3.669 0.040 20 HE2 TYR 12 HE1 TYR 12 -14.705 -0.364 -1.140 21 HH TYR 12 HH TYR 12 -15.838 2.681 -2.160 22 H ARG 13 HN ARG 13 -11.404 0.756 4.582 23 HA ARG 13 HA ARG 13 -9.476 -1.317 4.407 24 HB2 ARG 13 HB2 ARG 13 -7.935 0.457 5.044 25 HB3 ARG 13 HB1 ARG 13 -8.999 0.941 6.359 26 HG2 ARG 13 HG2 ARG 13 -8.673 -1.369 7.312 27 HG3 ARG 13 HG1 ARG 13 -7.403 -1.597 6.109 28 HD2 ARG 13 HD2 ARG 13 -6.367 -0.912 8.129 29 HD3 ARG 13 HD1 ARG 13 -6.302 0.441 7.008 30 HE ARG 13 HE ARG 13 -8.335 1.281 8.263 31 HH11 ARG 13 HH11 ARG 13 -5.896 -0.715 9.784 32 HH12 ARG 13 HH12 ARG 13 -6.181 -0.080 11.369 33 HH21 ARG 13 HH21 ARG 13 -8.729 2.103 10.368 34 HH22 ARG 13 HH22 ARG 13 -7.798 1.504 11.705 35 H GLY 14 HN GLY 14 -9.930 -2.912 5.991 36 HA2 GLY 14 HA2 GLY 14 -11.064 -3.846 7.803 37 HA3 GLY 14 HA1 GLY 14 -11.677 -2.247 8.179 38 H ARG 15 HN ARG 15 -12.084 -4.608 5.530 39 HA ARG 15 HA ARG 15 -14.797 -5.057 5.966 40 HB2 ARG 15 HB2 ARG 15 -15.748 -3.674 4.088 41 HB3 ARG 15 HB1 ARG 15 -15.231 -2.755 5.495 42 HG2 ARG 15 HG2 ARG 15 -13.027 -2.438 4.223 43 HG3 ARG 15 HG1 ARG 15 -13.943 -2.961 2.803 44 HD2 ARG 15 HD2 ARG 15 -14.523 -0.625 4.603 45 HD3 ARG 15 HD1 ARG 15 -13.951 -0.563 2.928 46 HE ARG 15 HE ARG 15 -16.286 -1.941 2.754 47 HH11 ARG 15 HH11 ARG 15 -15.427 1.158 4.147 48 HH12 ARG 15 HH12 ARG 15 -16.946 1.895 3.751 49 HH21 ARG 15 HH21 ARG 15 -18.288 -0.971 2.242 50 HH22 ARG 15 HH22 ARG 15 -18.573 0.683 2.680 51 H GLY 16 HN GLY 16 -12.490 -6.490 5.150 52 HA2 GLY 16 HA2 GLY 16 -11.725 -7.950 3.542 53 HA3 GLY 16 HA1 GLY 16 -13.379 -7.960 2.932 54 H VAL 17 HN VAL 17 -11.462 -5.112 3.253 55 HA VAL 17 HA VAL 17 -12.040 -3.890 0.929 56 HB VAL 17 HB VAL 17 -9.439 -3.074 1.124 57 HG11 VAL 17 HG11 VAL 17 -10.350 -1.243 2.425 58 HG12 VAL 17 HG12 VAL 17 -11.786 -2.200 2.787 59 HG13 VAL 17 HG13 VAL 17 -11.445 -1.720 1.125 60 HG21 VAL 17 HG21 VAL 17 -10.305 -4.057 3.851 61 HG22 VAL 17 HG22 VAL 17 -8.961 -2.959 3.558 62 HG23 VAL 17 HG23 VAL 17 -8.909 -4.603 2.918 63 H ALA 18 HN ALA 18 -11.719 -4.081 -1.083 64 HA ALA 18 HA ALA 18 -9.903 -6.123 -2.083 65 HB1 ALA 18 HB1 ALA 18 -12.206 -6.082 -2.940 66 HB2 ALA 18 HB2 ALA 18 -11.025 -5.814 -4.222 67 HB3 ALA 18 HB3 ALA 18 -11.936 -4.456 -3.563 68 H LEU 19 HN LEU 19 -10.052 -2.790 -1.536 69 HA LEU 19 HA LEU 19 -8.603 -1.073 -1.956 70 HB2 LEU 19 HB2 LEU 19 -7.132 -2.854 -1.124 71 HB3 LEU 19 HB1 LEU 19 -6.869 -3.380 -2.729 72 HG LEU 19 HG LEU 19 -5.090 -2.057 -1.468 73 HD11 LEU 19 HD11 LEU 19 -5.879 -1.896 -4.257 74 HD12 LEU 19 HD12 LEU 19 -4.360 -2.396 -3.509 75 HD13 LEU 19 HD13 LEU 19 -4.741 -0.677 -3.690 76 HD21 LEU 19 HD21 LEU 19 -6.954 0.140 -2.242 77 HD22 LEU 19 HD22 LEU 19 -5.229 0.383 -1.957 78 HD23 LEU 19 HD23 LEU 19 -6.262 -0.214 -0.657 79 H THR 20 HN THR 20 -7.076 -0.298 -4.100 80 HA THR 20 HA THR 20 -8.674 -0.692 -6.401 81 HB THR 20 HB THR 20 -7.453 1.330 -6.406 82 HG1 THR 20 HG1 THR 20 -7.377 0.872 -8.481 83 HG21 THR 20 HG21 THR 20 -5.013 1.472 -6.334 84 HG22 THR 20 HG22 THR 20 -4.922 -0.282 -6.127 85 HG23 THR 20 HG23 THR 20 -5.661 0.718 -4.876 86 H ASP 21 HN ASP 21 -7.647 -1.634 -8.472 87 HA ASP 21 HA ASP 21 -7.664 -4.383 -7.965 88 HB2 ASP 21 HB2 ASP 21 -8.473 -3.544 -10.058 89 HB3 ASP 21 HB1 ASP 21 -6.896 -2.870 -10.455 90 H ASP 22 HN ASP 22 -4.920 -2.445 -9.159 91 HA ASP 22 HA ASP 22 -3.220 -4.714 -9.344 92 HB2 ASP 22 HB2 ASP 22 -3.071 -2.594 -10.698 93 HB3 ASP 22 HB1 ASP 22 -2.374 -1.834 -9.276 94 H GLU 23 HN GLU 23 -3.057 -1.894 -7.235 95 HA GLU 23 HA GLU 23 -0.922 -2.435 -5.688 96 HB2 GLU 23 HB2 GLU 23 -3.493 -1.283 -4.669 97 HB3 GLU 23 HB1 GLU 23 -1.895 -1.108 -3.941 98 HG2 GLU 23 HG2 GLU 23 -2.360 -0.268 -6.762 99 HG3 GLU 23 HG1 GLU 23 -2.756 0.767 -5.407 100 H TYR 24 HN TYR 24 -4.146 -3.819 -5.166 101 HA TYR 24 HA TYR 24 -3.676 -4.915 -2.627 102 HB2 TYR 24 HB2 TYR 24 -5.889 -4.641 -3.650 103 HB3 TYR 24 HB1 TYR 24 -5.495 -5.860 -4.854 104 HD1 TYR 24 HD2 TYR 24 -5.199 -8.227 -4.159 105 HD2 TYR 24 HD1 TYR 24 -6.762 -5.291 -1.465 106 HE1 TYR 24 HE2 TYR 24 -6.128 -10.015 -2.760 107 HE2 TYR 24 HE1 TYR 24 -7.700 -7.090 -0.081 108 HH TYR 24 HH TYR 24 -6.854 -10.373 -0.468 109 H ASP 25 HN ASP 25 -3.786 -6.702 -5.684 110 HA ASP 25 HA ASP 25 -2.387 -8.964 -4.993 111 HB2 ASP 25 HB2 ASP 25 -3.377 -8.448 -7.269 112 HB3 ASP 25 HB1 ASP 25 -1.901 -7.555 -7.621 113 H GLU 26 HN GLU 26 -1.054 -5.842 -5.884 114 HA GLU 26 HA GLU 26 1.668 -6.596 -5.811 115 HB2 GLU 26 HB2 GLU 26 0.317 -3.923 -5.534 116 HB3 GLU 26 HB1 GLU 26 2.056 -4.127 -5.642 117 HG2 GLU 26 HG2 GLU 26 0.052 -4.948 -7.730 118 HG3 GLU 26 HG1 GLU 26 1.082 -3.520 -7.790 119 H TRP 27 HN TRP 27 -0.580 -5.781 -3.287 120 HA TRP 27 HA TRP 27 1.270 -5.172 -1.245 121 HB2 TRP 27 HB2 TRP 27 -0.797 -4.699 -0.440 122 HB3 TRP 27 HB1 TRP 27 -1.567 -5.950 -1.402 123 HD1 TRP 27 HD1 TRP 27 0.395 -5.623 1.976 124 HE1 TRP 27 HE1 TRP 27 -0.489 -7.465 3.534 125 HE3 TRP 27 HE3 TRP 27 -2.698 -8.092 -1.289 126 HZ2 TRP 27 HZ2 TRP 27 -2.258 -9.627 3.413 127 HZ3 TRP 27 HZ3 TRP 27 -3.945 -10.046 -0.471 128 HH2 TRP 27 HH2 TRP 27 -3.719 -10.806 1.837 129 H ARG 28 HN ARG 28 -0.018 -8.171 -2.502 130 HA ARG 28 HA ARG 28 1.165 -9.915 -0.654 131 HB2 ARG 28 HB2 ARG 28 0.681 -10.446 -3.596 132 HB3 ARG 28 HB1 ARG 28 0.806 -11.645 -2.315 133 HG2 ARG 28 HG2 ARG 28 -1.219 -10.433 -1.278 134 HG3 ARG 28 HG1 ARG 28 -1.403 -9.705 -2.869 135 HD2 ARG 28 HD2 ARG 28 -1.294 -12.674 -2.375 136 HD3 ARG 28 HD1 ARG 28 -2.787 -11.745 -2.499 137 HE ARG 28 HE ARG 28 -1.539 -11.140 -4.804 138 HH11 ARG 28 HH11 ARG 28 -2.159 -14.197 -3.222 139 HH12 ARG 28 HH12 ARG 28 -2.367 -15.070 -4.706 140 HH21 ARG 28 HH21 ARG 28 -1.844 -12.272 -6.768 141 HH22 ARG 28 HH22 ARG 28 -2.171 -13.984 -6.722 142 H GLU 29 HN GLU 29 2.407 -8.367 -3.573 143 HA GLU 29 HA GLU 29 5.001 -9.576 -3.393 144 HB2 GLU 29 HB2 GLU 29 4.126 -8.612 -5.502 145 HB3 GLU 29 HB1 GLU 29 4.210 -7.008 -4.782 146 HG2 GLU 29 HG2 GLU 29 6.597 -7.135 -4.615 147 HG3 GLU 29 HG1 GLU 29 6.585 -8.821 -5.138 148 H HIS 30 HN HIS 30 3.593 -6.539 -2.265 149 HA HIS 30 HA HIS 30 5.788 -5.318 -1.121 150 HB2 HIS 30 HB2 HIS 30 3.647 -4.209 -1.109 151 HB3 HIS 30 HB1 HIS 30 2.946 -5.464 -0.096 152 HD1 HIS 30 HD1 HIS 30 2.326 -4.131 1.938 153 HD2 HIS 30 HD2 HIS 30 6.255 -3.478 0.763 154 HE1 HIS 30 HE1 HIS 30 3.325 -2.651 3.724 155 HE2 HIS 30 HE2 HIS 30 5.669 -2.179 2.920 156 H ASN 31 HN ASN 31 3.815 -7.937 0.216 157 HA ASN 31 HA ASN 31 5.046 -8.304 2.671 158 HB2 ASN 31 HB2 ASN 31 3.832 -10.232 0.710 159 HB3 ASN 31 HB1 ASN 31 4.587 -10.821 2.185 160 HD21 ASN 31 HD21 ASN 31 3.543 -10.603 4.102 161 HD22 ASN 31 HD22 ASN 31 1.925 -9.996 4.243 162 H ALA 32 HN ALA 32 5.920 -9.663 -0.474 163 HA ALA 32 HA ALA 32 8.230 -11.032 0.401 164 HB1 ALA 32 HB1 ALA 32 8.718 -11.340 -1.920 165 HB2 ALA 32 HB2 ALA 32 7.615 -10.035 -2.365 166 HB3 ALA 32 HB3 ALA 32 6.984 -11.531 -1.667 167 H SER 33 HN SER 33 7.969 -8.040 -1.543 168 HA SER 33 HA SER 33 10.716 -7.675 -1.774 169 HB2 SER 33 HB2 SER 33 9.069 -6.625 -3.268 170 HB3 SER 33 HB1 SER 33 8.564 -5.554 -1.969 171 HG SER 33 HG SER 33 11.216 -5.713 -2.980 172 H ARG 34 HN ARG 34 8.523 -6.384 0.700 173 HA ARG 34 HA ARG 34 10.743 -4.875 1.833 174 HB2 ARG 34 HB2 ARG 34 7.819 -4.942 2.454 175 HB3 ARG 34 HB1 ARG 34 8.978 -4.155 3.519 176 HG2 ARG 34 HG2 ARG 34 8.473 -3.483 0.626 177 HG3 ARG 34 HG1 ARG 34 7.961 -2.545 2.027 178 HD2 ARG 34 HD2 ARG 34 10.772 -3.045 1.064 179 HD3 ARG 34 HD1 ARG 34 9.908 -1.513 1.117 180 HE ARG 34 HE ARG 34 10.443 -2.905 3.639 181 HH11 ARG 34 HH11 ARG 34 11.084 -0.213 1.499 182 HH12 ARG 34 HH12 ARG 34 11.916 0.714 2.701 183 HH21 ARG 34 HH21 ARG 34 11.545 -1.690 5.226 184 HH22 ARG 34 HH22 ARG 34 12.183 -0.129 4.817 185 H LYS 35 HN LYS 35 9.846 -7.935 1.927 186 HA LYS 35 HA LYS 35 10.321 -9.699 3.237 187 HB2 LYS 35 HB2 LYS 35 12.311 -7.776 4.398 188 HB3 LYS 35 HB1 LYS 35 12.324 -9.514 4.660 189 HG2 LYS 35 HG2 LYS 35 12.496 -8.216 1.964 190 HG3 LYS 35 HG1 LYS 35 13.898 -8.723 2.908 191 HD2 LYS 35 HD2 LYS 35 13.140 -11.023 2.839 192 HD3 LYS 35 HD1 LYS 35 11.666 -10.539 2.000 193 HE2 LYS 35 HE2 LYS 35 13.237 -11.450 0.412 194 HE3 LYS 35 HE1 LYS 35 13.037 -9.723 0.122 195 HZ1 LYS 35 HZ1 LYS 35 15.304 -11.016 1.538 196 HZ2 LYS 35 HZ2 LYS 35 15.103 -9.347 1.362 197 HZ3 LYS 35 HZ3 LYS 35 15.348 -10.314 0.000 198 H LEU 36 HN LEU 36 8.067 -8.388 4.084 199 HA LEU 36 HA LEU 36 8.219 -8.625 6.987 200 HB2 LEU 36 HB2 LEU 36 6.306 -6.792 6.846 201 HB3 LEU 36 HB1 LEU 36 8.002 -6.337 6.933 202 HG LEU 36 HG LEU 36 8.015 -6.003 4.488 203 HD11 LEU 36 HD11 LEU 36 6.403 -7.455 3.655 204 HD12 LEU 36 HD12 LEU 36 5.691 -5.854 3.431 205 HD13 LEU 36 HD13 LEU 36 5.172 -6.880 4.773 206 HD21 LEU 36 HD21 LEU 36 5.749 -4.507 5.783 207 HD22 LEU 36 HD22 LEU 36 6.811 -3.958 4.475 208 HD23 LEU 36 HD23 LEU 36 7.457 -4.185 6.101 209 H ASP 37 HN ASP 37 5.703 -8.465 7.673 210 HA ASP 37 HA ASP 37 4.089 -10.056 5.841 211 HB2 ASP 37 HB2 ASP 37 5.179 -11.698 7.321 212 HB3 ASP 37 HB1 ASP 37 4.587 -10.824 8.730 213 H LEU 38 HN LEU 38 2.481 -8.701 5.542 214 HA LEU 38 HA LEU 38 1.091 -7.664 7.890 215 HB2 LEU 38 HB2 LEU 38 0.950 -5.482 7.089 216 HB3 LEU 38 HB1 LEU 38 2.582 -5.939 6.779 217 HG LEU 38 HG LEU 38 0.470 -5.975 4.759 218 HD11 LEU 38 HD11 LEU 38 0.893 -3.725 5.554 219 HD12 LEU 38 HD12 LEU 38 1.544 -3.927 3.925 220 HD13 LEU 38 HD13 LEU 38 2.630 -3.972 5.322 221 HD21 LEU 38 HD21 LEU 38 3.450 -6.217 4.512 222 HD22 LEU 38 HD22 LEU 38 2.324 -6.130 3.159 223 HD23 LEU 38 HD23 LEU 38 2.285 -7.513 4.253 224 H SER 39 HN SER 39 -1.062 -7.188 7.550 225 HA SER 39 HA SER 39 -2.247 -8.744 5.411 226 HB2 SER 39 HB2 SER 39 -3.570 -7.283 7.698 227 HB3 SER 39 HB1 SER 39 -4.366 -8.399 6.591 228 HG SER 39 HG SER 39 -2.094 -9.262 7.992 229 H VAL 40 HN VAL 40 -4.304 -7.643 4.400 230 HA VAL 40 HA VAL 40 -3.092 -5.734 2.732 231 HB VAL 40 HB VAL 40 -5.222 -7.403 2.467 232 HG11 VAL 40 HG11 VAL 40 -7.190 -6.016 1.903 233 HG12 VAL 40 HG12 VAL 40 -6.384 -4.626 2.631 234 HG13 VAL 40 HG13 VAL 40 -6.813 -6.017 3.625 235 HG21 VAL 40 HG21 VAL 40 -5.457 -6.439 0.261 236 HG22 VAL 40 HG22 VAL 40 -3.764 -6.580 0.748 237 HG23 VAL 40 HG23 VAL 40 -4.574 -5.006 0.790 238 H GLU 41 HN GLU 41 -5.539 -5.426 5.227 239 HA GLU 41 HA GLU 41 -6.299 -2.831 5.056 240 HB2 GLU 41 HB2 GLU 41 -5.488 -4.174 7.650 241 HB3 GLU 41 HB1 GLU 41 -6.593 -2.818 7.477 242 HG2 GLU 41 HG2 GLU 41 -8.113 -4.266 6.187 243 HG3 GLU 41 HG1 GLU 41 -7.026 -5.622 6.484 244 H ASP 42 HN ASP 42 -3.391 -3.903 6.877 245 HA ASP 42 HA ASP 42 -2.382 -1.403 7.485 246 HB2 ASP 42 HB2 ASP 42 -0.985 -4.037 7.022 247 HB3 ASP 42 HB1 ASP 42 -0.146 -2.600 7.582 248 H PHE 43 HN PHE 43 -1.809 -3.396 4.595 249 HA PHE 43 HA PHE 43 0.093 -1.745 3.374 250 HB2 PHE 43 HB2 PHE 43 -0.307 -3.909 2.420 251 HB3 PHE 43 HB1 PHE 43 -2.005 -3.543 2.156 252 HD1 PHE 43 HD2 PHE 43 -2.632 -1.883 0.378 253 HD2 PHE 43 HD1 PHE 43 1.345 -3.337 0.795 254 HE1 PHE 43 HE2 PHE 43 -2.098 -1.112 -1.898 255 HE2 PHE 43 HE1 PHE 43 1.886 -2.565 -1.460 256 HZ PHE 43 HZ PHE 43 0.112 -1.511 -2.846 257 H LEU 44 HN LEU 44 -3.381 -1.938 2.953 258 HA LEU 44 HA LEU 44 -3.798 0.159 1.214 259 HB2 LEU 44 HB2 LEU 44 -5.727 -0.479 3.455 260 HB3 LEU 44 HB1 LEU 44 -6.113 0.061 1.834 261 HG LEU 44 HG LEU 44 -5.509 -2.660 2.833 262 HD11 LEU 44 HD11 LEU 44 -7.198 -3.223 1.089 263 HD12 LEU 44 HD12 LEU 44 -7.379 -1.482 0.806 264 HD13 LEU 44 HD13 LEU 44 -7.767 -2.161 2.386 265 HD21 LEU 44 HD21 LEU 44 -3.855 -2.837 1.327 266 HD22 LEU 44 HD22 LEU 44 -4.525 -1.601 0.261 267 HD23 LEU 44 HD23 LEU 44 -5.229 -3.219 0.289 268 H MET 45 HN MET 45 -3.369 0.221 4.691 269 HA MET 45 HA MET 45 -3.935 2.981 5.071 270 HB2 MET 45 HB2 MET 45 -2.041 1.212 6.625 271 HB3 MET 45 HB1 MET 45 -2.606 2.795 7.136 272 HG2 MET 45 HG2 MET 45 -4.896 1.944 7.190 273 HG3 MET 45 HG1 MET 45 -4.299 0.351 6.722 274 HE1 MET 45 HE1 MET 45 -3.527 2.442 10.753 275 HE2 MET 45 HE2 MET 45 -4.609 3.032 9.494 276 HE3 MET 45 HE3 MET 45 -2.864 3.065 9.243 277 H LEU 46 HN LEU 46 -0.819 1.300 4.830 278 HA LEU 46 HA LEU 46 0.928 3.384 4.773 279 HB2 LEU 46 HB2 LEU 46 1.101 0.977 2.963 280 HB3 LEU 46 HB1 LEU 46 2.436 2.004 3.445 281 HG LEU 46 HG LEU 46 0.890 0.069 5.152 282 HD11 LEU 46 HD11 LEU 46 2.993 -1.001 5.460 283 HD12 LEU 46 HD12 LEU 46 3.832 0.288 4.600 284 HD13 LEU 46 HD13 LEU 46 2.731 -0.778 3.729 285 HD21 LEU 46 HD21 LEU 46 1.315 2.277 6.304 286 HD22 LEU 46 HD22 LEU 46 3.041 1.940 6.112 287 HD23 LEU 46 HD23 LEU 46 2.030 0.854 7.070 288 H ARG 47 HN ARG 47 -0.710 2.060 1.914 289 HA ARG 47 HA ARG 47 0.355 4.035 0.155 290 HB2 ARG 47 HB2 ARG 47 -1.664 3.277 -1.303 291 HB3 ARG 47 HB1 ARG 47 -0.327 2.173 -1.011 292 HG2 ARG 47 HG2 ARG 47 -1.578 0.803 0.306 293 HG3 ARG 47 HG1 ARG 47 -2.649 2.108 0.828 294 HD2 ARG 47 HD2 ARG 47 -3.322 0.231 -0.978 295 HD3 ARG 47 HD1 ARG 47 -4.035 1.848 -0.890 296 HE ARG 47 HE ARG 47 -1.759 1.187 -2.663 297 HH11 ARG 47 HH11 ARG 47 -4.910 2.608 -2.129 298 HH12 ARG 47 HH12 ARG 47 -4.929 3.448 -3.647 299 HH21 ARG 47 HH21 ARG 47 -1.760 2.282 -4.634 300 HH22 ARG 47 HH22 ARG 47 -3.148 3.230 -5.097 301 H HIS 48 HN HIS 48 -2.781 3.612 1.699 302 HA HIS 48 HA HIS 48 -4.181 5.767 0.868 303 HB2 HIS 48 HB2 HIS 48 -4.120 4.171 3.299 304 HB3 HIS 48 HB1 HIS 48 -4.726 5.805 3.577 305 HD1 HIS 48 HD1 HIS 48 -6.951 4.233 4.101 306 HD2 HIS 48 HD2 HIS 48 -5.758 4.681 0.155 307 HE1 HIS 48 HE1 HIS 48 -8.917 3.498 2.720 308 HE2 HIS 48 HE2 HIS 48 -8.079 3.551 0.347 309 H ARG 49 HN ARG 49 -2.033 5.889 3.732 310 HA ARG 49 HA ARG 49 -2.459 8.585 4.266 311 HB2 ARG 49 HB2 ARG 49 0.118 7.106 4.724 312 HB3 ARG 49 HB1 ARG 49 -0.472 8.517 5.603 313 HG2 ARG 49 HG2 ARG 49 -2.460 7.057 6.256 314 HG3 ARG 49 HG1 ARG 49 -1.492 5.695 5.681 315 HD2 ARG 49 HD2 ARG 49 0.306 6.973 7.189 316 HD3 ARG 49 HD1 ARG 49 -1.165 7.392 8.054 317 HE ARG 49 HE ARG 49 -0.615 4.578 7.428 318 HH11 ARG 49 HH11 ARG 49 -1.094 7.113 9.793 319 HH12 ARG 49 HH12 ARG 49 -1.062 6.034 11.149 320 HH21 ARG 49 HH21 ARG 49 -0.566 3.145 9.219 321 HH22 ARG 49 HH22 ARG 49 -0.738 3.782 10.823 322 H ALA 50 HN ALA 50 0.250 7.142 2.551 323 HA ALA 50 HA ALA 50 1.530 9.360 1.544 324 HB1 ALA 50 HB1 ALA 50 2.369 7.070 1.286 325 HB2 ALA 50 HB2 ALA 50 2.388 7.947 -0.245 326 HB3 ALA 50 HB3 ALA 50 1.127 6.756 0.074 327 H ALA 51 HN ALA 51 -0.974 7.522 -0.193 328 HA ALA 51 HA ALA 51 -1.340 9.159 -2.379 329 HB1 ALA 51 HB1 ALA 51 -3.591 8.091 -2.498 330 HB2 ALA 51 HB2 ALA 51 -3.282 7.380 -0.914 331 HB3 ALA 51 HB3 ALA 51 -2.260 6.951 -2.289 332 H LEU 52 HN LEU 52 -2.760 9.405 0.842 333 HA LEU 52 HA LEU 52 -4.679 11.378 -0.108 334 HB2 LEU 52 HB2 LEU 52 -4.383 10.443 2.734 335 HB3 LEU 52 HB1 LEU 52 -5.804 11.098 1.937 336 HG LEU 52 HG LEU 52 -4.572 8.429 1.286 337 HD11 LEU 52 HD11 LEU 52 -5.510 8.462 3.537 338 HD12 LEU 52 HD12 LEU 52 -6.419 7.419 2.438 339 HD13 LEU 52 HD13 LEU 52 -7.054 9.009 2.876 340 HD21 LEU 52 HD21 LEU 52 -7.142 9.710 0.409 341 HD22 LEU 52 HD22 LEU 52 -6.661 8.040 0.075 342 HD23 LEU 52 HD23 LEU 52 -5.726 9.382 -0.592 343 H GLY 53 HN GLY 53 -2.784 11.398 2.937 344 HA2 GLY 53 HA2 GLY 53 -1.003 13.401 2.214 345 HA3 GLY 53 HA1 GLY 53 -2.429 14.202 2.847 346 H ALA 54 HN ALA 54 -1.133 11.104 4.002 347 HA ALA 54 HA ALA 54 -0.353 12.478 6.479 348 HB1 ALA 54 HB1 ALA 54 -2.287 11.228 7.000 349 HB2 ALA 54 HB2 ALA 54 -0.922 10.299 7.617 350 HB3 ALA 54 HB3 ALA 54 -1.707 9.824 6.111 351 H ASP 55 HN ASP 55 1.590 11.923 7.388 352 HA ASP 55 HA ASP 55 3.304 10.242 5.691 353 HB2 ASP 55 HB2 ASP 55 3.859 12.898 6.982 354 HB3 ASP 55 HB1 ASP 55 5.171 11.807 6.560 355 H ASP 56 HN ASP 56 2.001 9.065 7.782 356 HA ASP 56 HA ASP 56 3.705 8.805 10.050 357 HB2 ASP 56 HB2 ASP 56 1.347 8.028 10.059 358 HB3 ASP 56 HB1 ASP 56 1.788 6.761 8.917 359 H ASN 57 HN ASN 57 5.537 7.620 10.308 360 HA ASN 57 HA ASN 57 7.146 7.232 8.207 361 HB2 ASN 57 HB2 ASN 57 8.574 5.842 9.620 362 HB3 ASN 57 HB1 ASN 57 8.060 7.331 10.393 363 HD21 ASN 57 HD21 ASN 57 7.995 3.897 10.480 364 HD22 ASN 57 HD22 ASN 57 7.147 3.744 11.975 365 H ASP 58 HN ASP 58 5.009 4.660 9.425 366 HA ASP 58 HA ASP 58 6.270 2.575 7.953 367 HB2 ASP 58 HB2 ASP 58 3.593 2.924 9.223 368 HB3 ASP 58 HB1 ASP 58 3.778 1.642 8.031 369 H ALA 59 HN ALA 59 3.661 4.718 7.310 370 HA ALA 59 HA ALA 59 3.098 3.929 4.660 371 HB1 ALA 59 HB1 ALA 59 1.931 6.047 4.434 372 HB2 ALA 59 HB2 ALA 59 2.673 6.622 5.926 373 HB3 ALA 59 HB3 ALA 59 1.547 5.256 5.966 374 H VAL 60 HN VAL 60 5.472 6.218 5.968 375 HA VAL 60 HA VAL 60 6.006 7.307 3.373 376 HB VAL 60 HB VAL 60 7.651 8.671 4.309 377 HG11 VAL 60 HG11 VAL 60 5.605 8.183 6.456 378 HG12 VAL 60 HG12 VAL 60 5.453 9.273 5.077 379 HG13 VAL 60 HG13 VAL 60 6.638 9.609 6.340 380 HG21 VAL 60 HG21 VAL 60 8.585 8.303 6.606 381 HG22 VAL 60 HG22 VAL 60 9.099 7.162 5.364 382 HG23 VAL 60 HG23 VAL 60 7.876 6.687 6.540 383 H LYS 61 HN LYS 61 7.544 4.893 5.474 384 HA LYS 61 HA LYS 61 9.710 4.349 3.728 385 HB2 LYS 61 HB2 LYS 61 8.378 2.673 5.855 386 HB3 LYS 61 HB1 LYS 61 9.930 2.306 5.108 387 HG2 LYS 61 HG2 LYS 61 11.006 4.053 6.164 388 HG3 LYS 61 HG1 LYS 61 9.509 4.962 6.398 389 HD2 LYS 61 HD2 LYS 61 10.580 3.873 8.460 390 HD3 LYS 61 HD1 LYS 61 8.849 3.631 8.208 391 HE2 LYS 61 HE2 LYS 61 9.793 1.533 8.819 392 HE3 LYS 61 HE1 LYS 61 9.386 1.479 7.103 393 HZ1 LYS 61 HZ1 LYS 61 11.707 1.875 6.571 394 HZ2 LYS 61 HZ2 LYS 61 11.562 0.499 7.544 395 HZ3 LYS 61 HZ3 LYS 61 12.103 1.957 8.212 396 H PHE 62 HN PHE 62 6.393 3.339 3.859 397 HA PHE 62 HA PHE 62 6.540 1.275 1.926 398 HB2 PHE 62 HB2 PHE 62 4.542 1.561 3.288 399 HB3 PHE 62 HB1 PHE 62 4.296 3.179 2.642 400 HD1 PHE 62 HD2 PHE 62 4.204 -0.403 1.860 401 HD2 PHE 62 HD1 PHE 62 3.226 3.520 0.540 402 HE1 PHE 62 HE2 PHE 62 2.829 -1.353 0.059 403 HE2 PHE 62 HE1 PHE 62 1.849 2.578 -1.259 404 HZ PHE 62 HZ PHE 62 1.648 0.138 -1.503 405 H ARG 63 HN ARG 63 5.646 4.692 1.715 406 HA ARG 63 HA ARG 63 5.444 4.998 -1.003 407 HB2 ARG 63 HB2 ARG 63 4.783 6.748 0.435 408 HB3 ARG 63 HB1 ARG 63 6.344 6.818 1.214 409 HG2 ARG 63 HG2 ARG 63 6.122 7.524 -1.674 410 HG3 ARG 63 HG1 ARG 63 5.602 8.677 -0.444 411 HD2 ARG 63 HD2 ARG 63 7.922 8.152 0.636 412 HD3 ARG 63 HD1 ARG 63 8.327 7.571 -0.976 413 HE ARG 63 HE ARG 63 7.249 10.051 -1.365 414 HH11 ARG 63 HH11 ARG 63 9.945 8.741 0.431 415 HH12 ARG 63 HH12 ARG 63 10.903 10.177 0.289 416 HH21 ARG 63 HH21 ARG 63 8.503 11.944 -1.573 417 HH22 ARG 63 HH22 ARG 63 10.082 12.006 -0.853 418 H SER 64 HN SER 64 8.328 5.828 0.885 419 HA SER 64 HA SER 64 10.078 6.370 -1.079 420 HB2 SER 64 HB2 SER 64 10.694 4.902 1.483 421 HB3 SER 64 HB1 SER 64 11.882 5.745 0.484 422 HG SER 64 HG SER 64 10.393 6.771 2.385 423 H TRP 65 HN TRP 65 9.259 3.088 -0.024 424 HA TRP 65 HA TRP 65 11.162 1.909 -1.839 425 HB2 TRP 65 HB2 TRP 65 10.914 0.566 0.003 426 HB3 TRP 65 HB1 TRP 65 9.193 0.889 0.140 427 HD1 TRP 65 HD1 TRP 65 11.639 -1.355 -1.836 428 HE1 TRP 65 HE1 TRP 65 10.315 -3.416 -2.670 429 HE3 TRP 65 HE3 TRP 65 7.012 0.119 -0.466 430 HZ2 TRP 65 HZ2 TRP 65 7.614 -4.247 -2.766 431 HZ3 TRP 65 HZ3 TRP 65 5.090 -1.342 -0.951 432 HH2 TRP 65 HH2 TRP 65 5.386 -3.494 -2.066 433 H TRP 66 HN TRP 66 7.641 2.137 -1.663 434 HA TRP 66 HA TRP 66 7.181 0.509 -3.940 435 HB2 TRP 66 HB2 TRP 66 5.637 0.949 -1.969 436 HB3 TRP 66 HB1 TRP 66 5.283 2.506 -2.701 437 HD1 TRP 66 HD1 TRP 66 2.938 2.331 -3.622 438 HE1 TRP 66 HE1 TRP 66 1.602 0.666 -5.041 439 HE3 TRP 66 HE3 TRP 66 6.422 -1.372 -3.967 440 HZ2 TRP 66 HZ2 TRP 66 1.986 -1.846 -6.163 441 HZ3 TRP 66 HZ3 TRP 66 5.853 -3.394 -5.237 442 HH2 TRP 66 HH2 TRP 66 3.681 -3.632 -6.319 443 H ASN 67 HN ASN 67 7.818 3.883 -3.518 444 HA ASN 67 HA ASN 67 6.743 4.554 -6.145 445 HB2 ASN 67 HB2 ASN 67 7.703 6.156 -3.822 446 HB3 ASN 67 HB1 ASN 67 7.539 6.899 -5.410 447 HD21 ASN 67 HD21 ASN 67 5.868 5.325 -2.806 448 HD22 ASN 67 HD22 ASN 67 4.289 5.863 -3.238 449 H SER 68 HN SER 68 9.516 3.285 -5.091 450 HA SER 68 HA SER 68 11.205 4.823 -6.908 451 HB2 SER 68 HB2 SER 68 11.895 2.576 -5.000 452 HB3 SER 68 HB1 SER 68 13.051 3.384 -6.057 453 HG SER 68 HG SER 68 11.715 4.374 -3.784 454 H ARG 69 HN ARG 69 9.203 2.186 -6.784 455 HA ARG 69 HA ARG 69 10.557 0.817 -8.987 456 HB2 ARG 69 HB2 ARG 69 8.925 -1.095 -7.972 457 HB3 ARG 69 HB1 ARG 69 10.610 -0.891 -7.530 458 HG2 ARG 69 HG2 ARG 69 10.108 0.063 -5.497 459 HG3 ARG 69 HG1 ARG 69 8.485 0.529 -5.991 460 HD2 ARG 69 HD2 ARG 69 8.496 -1.357 -4.405 461 HD3 ARG 69 HD1 ARG 69 7.772 -1.773 -5.958 462 HE ARG 69 HE ARG 69 10.590 -2.432 -5.486 463 HH11 ARG 69 HH11 ARG 69 7.289 -3.431 -6.013 464 HH12 ARG 69 HH12 ARG 69 7.676 -5.103 -6.271 465 HH21 ARG 69 HH21 ARG 69 11.134 -4.635 -5.828 466 HH22 ARG 69 HH22 ARG 69 9.880 -5.784 -6.167 467 H THR 70 HN THR 70 7.388 0.797 -7.485 468 HA THR 70 HA THR 70 6.006 0.529 -10.003 469 HB THR 70 HB THR 70 4.934 0.887 -7.220 470 HG1 THR 70 HG1 THR 70 5.390 -1.572 -8.602 471 HG21 THR 70 HG21 THR 70 3.693 -0.228 -9.729 472 HG22 THR 70 HG22 THR 70 3.224 1.232 -8.848 473 HG23 THR 70 HG23 THR 70 2.980 -0.356 -8.120 474 H LYS 71 HN LYS 71 5.882 2.725 -7.254 475 HA LYS 71 HA LYS 71 5.212 4.871 -6.988 476 HB2 LYS 71 HB2 LYS 71 5.058 5.056 -9.967 477 HB3 LYS 71 HB1 LYS 71 5.075 6.375 -8.817 478 HG2 LYS 71 HG2 LYS 71 7.341 5.437 -8.070 479 HG3 LYS 71 HG1 LYS 71 7.306 4.549 -9.589 480 HD2 LYS 71 HD2 LYS 71 8.578 6.611 -9.795 481 HD3 LYS 71 HD1 LYS 71 7.138 6.656 -10.818 482 HE2 LYS 71 HE2 LYS 71 6.010 8.099 -9.305 483 HE3 LYS 71 HE1 LYS 71 7.231 7.852 -8.059 484 HZ1 LYS 71 HZ1 LYS 71 8.830 9.012 -9.448 485 HZ2 LYS 71 HZ2 LYS 71 7.488 9.991 -9.141 486 HZ3 LYS 71 HZ3 LYS 71 7.660 9.245 -10.647 487 H MET 72 HN MET 72 3.631 2.444 -7.548 488 HA MET 72 HA MET 72 1.513 1.741 -7.355 489 HB2 MET 72 HB2 MET 72 0.208 3.096 -5.680 490 HB3 MET 72 HB1 MET 72 1.795 2.549 -5.194 491 HG2 MET 72 HG2 MET 72 1.913 4.643 -4.453 492 HG3 MET 72 HG1 MET 72 2.470 4.930 -6.095 493 HE1 MET 72 HE1 MET 72 1.947 7.516 -5.696 494 HE2 MET 72 HE2 MET 72 1.320 7.176 -4.082 495 HE3 MET 72 HE3 MET 72 0.365 8.131 -5.217 496 H ALA 73 HN ALA 73 -0.824 3.018 -6.877 497 HA ALA 73 HA ALA 73 -1.596 4.703 -9.015 498 HB1 ALA 73 HB1 ALA 73 -2.571 1.853 -8.928 499 HB2 ALA 73 HB2 ALA 73 -1.585 2.577 -10.197 500 HB3 ALA 73 HB3 ALA 73 -3.241 3.126 -9.947 501 H ASN 74 HN ASN 74 -2.123 5.946 -7.280 502 HA ASN 74 HA ASN 74 -3.106 5.675 -4.889 503 HB2 ASN 74 HB2 ASN 74 -4.255 7.564 -6.958 504 HB3 ASN 74 HB1 ASN 74 -4.529 7.718 -5.227 505 HD21 ASN 74 HD21 ASN 74 -2.945 8.497 -3.939 506 HD22 ASN 74 HD22 ASN 74 -1.438 9.115 -4.509 507 H ASP 75 HN ASP 75 -5.490 5.708 -7.572 508 HA ASP 75 HA ASP 75 -6.827 3.463 -6.379 509 HB2 ASP 75 HB2 ASP 75 -9.048 4.609 -6.219 510 HB3 ASP 75 HB1 ASP 75 -7.873 5.161 -5.033 511 H TYR 76 HN TYR 76 -5.504 4.079 -8.845 512 HA TYR 76 HA TYR 76 -7.658 4.312 -10.801 513 HB2 TYR 76 HB2 TYR 76 -4.664 4.312 -11.114 514 HB3 TYR 76 HB1 TYR 76 -5.817 4.504 -12.431 515 HD1 TYR 76 HD1 TYR 76 -7.389 6.517 -12.358 516 HD2 TYR 76 HD2 TYR 76 -3.970 6.153 -9.859 517 HE1 TYR 76 HE1 TYR 76 -7.433 8.930 -11.957 518 HE2 TYR 76 HE2 TYR 76 -4.007 8.565 -9.444 519 HH TYR 76 HH TYR 76 -6.660 10.540 -10.305 Start of MODEL 5 1 H1 GLY 10 HT1 GLY 10 -12.459 6.224 -4.017 2 H2 GLY 10 HT2 GLY 10 -11.018 5.570 -4.625 3 H3 GLY 10 HT3 GLY 10 -11.142 7.233 -4.335 4 HA2 GLY 10 HA1 GLY 10 -9.857 6.072 -2.613 5 HA3 GLY 10 HA2 GLY 10 -11.271 6.917 -1.994 6 H THR 11 HN THR 11 -9.712 4.445 -1.108 7 HA THR 11 HA THR 11 -11.964 2.578 -1.048 8 HB THR 11 HB THR 11 -9.503 1.445 -0.084 9 HG1 THR 11 HG1 THR 11 -9.442 2.688 -2.656 10 HG21 THR 11 HG21 THR 11 -10.091 -0.333 -1.440 11 HG22 THR 11 HG22 THR 11 -10.834 0.701 -2.655 12 HG23 THR 11 HG23 THR 11 -11.653 0.416 -1.115 13 H TYR 12 HN TYR 12 -10.671 1.093 1.023 14 HA TYR 12 HA TYR 12 -11.154 2.779 3.377 15 HB2 TYR 12 HB2 TYR 12 -12.195 -0.014 3.175 16 HB3 TYR 12 HB1 TYR 12 -12.673 1.262 4.287 17 HD1 TYR 12 HD1 TYR 12 -13.007 -0.027 0.891 18 HD2 TYR 12 HD2 TYR 12 -14.249 2.923 3.660 19 HE1 TYR 12 HE1 TYR 12 -14.888 0.555 -0.588 20 HE2 TYR 12 HE2 TYR 12 -16.122 3.519 2.231 21 HH TYR 12 HH TYR 12 -17.138 1.602 -0.372 22 H ARG 13 HN ARG 13 -10.977 0.589 5.183 23 HA ARG 13 HA ARG 13 -8.870 -1.193 4.533 24 HB2 ARG 13 HB2 ARG 13 -7.518 0.813 4.854 25 HB3 ARG 13 HB1 ARG 13 -8.237 1.048 6.431 26 HG2 ARG 13 HG2 ARG 13 -6.950 -1.561 6.034 27 HG3 ARG 13 HG1 ARG 13 -5.869 -0.170 5.991 28 HD2 ARG 13 HD2 ARG 13 -7.700 -1.024 8.217 29 HD3 ARG 13 HD1 ARG 13 -5.931 -0.955 8.224 30 HE ARG 13 HE ARG 13 -6.915 1.612 7.689 31 HH11 ARG 13 HH11 ARG 13 -6.760 -0.697 10.307 32 HH12 ARG 13 HH12 ARG 13 -6.848 0.511 11.549 33 HH21 ARG 13 HH21 ARG 13 -7.020 3.210 9.311 34 HH22 ARG 13 HH22 ARG 13 -7.004 2.739 10.980 35 H GLY 14 HN GLY 14 -9.555 -2.969 5.518 36 HA2 GLY 14 HA2 GLY 14 -9.765 -4.112 7.659 37 HA3 GLY 14 HA1 GLY 14 -10.596 -2.685 8.250 38 H ARG 15 HN ARG 15 -12.319 -2.226 6.181 39 HA ARG 15 HA ARG 15 -14.368 -4.034 6.999 40 HB2 ARG 15 HB2 ARG 15 -15.806 -2.474 5.558 41 HB3 ARG 15 HB1 ARG 15 -15.019 -1.778 6.966 42 HG2 ARG 15 HG2 ARG 15 -14.500 -0.184 5.465 43 HG3 ARG 15 HG1 ARG 15 -13.126 -1.262 5.197 44 HD2 ARG 15 HD2 ARG 15 -13.977 -0.643 3.060 45 HD3 ARG 15 HD1 ARG 15 -14.454 -2.329 3.351 46 HE ARG 15 HE ARG 15 -16.367 -0.203 4.002 47 HH11 ARG 15 HH11 ARG 15 -15.467 -2.883 1.925 48 HH12 ARG 15 HH12 ARG 15 -17.019 -2.968 1.158 49 HH21 ARG 15 HH21 ARG 15 -18.403 -0.328 3.008 50 HH22 ARG 15 HH22 ARG 15 -18.691 -1.517 1.779 51 H GLY 16 HN GLY 16 -12.850 -5.712 5.694 52 HA2 GLY 16 HA2 GLY 16 -12.935 -7.304 4.022 53 HA3 GLY 16 HA1 GLY 16 -14.517 -6.657 3.604 54 H VAL 17 HN VAL 17 -11.646 -4.739 3.688 55 HA VAL 17 HA VAL 17 -12.119 -3.515 1.260 56 HB VAL 17 HB VAL 17 -9.555 -2.972 1.311 57 HG11 VAL 17 HG11 VAL 17 -11.519 -2.061 3.409 58 HG12 VAL 17 HG12 VAL 17 -11.419 -1.471 1.746 59 HG13 VAL 17 HG13 VAL 17 -10.082 -1.184 2.875 60 HG21 VAL 17 HG21 VAL 17 -10.078 -4.242 3.997 61 HG22 VAL 17 HG22 VAL 17 -8.804 -3.054 3.739 62 HG23 VAL 17 HG23 VAL 17 -8.777 -4.583 2.851 63 H ALA 18 HN ALA 18 -11.772 -3.830 -0.700 64 HA ALA 18 HA ALA 18 -10.217 -6.163 -1.558 65 HB1 ALA 18 HB1 ALA 18 -12.549 -6.141 -2.311 66 HB2 ALA 18 HB2 ALA 18 -11.435 -6.004 -3.673 67 HB3 ALA 18 HB3 ALA 18 -12.286 -4.576 -3.081 68 H LEU 19 HN LEU 19 -10.226 -2.789 -1.345 69 HA LEU 19 HA LEU 19 -8.712 -1.194 -1.937 70 HB2 LEU 19 HB2 LEU 19 -7.268 -2.952 -1.030 71 HB3 LEU 19 HB1 LEU 19 -7.104 -3.619 -2.608 72 HG LEU 19 HG LEU 19 -5.190 -2.316 -1.637 73 HD11 LEU 19 HD11 LEU 19 -4.596 -2.543 -3.722 74 HD12 LEU 19 HD12 LEU 19 -5.253 -0.925 -3.993 75 HD13 LEU 19 HD13 LEU 19 -6.249 -2.345 -4.290 76 HD21 LEU 19 HD21 LEU 19 -6.954 -0.002 -2.338 77 HD22 LEU 19 HD22 LEU 19 -5.241 0.090 -1.918 78 HD23 LEU 19 HD23 LEU 19 -6.413 -0.468 -0.727 79 H THR 20 HN THR 20 -7.382 -0.426 -4.100 80 HA THR 20 HA THR 20 -9.041 -0.861 -6.335 81 HB THR 20 HB THR 20 -7.864 1.219 -6.282 82 HG1 THR 20 HG1 THR 20 -7.020 1.223 -8.351 83 HG21 THR 20 HG21 THR 20 -5.425 1.414 -6.398 84 HG22 THR 20 HG22 THR 20 -5.280 -0.344 -6.288 85 HG23 THR 20 HG23 THR 20 -5.936 0.574 -4.934 86 H ASP 21 HN ASP 21 -7.644 -1.544 -8.503 87 HA ASP 21 HA ASP 21 -7.569 -4.363 -8.151 88 HB2 ASP 21 HB2 ASP 21 -8.308 -3.268 -10.253 89 HB3 ASP 21 HB1 ASP 21 -6.639 -2.797 -10.565 90 H ASP 22 HN ASP 22 -4.966 -2.066 -8.950 91 HA ASP 22 HA ASP 22 -3.039 -4.135 -9.238 92 HB2 ASP 22 HB2 ASP 22 -2.717 -1.148 -8.983 93 HB3 ASP 22 HB1 ASP 22 -1.387 -2.251 -9.314 94 H GLU 23 HN GLU 23 -3.166 -1.512 -6.844 95 HA GLU 23 HA GLU 23 -1.034 -2.194 -5.329 96 HB2 GLU 23 HB2 GLU 23 -3.559 -1.136 -4.101 97 HB3 GLU 23 HB1 GLU 23 -1.916 -0.978 -3.498 98 HG2 GLU 23 HG2 GLU 23 -3.124 0.351 -5.888 99 HG3 GLU 23 HG1 GLU 23 -2.374 1.065 -4.467 100 H TYR 24 HN TYR 24 -4.207 -3.748 -5.086 101 HA TYR 24 HA TYR 24 -3.704 -5.042 -2.627 102 HB2 TYR 24 HB2 TYR 24 -5.940 -4.687 -3.715 103 HB3 TYR 24 HB1 TYR 24 -5.529 -5.958 -4.864 104 HD1 TYR 24 HD2 TYR 24 -5.158 -8.294 -4.004 105 HD2 TYR 24 HD1 TYR 24 -6.863 -5.235 -1.548 106 HE1 TYR 24 HE2 TYR 24 -6.086 -10.010 -2.514 107 HE2 TYR 24 HE1 TYR 24 -7.797 -6.957 -0.076 108 HH TYR 24 HH TYR 24 -6.876 -10.233 -0.213 109 H ASP 25 HN ASP 25 -3.706 -6.413 -5.905 110 HA ASP 25 HA ASP 25 -2.253 -8.724 -5.467 111 HB2 ASP 25 HB2 ASP 25 -2.273 -6.850 -7.827 112 HB3 ASP 25 HB1 ASP 25 -1.270 -8.297 -7.826 113 H GLU 26 HN GLU 26 -1.010 -5.469 -5.977 114 HA GLU 26 HA GLU 26 1.725 -6.224 -5.923 115 HB2 GLU 26 HB2 GLU 26 0.391 -3.553 -5.537 116 HB3 GLU 26 HB1 GLU 26 2.121 -3.786 -5.723 117 HG2 GLU 26 HG2 GLU 26 0.028 -4.512 -7.760 118 HG3 GLU 26 HG1 GLU 26 1.056 -3.082 -7.807 119 H TRP 27 HN TRP 27 -0.585 -5.600 -3.436 120 HA TRP 27 HA TRP 27 1.182 -5.055 -1.303 121 HB2 TRP 27 HB2 TRP 27 -0.940 -4.673 -0.585 122 HB3 TRP 27 HB1 TRP 27 -1.623 -5.930 -1.605 123 HD1 TRP 27 HD1 TRP 27 0.289 -5.654 1.799 124 HE1 TRP 27 HE1 TRP 27 -0.573 -7.553 3.300 125 HE3 TRP 27 HE3 TRP 27 -2.747 -8.065 -1.549 126 HZ2 TRP 27 HZ2 TRP 27 -2.311 -9.738 3.104 127 HZ3 TRP 27 HZ3 TRP 27 -3.965 -10.068 -0.802 128 HH2 TRP 27 HH2 TRP 27 -3.739 -10.897 1.482 129 H ARG 28 HN ARG 28 0.006 -8.009 -2.764 130 HA ARG 28 HA ARG 28 1.119 -9.821 -0.942 131 HB2 ARG 28 HB2 ARG 28 0.783 -10.235 -3.921 132 HB3 ARG 28 HB1 ARG 28 0.860 -11.482 -2.681 133 HG2 ARG 28 HG2 ARG 28 -1.238 -10.364 -1.714 134 HG3 ARG 28 HG1 ARG 28 -1.346 -9.548 -3.272 135 HD2 ARG 28 HD2 ARG 28 -1.361 -12.519 -2.776 136 HD3 ARG 28 HD1 ARG 28 -2.714 -11.527 -3.315 137 HE ARG 28 HE ARG 28 -0.590 -11.258 -5.143 138 HH11 ARG 28 HH11 ARG 28 -2.949 -13.604 -4.070 139 HH12 ARG 28 HH12 ARG 28 -2.970 -14.469 -5.571 140 HH21 ARG 28 HH21 ARG 28 -0.596 -12.409 -7.125 141 HH22 ARG 28 HH22 ARG 28 -1.633 -13.787 -7.312 142 H GLU 29 HN GLU 29 2.447 -8.071 -3.679 143 HA GLU 29 HA GLU 29 5.036 -9.302 -3.464 144 HB2 GLU 29 HB2 GLU 29 4.211 -8.288 -5.576 145 HB3 GLU 29 HB1 GLU 29 4.314 -6.701 -4.820 146 HG2 GLU 29 HG2 GLU 29 6.650 -6.776 -4.709 147 HG3 GLU 29 HG1 GLU 29 6.692 -8.516 -4.995 148 H HIS 30 HN HIS 30 3.640 -6.219 -2.363 149 HA HIS 30 HA HIS 30 5.783 -5.094 -1.062 150 HB2 HIS 30 HB2 HIS 30 3.640 -3.967 -1.070 151 HB3 HIS 30 HB1 HIS 30 2.910 -5.252 -0.115 152 HD1 HIS 30 HD1 HIS 30 2.245 -3.935 1.927 153 HD2 HIS 30 HD2 HIS 30 6.232 -3.358 0.913 154 HE1 HIS 30 HE1 HIS 30 3.229 -2.576 3.811 155 HE2 HIS 30 HE2 HIS 30 5.642 -2.231 3.167 156 H ASN 31 HN ASN 31 3.731 -7.715 0.093 157 HA ASN 31 HA ASN 31 4.859 -8.127 2.600 158 HB2 ASN 31 HB2 ASN 31 2.821 -9.259 1.787 159 HB3 ASN 31 HB1 ASN 31 3.799 -10.205 0.672 160 HD21 ASN 31 HD21 ASN 31 4.971 -11.932 1.428 161 HD22 ASN 31 HD22 ASN 31 4.819 -12.534 3.042 162 H ALA 32 HN ALA 32 5.715 -9.482 -0.524 163 HA ALA 32 HA ALA 32 7.899 -11.037 0.365 164 HB1 ALA 32 HB1 ALA 32 8.372 -11.389 -1.935 165 HB2 ALA 32 HB2 ALA 32 7.447 -9.961 -2.398 166 HB3 ALA 32 HB3 ALA 32 6.621 -11.374 -1.736 167 H SER 33 HN SER 33 7.912 -8.036 -1.571 168 HA SER 33 HA SER 33 10.658 -7.756 -1.713 169 HB2 SER 33 HB2 SER 33 9.071 -6.532 -3.136 170 HB3 SER 33 HB1 SER 33 8.583 -5.559 -1.759 171 HG SER 33 HG SER 33 11.182 -5.687 -2.901 172 H ARG 34 HN ARG 34 8.466 -6.337 0.716 173 HA ARG 34 HA ARG 34 10.704 -5.030 2.004 174 HB2 ARG 34 HB2 ARG 34 7.762 -5.055 2.534 175 HB3 ARG 34 HB1 ARG 34 8.894 -4.395 3.707 176 HG2 ARG 34 HG2 ARG 34 8.527 -3.466 0.863 177 HG3 ARG 34 HG1 ARG 34 7.988 -2.631 2.323 178 HD2 ARG 34 HD2 ARG 34 10.824 -3.157 1.443 179 HD3 ARG 34 HD1 ARG 34 10.011 -1.600 1.568 180 HE ARG 34 HE ARG 34 9.854 -2.412 4.084 181 HH11 ARG 34 HH11 ARG 34 12.578 -2.534 1.880 182 HH12 ARG 34 HH12 ARG 34 13.763 -2.368 3.138 183 HH21 ARG 34 HH21 ARG 34 11.409 -2.219 5.738 184 HH22 ARG 34 HH22 ARG 34 13.096 -2.224 5.338 185 H LYS 35 HN LYS 35 9.503 -8.079 2.009 186 HA LYS 35 HA LYS 35 10.004 -9.919 3.198 187 HB2 LYS 35 HB2 LYS 35 12.124 -8.116 4.315 188 HB3 LYS 35 HB1 LYS 35 12.040 -9.840 4.642 189 HG2 LYS 35 HG2 LYS 35 12.249 -8.638 1.900 190 HG3 LYS 35 HG1 LYS 35 13.622 -9.238 2.834 191 HD2 LYS 35 HD2 LYS 35 12.572 -11.465 2.887 192 HD3 LYS 35 HD1 LYS 35 11.239 -10.846 1.912 193 HE2 LYS 35 HE2 LYS 35 12.834 -12.032 0.516 194 HE3 LYS 35 HE1 LYS 35 12.813 -10.316 0.110 195 HZ1 LYS 35 HZ1 LYS 35 14.827 -11.645 1.840 196 HZ2 LYS 35 HZ2 LYS 35 14.816 -10.013 1.408 197 HZ3 LYS 35 HZ3 LYS 35 15.066 -11.196 0.229 198 H LEU 36 HN LEU 36 7.982 -8.133 4.206 199 HA LEU 36 HA LEU 36 8.181 -8.587 7.088 200 HB2 LEU 36 HB2 LEU 36 6.133 -6.900 6.944 201 HB3 LEU 36 HB1 LEU 36 7.796 -6.337 6.972 202 HG LEU 36 HG LEU 36 7.700 -6.215 4.459 203 HD11 LEU 36 HD11 LEU 36 5.823 -7.780 4.182 204 HD12 LEU 36 HD12 LEU 36 5.549 -6.233 3.379 205 HD13 LEU 36 HD13 LEU 36 4.756 -6.585 4.913 206 HD21 LEU 36 HD21 LEU 36 5.622 -4.550 5.859 207 HD22 LEU 36 HD22 LEU 36 6.559 -4.127 4.418 208 HD23 LEU 36 HD23 LEU 36 7.363 -4.276 5.979 209 H ASP 37 HN ASP 37 5.581 -8.403 7.763 210 HA ASP 37 HA ASP 37 4.110 -10.394 6.223 211 HB2 ASP 37 HB2 ASP 37 5.324 -11.674 7.958 212 HB3 ASP 37 HB1 ASP 37 4.626 -10.642 9.200 213 H LEU 38 HN LEU 38 2.418 -9.168 5.705 214 HA LEU 38 HA LEU 38 0.977 -7.861 7.886 215 HB2 LEU 38 HB2 LEU 38 0.814 -5.795 6.851 216 HB3 LEU 38 HB1 LEU 38 2.451 -6.247 6.544 217 HG LEU 38 HG LEU 38 0.239 -6.425 4.609 218 HD11 LEU 38 HD11 LEU 38 1.446 -4.611 3.481 219 HD12 LEU 38 HD12 LEU 38 2.597 -4.583 4.822 220 HD13 LEU 38 HD13 LEU 38 0.902 -4.154 5.097 221 HD21 LEU 38 HD21 LEU 38 3.139 -7.152 4.373 222 HD22 LEU 38 HD22 LEU 38 2.120 -6.833 2.972 223 HD23 LEU 38 HD23 LEU 38 1.739 -8.172 4.054 224 H SER 39 HN SER 39 -1.178 -7.346 7.388 225 HA SER 39 HA SER 39 -2.308 -8.992 5.245 226 HB2 SER 39 HB2 SER 39 -3.771 -7.639 7.514 227 HB3 SER 39 HB1 SER 39 -4.417 -8.855 6.416 228 HG SER 39 HG SER 39 -2.149 -9.703 7.657 229 H VAL 40 HN VAL 40 -3.940 -7.988 3.865 230 HA VAL 40 HA VAL 40 -2.942 -5.867 2.551 231 HB VAL 40 HB VAL 40 -5.034 -7.496 2.124 232 HG11 VAL 40 HG11 VAL 40 -6.288 -4.798 2.617 233 HG12 VAL 40 HG12 VAL 40 -6.640 -6.301 3.471 234 HG13 VAL 40 HG13 VAL 40 -7.062 -6.136 1.766 235 HG21 VAL 40 HG21 VAL 40 -3.665 -6.470 0.470 236 HG22 VAL 40 HG22 VAL 40 -4.448 -4.904 0.741 237 HG23 VAL 40 HG23 VAL 40 -5.368 -6.245 0.057 238 H GLU 41 HN GLU 41 -5.277 -5.632 5.181 239 HA GLU 41 HA GLU 41 -6.039 -3.017 4.969 240 HB2 GLU 41 HB2 GLU 41 -5.274 -4.355 7.575 241 HB3 GLU 41 HB1 GLU 41 -6.387 -3.008 7.365 242 HG2 GLU 41 HG2 GLU 41 -8.018 -4.361 6.377 243 HG3 GLU 41 HG1 GLU 41 -6.877 -5.676 6.095 244 H ASP 42 HN ASP 42 -3.176 -4.153 6.802 245 HA ASP 42 HA ASP 42 -2.205 -1.647 7.486 246 HB2 ASP 42 HB2 ASP 42 -0.748 -4.255 7.029 247 HB3 ASP 42 HB1 ASP 42 0.008 -2.826 7.717 248 H PHE 43 HN PHE 43 -1.739 -3.521 4.525 249 HA PHE 43 HA PHE 43 0.161 -1.812 3.337 250 HB2 PHE 43 HB2 PHE 43 -0.276 -3.945 2.292 251 HB3 PHE 43 HB1 PHE 43 -1.969 -3.529 2.052 252 HD1 PHE 43 HD2 PHE 43 -2.452 -1.481 0.532 253 HD2 PHE 43 HD1 PHE 43 1.272 -3.548 0.559 254 HE1 PHE 43 HE2 PHE 43 -1.928 -0.587 -1.698 255 HE2 PHE 43 HE1 PHE 43 1.796 -2.676 -1.661 256 HZ PHE 43 HZ PHE 43 0.211 -1.125 -2.774 257 H LEU 44 HN LEU 44 -3.339 -1.993 3.108 258 HA LEU 44 HA LEU 44 -3.758 0.114 1.359 259 HB2 LEU 44 HB2 LEU 44 -5.677 -0.644 3.561 260 HB3 LEU 44 HB1 LEU 44 -6.075 0.022 1.988 261 HG LEU 44 HG LEU 44 -5.409 -2.762 2.754 262 HD11 LEU 44 HD11 LEU 44 -7.360 -1.444 0.896 263 HD12 LEU 44 HD12 LEU 44 -7.686 -2.265 2.424 264 HD13 LEU 44 HD13 LEU 44 -7.146 -3.199 1.018 265 HD21 LEU 44 HD21 LEU 44 -3.730 -2.618 1.199 266 HD22 LEU 44 HD22 LEU 44 -4.620 -1.490 0.177 267 HD23 LEU 44 HD23 LEU 44 -5.096 -3.187 0.241 268 H MET 45 HN MET 45 -3.266 0.085 4.798 269 HA MET 45 HA MET 45 -3.884 2.799 5.335 270 HB2 MET 45 HB2 MET 45 -1.771 1.122 6.702 271 HB3 MET 45 HB1 MET 45 -2.563 2.549 7.350 272 HG2 MET 45 HG2 MET 45 -4.694 1.333 7.355 273 HG3 MET 45 HG1 MET 45 -3.855 -0.098 6.766 274 HE1 MET 45 HE1 MET 45 -3.224 1.802 10.918 275 HE2 MET 45 HE2 MET 45 -4.392 2.366 9.726 276 HE3 MET 45 HE3 MET 45 -2.666 2.576 9.437 277 H LEU 46 HN LEU 46 -0.709 1.253 4.904 278 HA LEU 46 HA LEU 46 0.905 3.469 4.784 279 HB2 LEU 46 HB2 LEU 46 1.221 1.048 3.013 280 HB3 LEU 46 HB1 LEU 46 2.487 2.145 3.525 281 HG LEU 46 HG LEU 46 1.026 0.111 5.193 282 HD11 LEU 46 HD11 LEU 46 2.937 -0.618 3.797 283 HD12 LEU 46 HD12 LEU 46 3.182 -0.836 5.528 284 HD13 LEU 46 HD13 LEU 46 3.961 0.505 4.692 285 HD21 LEU 46 HD21 LEU 46 1.303 2.323 6.366 286 HD22 LEU 46 HD22 LEU 46 3.050 2.095 6.199 287 HD23 LEU 46 HD23 LEU 46 2.093 0.940 7.130 288 H ARG 47 HN ARG 47 -0.562 1.835 2.006 289 HA ARG 47 HA ARG 47 0.188 3.686 0.048 290 HB2 ARG 47 HB2 ARG 47 -0.582 1.691 -0.806 291 HB3 ARG 47 HB1 ARG 47 -1.958 1.618 0.289 292 HG2 ARG 47 HG2 ARG 47 -2.503 3.832 -1.202 293 HG3 ARG 47 HG1 ARG 47 -1.721 2.775 -2.376 294 HD2 ARG 47 HD2 ARG 47 -3.291 1.000 -1.810 295 HD3 ARG 47 HD1 ARG 47 -4.055 2.052 -0.611 296 HE ARG 47 HE ARG 47 -3.988 2.786 -3.467 297 HH11 ARG 47 HH11 ARG 47 -5.805 2.194 -0.523 298 HH12 ARG 47 HH12 ARG 47 -7.309 2.725 -1.211 299 HH21 ARG 47 HH21 ARG 47 -5.949 3.503 -4.331 300 HH22 ARG 47 HH22 ARG 47 -7.399 3.475 -3.364 301 H HIS 48 HN HIS 48 -2.925 3.397 1.741 302 HA HIS 48 HA HIS 48 -4.311 5.572 1.010 303 HB2 HIS 48 HB2 HIS 48 -4.073 4.079 3.486 304 HB3 HIS 48 HB1 HIS 48 -4.530 5.756 3.773 305 HD1 HIS 48 HD1 HIS 48 -6.795 4.529 4.628 306 HD2 HIS 48 HD2 HIS 48 -6.052 4.484 0.544 307 HE1 HIS 48 HE1 HIS 48 -8.961 3.842 3.561 308 HE2 HIS 48 HE2 HIS 48 -8.414 3.582 1.118 309 H ARG 49 HN ARG 49 -1.876 5.736 3.622 310 HA ARG 49 HA ARG 49 -2.330 8.454 4.129 311 HB2 ARG 49 HB2 ARG 49 0.217 6.942 4.614 312 HB3 ARG 49 HB1 ARG 49 -0.316 8.412 5.429 313 HG2 ARG 49 HG2 ARG 49 -2.341 7.060 6.175 314 HG3 ARG 49 HG1 ARG 49 -1.437 5.637 5.647 315 HD2 ARG 49 HD2 ARG 49 0.449 6.800 7.056 316 HD3 ARG 49 HD1 ARG 49 -0.932 7.490 7.895 317 HE ARG 49 HE ARG 49 -0.632 4.574 7.560 318 HH11 ARG 49 HH11 ARG 49 -1.224 7.378 9.584 319 HH12 ARG 49 HH12 ARG 49 -1.415 6.450 11.032 320 HH21 ARG 49 HH21 ARG 49 -0.890 3.358 9.486 321 HH22 ARG 49 HH22 ARG 49 -1.221 4.172 10.980 322 H ALA 50 HN ALA 50 0.080 6.858 2.114 323 HA ALA 50 HA ALA 50 1.413 9.148 1.188 324 HB1 ALA 50 HB1 ALA 50 0.979 6.576 -0.331 325 HB2 ALA 50 HB2 ALA 50 2.231 6.832 0.884 326 HB3 ALA 50 HB3 ALA 50 2.252 7.769 -0.610 327 H ALA 51 HN ALA 51 -1.167 7.284 -0.449 328 HA ALA 51 HA ALA 51 -1.642 8.996 -2.554 329 HB1 ALA 51 HB1 ALA 51 -2.515 6.712 -2.344 330 HB2 ALA 51 HB2 ALA 51 -3.774 7.871 -2.768 331 HB3 ALA 51 HB3 ALA 51 -3.651 7.273 -1.114 332 H LEU 52 HN LEU 52 -2.978 9.098 0.711 333 HA LEU 52 HA LEU 52 -4.887 11.145 -0.005 334 HB2 LEU 52 HB2 LEU 52 -4.270 10.230 2.788 335 HB3 LEU 52 HB1 LEU 52 -5.766 10.899 2.160 336 HG LEU 52 HG LEU 52 -4.654 8.187 1.463 337 HD11 LEU 52 HD11 LEU 52 -5.419 8.317 3.775 338 HD12 LEU 52 HD12 LEU 52 -6.443 7.274 2.782 339 HD13 LEU 52 HD13 LEU 52 -6.992 8.897 3.214 340 HD21 LEU 52 HD21 LEU 52 -7.227 9.540 0.721 341 HD22 LEU 52 HD22 LEU 52 -6.863 7.831 0.445 342 HD23 LEU 52 HD23 LEU 52 -5.909 9.082 -0.361 343 H GLY 53 HN GLY 53 -2.732 11.196 2.863 344 HA2 GLY 53 HA2 GLY 53 -0.978 13.152 1.925 345 HA3 GLY 53 HA1 GLY 53 -2.329 13.983 2.672 346 H ALA 54 HN ALA 54 -1.541 10.933 4.077 347 HA ALA 54 HA ALA 54 -0.524 12.346 6.416 348 HB1 ALA 54 HB1 ALA 54 -2.338 10.918 6.936 349 HB2 ALA 54 HB2 ALA 54 -0.881 10.150 7.571 350 HB3 ALA 54 HB3 ALA 54 -1.608 9.569 6.074 351 H ASP 55 HN ASP 55 1.465 12.138 7.182 352 HA ASP 55 HA ASP 55 3.327 10.471 5.652 353 HB2 ASP 55 HB2 ASP 55 3.727 13.084 7.099 354 HB3 ASP 55 HB1 ASP 55 5.082 12.075 6.607 355 H ASP 56 HN ASP 56 1.933 9.214 7.597 356 HA ASP 56 HA ASP 56 3.501 8.860 9.962 357 HB2 ASP 56 HB2 ASP 56 1.202 8.040 9.900 358 HB3 ASP 56 HB1 ASP 56 1.609 6.954 8.579 359 H ASN 57 HN ASN 57 5.466 7.995 10.084 360 HA ASN 57 HA ASN 57 7.120 7.464 8.130 361 HB2 ASN 57 HB2 ASN 57 8.496 6.136 9.588 362 HB3 ASN 57 HB1 ASN 57 7.860 7.548 10.408 363 HD21 ASN 57 HD21 ASN 57 7.956 4.122 10.279 364 HD22 ASN 57 HD22 ASN 57 7.049 3.823 11.715 365 H ASP 58 HN ASP 58 4.991 4.816 9.329 366 HA ASP 58 HA ASP 58 6.361 2.789 7.876 367 HB2 ASP 58 HB2 ASP 58 3.541 2.956 8.918 368 HB3 ASP 58 HB1 ASP 58 4.099 1.577 7.982 369 H ALA 59 HN ALA 59 3.767 4.954 7.160 370 HA ALA 59 HA ALA 59 3.215 3.973 4.547 371 HB1 ALA 59 HB1 ALA 59 1.598 5.259 5.871 372 HB2 ALA 59 HB2 ALA 59 1.879 5.950 4.270 373 HB3 ALA 59 HB3 ALA 59 2.622 6.691 5.689 374 H VAL 60 HN VAL 60 5.452 6.375 5.858 375 HA VAL 60 HA VAL 60 5.913 7.527 3.273 376 HB VAL 60 HB VAL 60 7.427 9.001 4.213 377 HG11 VAL 60 HG11 VAL 60 5.237 9.415 5.092 378 HG12 VAL 60 HG12 VAL 60 6.443 9.792 6.321 379 HG13 VAL 60 HG13 VAL 60 5.520 8.292 6.420 380 HG21 VAL 60 HG21 VAL 60 9.028 7.554 5.151 381 HG22 VAL 60 HG22 VAL 60 7.908 7.016 6.404 382 HG23 VAL 60 HG23 VAL 60 8.522 8.672 6.422 383 H LYS 61 HN LYS 61 7.543 5.186 5.361 384 HA LYS 61 HA LYS 61 9.729 4.746 3.606 385 HB2 LYS 61 HB2 LYS 61 8.474 2.999 5.722 386 HB3 LYS 61 HB1 LYS 61 10.051 2.727 4.985 387 HG2 LYS 61 HG2 LYS 61 11.012 4.541 6.041 388 HG3 LYS 61 HG1 LYS 61 9.456 5.343 6.292 389 HD2 LYS 61 HD2 LYS 61 10.608 4.308 8.333 390 HD3 LYS 61 HD1 LYS 61 8.898 3.944 8.084 391 HE2 LYS 61 HE2 LYS 61 10.011 1.917 8.665 392 HE3 LYS 61 HE1 LYS 61 9.575 1.853 6.958 393 HZ1 LYS 61 HZ1 LYS 61 11.824 1.027 7.367 394 HZ2 LYS 61 HZ2 LYS 61 12.273 2.528 8.006 395 HZ3 LYS 61 HZ3 LYS 61 11.843 2.398 6.377 396 H PHE 62 HN PHE 62 6.488 3.451 3.890 397 HA PHE 62 HA PHE 62 6.631 1.428 1.960 398 HB2 PHE 62 HB2 PHE 62 4.644 1.700 3.329 399 HB3 PHE 62 HB1 PHE 62 4.369 3.309 2.677 400 HD1 PHE 62 HD2 PHE 62 4.128 -0.290 2.016 401 HD2 PHE 62 HD1 PHE 62 3.430 3.618 0.493 402 HE1 PHE 62 HE2 PHE 62 2.709 -1.240 0.253 403 HE2 PHE 62 HE1 PHE 62 2.001 2.674 -1.272 404 HZ PHE 62 HZ PHE 62 1.658 0.211 -1.390 405 H ARG 63 HN ARG 63 5.510 4.778 1.621 406 HA ARG 63 HA ARG 63 5.404 5.047 -1.082 407 HB2 ARG 63 HB2 ARG 63 4.695 6.802 0.362 408 HB3 ARG 63 HB1 ARG 63 6.283 6.955 1.076 409 HG2 ARG 63 HG2 ARG 63 5.886 7.553 -1.824 410 HG3 ARG 63 HG1 ARG 63 5.436 8.738 -0.595 411 HD2 ARG 63 HD2 ARG 63 7.808 8.379 0.341 412 HD3 ARG 63 HD1 ARG 63 8.142 7.583 -1.195 413 HE ARG 63 HE ARG 63 6.988 10.067 -1.728 414 HH11 ARG 63 HH11 ARG 63 9.961 8.731 -0.462 415 HH12 ARG 63 HH12 ARG 63 10.941 10.049 -1.013 416 HH21 ARG 63 HH21 ARG 63 8.264 11.817 -2.440 417 HH22 ARG 63 HH22 ARG 63 9.972 11.812 -2.130 418 H SER 64 HN SER 64 8.230 6.025 0.802 419 HA SER 64 HA SER 64 10.085 6.442 -1.046 420 HB2 SER 64 HB2 SER 64 10.528 4.855 1.482 421 HB3 SER 64 HB1 SER 64 11.800 5.651 0.553 422 HG SER 64 HG SER 64 9.770 6.753 2.142 423 H TRP 65 HN TRP 65 9.562 3.140 0.241 424 HA TRP 65 HA TRP 65 11.308 1.911 -1.614 425 HB2 TRP 65 HB2 TRP 65 11.022 0.629 0.268 426 HB3 TRP 65 HB1 TRP 65 9.301 0.972 0.369 427 HD1 TRP 65 HD1 TRP 65 11.761 -1.375 -1.441 428 HE1 TRP 65 HE1 TRP 65 10.421 -3.422 -2.295 429 HE3 TRP 65 HE3 TRP 65 7.118 0.249 -0.316 430 HZ2 TRP 65 HZ2 TRP 65 7.702 -4.181 -2.494 431 HZ3 TRP 65 HZ3 TRP 65 5.179 -1.172 -0.857 432 HH2 TRP 65 HH2 TRP 65 5.471 -3.352 -1.917 433 H TRP 66 HN TRP 66 7.788 2.264 -1.567 434 HA TRP 66 HA TRP 66 7.359 0.513 -3.770 435 HB2 TRP 66 HB2 TRP 66 5.754 1.059 -1.875 436 HB3 TRP 66 HB1 TRP 66 5.440 2.580 -2.696 437 HD1 TRP 66 HD1 TRP 66 3.093 2.345 -3.653 438 HE1 TRP 66 HE1 TRP 66 1.808 0.620 -5.036 439 HE3 TRP 66 HE3 TRP 66 6.637 -1.328 -3.839 440 HZ2 TRP 66 HZ2 TRP 66 2.244 -1.894 -6.090 441 HZ3 TRP 66 HZ3 TRP 66 6.107 -3.381 -5.080 442 HH2 TRP 66 HH2 TRP 66 3.955 -3.667 -6.182 443 H ASN 67 HN ASN 67 8.139 3.862 -3.523 444 HA ASN 67 HA ASN 67 7.019 4.446 -6.163 445 HB2 ASN 67 HB2 ASN 67 7.957 6.117 -3.889 446 HB3 ASN 67 HB1 ASN 67 7.969 6.798 -5.513 447 HD21 ASN 67 HD21 ASN 67 5.998 5.504 -2.968 448 HD22 ASN 67 HD22 ASN 67 4.495 6.126 -3.548 449 H SER 68 HN SER 68 9.715 3.160 -5.000 450 HA SER 68 HA SER 68 11.517 4.512 -6.849 451 HB2 SER 68 HB2 SER 68 12.055 2.184 -4.977 452 HB3 SER 68 HB1 SER 68 13.267 3.071 -5.902 453 HG SER 68 HG SER 68 11.615 4.110 -3.827 454 H ARG 69 HN ARG 69 9.405 1.916 -6.641 455 HA ARG 69 HA ARG 69 10.678 0.482 -8.851 456 HB2 ARG 69 HB2 ARG 69 8.920 -1.301 -7.745 457 HB3 ARG 69 HB1 ARG 69 10.639 -1.223 -7.406 458 HG2 ARG 69 HG2 ARG 69 10.326 -0.117 -5.388 459 HG3 ARG 69 HG1 ARG 69 8.681 0.362 -5.795 460 HD2 ARG 69 HD2 ARG 69 8.761 -1.451 -4.133 461 HD3 ARG 69 HD1 ARG 69 7.932 -1.919 -5.615 462 HE ARG 69 HE ARG 69 10.732 -2.666 -5.066 463 HH11 ARG 69 HH11 ARG 69 7.516 -3.424 -6.206 464 HH12 ARG 69 HH12 ARG 69 7.876 -5.084 -6.569 465 HH21 ARG 69 HH21 ARG 69 11.231 -4.856 -5.535 466 HH22 ARG 69 HH22 ARG 69 10.005 -5.891 -6.196 467 H THR 70 HN THR 70 7.510 0.679 -7.345 468 HA THR 70 HA THR 70 6.157 0.363 -9.896 469 HB THR 70 HB THR 70 5.050 0.609 -7.115 470 HG1 THR 70 HG1 THR 70 5.130 -1.910 -8.223 471 HG21 THR 70 HG21 THR 70 3.157 -0.693 -8.100 472 HG22 THR 70 HG22 THR 70 3.885 -0.434 -9.686 473 HG23 THR 70 HG23 THR 70 3.341 0.945 -8.728 474 H LYS 71 HN LYS 71 5.898 2.462 -7.071 475 HA LYS 71 HA LYS 71 5.229 4.607 -6.779 476 HB2 LYS 71 HB2 LYS 71 5.202 4.833 -9.766 477 HB3 LYS 71 HB1 LYS 71 5.140 6.140 -8.602 478 HG2 LYS 71 HG2 LYS 71 7.348 5.531 -7.773 479 HG3 LYS 71 HG1 LYS 71 7.424 4.232 -8.958 480 HD2 LYS 71 HD2 LYS 71 8.712 6.111 -9.722 481 HD3 LYS 71 HD1 LYS 71 7.289 5.920 -10.757 482 HE2 LYS 71 HE2 LYS 71 6.156 7.699 -9.513 483 HE3 LYS 71 HE1 LYS 71 7.574 7.881 -8.480 484 HZ1 LYS 71 HZ1 LYS 71 7.520 9.544 -10.236 485 HZ2 LYS 71 HZ2 LYS 71 7.510 8.335 -11.417 486 HZ3 LYS 71 HZ3 LYS 71 8.859 8.527 -10.417 487 H MET 72 HN MET 72 3.615 2.207 -7.385 488 HA MET 72 HA MET 72 1.477 1.531 -7.405 489 HB2 MET 72 HB2 MET 72 -0.006 2.982 -5.905 490 HB3 MET 72 HB1 MET 72 1.438 2.267 -5.225 491 HG2 MET 72 HG2 MET 72 1.912 4.241 -4.473 492 HG3 MET 72 HG1 MET 72 2.296 4.718 -6.125 493 HE1 MET 72 HE1 MET 72 -1.438 5.739 -3.673 494 HE2 MET 72 HE2 MET 72 0.066 5.035 -3.081 495 HE3 MET 72 HE3 MET 72 -1.048 4.060 -4.042 496 H ALA 73 HN ALA 73 -0.884 2.765 -7.199 497 HA ALA 73 HA ALA 73 -1.347 4.391 -9.524 498 HB1 ALA 73 HB1 ALA 73 -3.019 2.884 -10.435 499 HB2 ALA 73 HB2 ALA 73 -2.664 1.714 -9.165 500 HB3 ALA 73 HB3 ALA 73 -1.446 2.096 -10.380 501 H ASN 74 HN ASN 74 -1.406 5.303 -7.161 502 HA ASN 74 HA ASN 74 -2.628 5.683 -5.190 503 HB2 ASN 74 HB2 ASN 74 -3.497 7.257 -7.550 504 HB3 ASN 74 HB1 ASN 74 -4.297 7.538 -6.006 505 HD21 ASN 74 HD21 ASN 74 -3.142 8.433 -4.319 506 HD22 ASN 74 HD22 ASN 74 -1.586 9.161 -4.528 507 H ASP 75 HN ASP 75 -5.466 6.282 -7.063 508 HA ASP 75 HA ASP 75 -6.657 3.763 -6.126 509 HB2 ASP 75 HB2 ASP 75 -7.306 5.841 -4.729 510 HB3 ASP 75 HB1 ASP 75 -8.200 6.365 -6.150 511 H TYR 76 HN TYR 76 -5.471 4.399 -8.639 512 HA TYR 76 HA TYR 76 -7.543 5.063 -10.511 513 HB2 TYR 76 HB2 TYR 76 -4.815 3.844 -10.881 514 HB3 TYR 76 HB1 TYR 76 -5.893 4.277 -12.202 515 HD1 TYR 76 HD1 TYR 76 -6.631 6.727 -12.367 516 HD2 TYR 76 HD2 TYR 76 -3.359 5.446 -9.975 517 HE1 TYR 76 HE1 TYR 76 -5.757 9.011 -12.354 518 HE2 TYR 76 HE2 TYR 76 -2.478 7.727 -9.951 519 HH TYR 76 HH TYR 76 -4.287 10.420 -10.979 Start of MODEL 6 1 H1 GLY 10 HT1 GLY 10 -12.001 6.017 -4.312 2 H2 GLY 10 HT2 GLY 10 -10.578 5.316 -4.902 3 H3 GLY 10 HT3 GLY 10 -10.606 6.955 -4.480 4 HA2 GLY 10 HA1 GLY 10 -9.490 5.685 -2.778 5 HA3 GLY 10 HA2 GLY 10 -10.975 6.399 -2.169 6 H THR 11 HN THR 11 -10.109 4.423 -0.695 7 HA THR 11 HA THR 11 -11.967 2.250 -1.271 8 HB THR 11 HB THR 11 -9.450 1.346 -0.062 9 HG1 THR 11 HG1 THR 11 -9.516 2.143 -2.812 10 HG21 THR 11 HG21 THR 11 -11.578 0.101 -1.006 11 HG22 THR 11 HG22 THR 11 -9.980 -0.625 -1.062 12 HG23 THR 11 HG23 THR 11 -10.641 0.147 -2.506 13 H TYR 12 HN TYR 12 -10.557 0.857 1.007 14 HA TYR 12 HA TYR 12 -11.410 2.476 3.291 15 HB2 TYR 12 HB2 TYR 12 -12.135 -0.401 3.189 16 HB3 TYR 12 HB1 TYR 12 -12.871 0.896 4.125 17 HD1 TYR 12 HD2 TYR 12 -14.434 2.449 3.047 18 HD2 TYR 12 HD1 TYR 12 -12.857 -0.913 1.018 19 HE1 TYR 12 HE2 TYR 12 -16.184 2.674 1.334 20 HE2 TYR 12 HE1 TYR 12 -14.564 -0.707 -0.706 21 HH TYR 12 HH TYR 12 -16.555 2.040 -1.016 22 H ARG 13 HN ARG 13 -11.046 0.757 5.269 23 HA ARG 13 HA ARG 13 -9.181 -1.308 4.954 24 HB2 ARG 13 HB2 ARG 13 -7.620 0.597 4.634 25 HB3 ARG 13 HB1 ARG 13 -8.083 1.193 6.208 26 HG2 ARG 13 HG2 ARG 13 -6.970 -1.557 5.968 27 HG3 ARG 13 HG1 ARG 13 -5.890 -0.162 5.905 28 HD2 ARG 13 HD2 ARG 13 -7.732 -0.973 8.134 29 HD3 ARG 13 HD1 ARG 13 -5.963 -0.923 8.152 30 HE ARG 13 HE ARG 13 -6.725 1.645 7.608 31 HH11 ARG 13 HH11 ARG 13 -7.398 -0.637 10.173 32 HH12 ARG 13 HH12 ARG 13 -7.645 0.589 11.376 33 HH21 ARG 13 HH21 ARG 13 -7.026 3.266 9.195 34 HH22 ARG 13 HH22 ARG 13 -7.432 2.811 10.819 35 H GLY 14 HN GLY 14 -9.078 -2.532 6.853 36 HA2 GLY 14 HA2 GLY 14 -9.686 -3.023 9.078 37 HA3 GLY 14 HA1 GLY 14 -10.511 -1.472 9.164 38 H ARG 15 HN ARG 15 -10.774 -4.071 6.811 39 HA ARG 15 HA ARG 15 -13.361 -4.923 7.498 40 HB2 ARG 15 HB2 ARG 15 -14.633 -3.833 5.685 41 HB3 ARG 15 HB1 ARG 15 -14.032 -2.653 6.842 42 HG2 ARG 15 HG2 ARG 15 -12.492 -1.790 5.397 43 HG3 ARG 15 HG1 ARG 15 -12.418 -3.273 4.432 44 HD2 ARG 15 HD2 ARG 15 -13.586 -1.390 3.284 45 HD3 ARG 15 HD1 ARG 15 -14.567 -2.852 3.477 46 HE ARG 15 HE ARG 15 -14.910 -0.928 5.594 47 HH11 ARG 15 HH11 ARG 15 -15.982 -1.931 2.418 48 HH12 ARG 15 HH12 ARG 15 -17.520 -1.144 2.548 49 HH21 ARG 15 HH21 ARG 15 -16.924 0.106 5.776 50 HH22 ARG 15 HH22 ARG 15 -18.061 0.018 4.467 51 H GLY 16 HN GLY 16 -14.422 -5.593 5.118 52 HA2 GLY 16 HA2 GLY 16 -12.615 -7.514 4.015 53 HA3 GLY 16 HA1 GLY 16 -14.243 -7.156 3.459 54 H VAL 17 HN VAL 17 -11.324 -5.161 3.715 55 HA VAL 17 HA VAL 17 -11.844 -3.791 1.314 56 HB VAL 17 HB VAL 17 -9.242 -3.312 1.413 57 HG11 VAL 17 HG11 VAL 17 -11.253 -2.271 3.389 58 HG12 VAL 17 HG12 VAL 17 -11.019 -1.722 1.730 59 HG13 VAL 17 HG13 VAL 17 -9.744 -1.477 2.935 60 HG21 VAL 17 HG21 VAL 17 -8.505 -3.361 3.806 61 HG22 VAL 17 HG22 VAL 17 -8.630 -4.947 3.042 62 HG23 VAL 17 HG23 VAL 17 -9.884 -4.402 4.158 63 H ALA 18 HN ALA 18 -11.437 -4.118 -0.661 64 HA ALA 18 HA ALA 18 -9.743 -6.398 -1.424 65 HB1 ALA 18 HB1 ALA 18 -11.980 -5.113 -2.993 66 HB2 ALA 18 HB2 ALA 18 -12.067 -6.661 -2.154 67 HB3 ALA 18 HB3 ALA 18 -10.987 -6.463 -3.535 68 H LEU 19 HN LEU 19 -9.987 -3.092 -1.252 69 HA LEU 19 HA LEU 19 -8.682 -1.375 -1.945 70 HB2 LEU 19 HB2 LEU 19 -7.038 -2.978 -1.020 71 HB3 LEU 19 HB1 LEU 19 -6.818 -3.629 -2.591 72 HG LEU 19 HG LEU 19 -5.072 -2.094 -1.634 73 HD11 LEU 19 HD11 LEU 19 -4.653 -2.575 -3.775 74 HD12 LEU 19 HD12 LEU 19 -4.950 -0.841 -3.900 75 HD13 LEU 19 HD13 LEU 19 -6.214 -1.990 -4.335 76 HD21 LEU 19 HD21 LEU 19 -5.473 0.295 -2.059 77 HD22 LEU 19 HD22 LEU 19 -6.425 -0.390 -0.745 78 HD23 LEU 19 HD23 LEU 19 -7.176 -0.091 -2.314 79 H THR 20 HN THR 20 -7.438 -0.568 -4.163 80 HA THR 20 HA THR 20 -9.114 -1.166 -6.337 81 HB THR 20 HB THR 20 -7.774 0.944 -6.160 82 HG1 THR 20 HG1 THR 20 -6.937 0.473 -8.563 83 HG21 THR 20 HG21 THR 20 -5.500 -0.847 -7.002 84 HG22 THR 20 HG22 THR 20 -5.641 0.005 -5.465 85 HG23 THR 20 HG23 THR 20 -5.449 0.915 -6.965 86 H ASP 21 HN ASP 21 -7.585 -1.770 -8.518 87 HA ASP 21 HA ASP 21 -7.509 -4.596 -8.134 88 HB2 ASP 21 HB2 ASP 21 -6.879 -2.913 -10.557 89 HB3 ASP 21 HB1 ASP 21 -6.952 -4.673 -10.565 90 H ASP 22 HN ASP 22 -4.984 -2.317 -9.211 91 HA ASP 22 HA ASP 22 -2.998 -4.327 -9.430 92 HB2 ASP 22 HB2 ASP 22 -2.823 -1.321 -9.298 93 HB3 ASP 22 HB1 ASP 22 -1.413 -2.347 -9.528 94 H GLU 23 HN GLU 23 -3.203 -1.651 -7.152 95 HA GLU 23 HA GLU 23 -1.104 -2.157 -5.527 96 HB2 GLU 23 HB2 GLU 23 -3.655 -0.792 -5.280 97 HB3 GLU 23 HB1 GLU 23 -2.947 -1.204 -3.723 98 HG2 GLU 23 HG2 GLU 23 -1.065 0.154 -4.172 99 HG3 GLU 23 HG1 GLU 23 -1.361 0.157 -5.908 100 H TYR 24 HN TYR 24 -4.242 -3.823 -5.262 101 HA TYR 24 HA TYR 24 -3.656 -5.037 -2.765 102 HB2 TYR 24 HB2 TYR 24 -5.931 -4.748 -3.783 103 HB3 TYR 24 HB1 TYR 24 -5.537 -6.034 -4.913 104 HD1 TYR 24 HD2 TYR 24 -5.167 -8.353 -4.051 105 HD2 TYR 24 HD1 TYR 24 -6.731 -5.258 -1.539 106 HE1 TYR 24 HE2 TYR 24 -6.030 -10.043 -2.493 107 HE2 TYR 24 HE1 TYR 24 -7.599 -6.963 -0.010 108 HH TYR 24 HH TYR 24 -8.228 -9.289 0.014 109 H ASP 25 HN ASP 25 -3.689 -6.466 -6.035 110 HA ASP 25 HA ASP 25 -2.269 -8.796 -5.584 111 HB2 ASP 25 HB2 ASP 25 -2.255 -6.922 -7.945 112 HB3 ASP 25 HB1 ASP 25 -1.268 -8.377 -7.941 113 H GLU 26 HN GLU 26 -0.964 -5.555 -6.084 114 HA GLU 26 HA GLU 26 1.740 -6.471 -5.952 115 HB2 GLU 26 HB2 GLU 26 0.495 -3.750 -6.105 116 HB3 GLU 26 HB1 GLU 26 2.229 -3.977 -5.922 117 HG2 GLU 26 HG2 GLU 26 2.193 -5.402 -7.960 118 HG3 GLU 26 HG1 GLU 26 0.499 -4.971 -8.170 119 H TRP 27 HN TRP 27 -0.558 -5.502 -3.575 120 HA TRP 27 HA TRP 27 1.208 -4.956 -1.449 121 HB2 TRP 27 HB2 TRP 27 -0.909 -4.578 -0.706 122 HB3 TRP 27 HB1 TRP 27 -1.599 -5.832 -1.726 123 HD1 TRP 27 HD1 TRP 27 0.308 -5.553 1.684 124 HE1 TRP 27 HE1 TRP 27 -0.526 -7.480 3.167 125 HE3 TRP 27 HE3 TRP 27 -2.689 -7.980 -1.689 126 HZ2 TRP 27 HZ2 TRP 27 -2.226 -9.693 2.942 127 HZ3 TRP 27 HZ3 TRP 27 -3.874 -10.008 -0.964 128 HH2 TRP 27 HH2 TRP 27 -3.638 -10.855 1.312 129 H ARG 28 HN ARG 28 0.079 -7.911 -2.917 130 HA ARG 28 HA ARG 28 1.213 -9.732 -1.098 131 HB2 ARG 28 HB2 ARG 28 0.867 -10.150 -4.074 132 HB3 ARG 28 HB1 ARG 28 0.896 -11.385 -2.819 133 HG2 ARG 28 HG2 ARG 28 -1.203 -10.350 -1.896 134 HG3 ARG 28 HG1 ARG 28 -1.233 -9.323 -3.327 135 HD2 ARG 28 HD2 ARG 28 -1.371 -12.333 -3.271 136 HD3 ARG 28 HD1 ARG 28 -2.679 -11.221 -3.673 137 HE ARG 28 HE ARG 28 -0.282 -11.083 -5.319 138 HH11 ARG 28 HH11 ARG 28 -3.567 -12.250 -4.971 139 HH12 ARG 28 HH12 ARG 28 -3.760 -12.572 -6.663 140 HH21 ARG 28 HH21 ARG 28 -0.534 -11.510 -7.535 141 HH22 ARG 28 HH22 ARG 28 -2.039 -12.142 -8.124 142 H GLU 29 HN GLU 29 2.490 -8.028 -3.917 143 HA GLU 29 HA GLU 29 5.110 -9.143 -3.761 144 HB2 GLU 29 HB2 GLU 29 4.308 -7.982 -5.772 145 HB3 GLU 29 HB1 GLU 29 4.239 -6.470 -4.879 146 HG2 GLU 29 HG2 GLU 29 6.643 -6.509 -4.577 147 HG3 GLU 29 HG1 GLU 29 6.740 -8.067 -5.396 148 H HIS 30 HN HIS 30 3.691 -6.151 -2.481 149 HA HIS 30 HA HIS 30 5.794 -5.050 -1.122 150 HB2 HIS 30 HB2 HIS 30 3.610 -3.984 -1.137 151 HB3 HIS 30 HB1 HIS 30 2.922 -5.292 -0.181 152 HD1 HIS 30 HD1 HIS 30 2.191 -3.821 1.773 153 HD2 HIS 30 HD2 HIS 30 6.241 -3.490 0.923 154 HE1 HIS 30 HE1 HIS 30 3.171 -2.499 3.683 155 HE2 HIS 30 HE2 HIS 30 5.584 -2.153 3.033 156 H ASN 31 HN ASN 31 3.765 -7.714 0.005 157 HA ASN 31 HA ASN 31 4.932 -8.062 2.519 158 HB2 ASN 31 HB2 ASN 31 2.831 -9.143 1.777 159 HB3 ASN 31 HB1 ASN 31 3.761 -10.186 0.714 160 HD21 ASN 31 HD21 ASN 31 4.822 -11.929 1.542 161 HD22 ASN 31 HD22 ASN 31 4.697 -12.423 3.195 162 H ALA 32 HN ALA 32 5.725 -9.418 -0.612 163 HA ALA 32 HA ALA 32 7.830 -11.106 0.234 164 HB1 ALA 32 HB1 ALA 32 7.397 -9.864 -2.473 165 HB2 ALA 32 HB2 ALA 32 6.637 -11.351 -1.898 166 HB3 ALA 32 HB3 ALA 32 8.385 -11.279 -2.105 167 H SER 33 HN SER 33 7.964 -8.022 -1.543 168 HA SER 33 HA SER 33 10.720 -7.803 -1.621 169 HB2 SER 33 HB2 SER 33 9.193 -6.480 -3.026 170 HB3 SER 33 HB1 SER 33 8.681 -5.565 -1.615 171 HG SER 33 HG SER 33 11.271 -5.644 -2.779 172 H ARG 34 HN ARG 34 8.514 -6.348 0.777 173 HA ARG 34 HA ARG 34 10.738 -5.101 2.132 174 HB2 ARG 34 HB2 ARG 34 7.789 -5.140 2.670 175 HB3 ARG 34 HB1 ARG 34 8.943 -4.353 3.738 176 HG2 ARG 34 HG2 ARG 34 8.587 -3.698 0.819 177 HG3 ARG 34 HG1 ARG 34 7.854 -2.805 2.153 178 HD2 ARG 34 HD2 ARG 34 10.809 -3.165 1.665 179 HD3 ARG 34 HD1 ARG 34 9.877 -1.711 1.332 180 HE ARG 34 HE ARG 34 9.933 -2.716 4.081 181 HH11 ARG 34 HH11 ARG 34 11.038 -0.363 1.742 182 HH12 ARG 34 HH12 ARG 34 11.461 0.817 2.939 183 HH21 ARG 34 HH21 ARG 34 10.519 -1.173 5.664 184 HH22 ARG 34 HH22 ARG 34 11.194 0.348 5.162 185 H LYS 35 HN LYS 35 9.412 -8.128 2.149 186 HA LYS 35 HA LYS 35 9.852 -9.978 3.360 187 HB2 LYS 35 HB2 LYS 35 11.981 -8.225 4.544 188 HB3 LYS 35 HB1 LYS 35 11.857 -9.954 4.831 189 HG2 LYS 35 HG2 LYS 35 12.105 -8.754 2.096 190 HG3 LYS 35 HG1 LYS 35 13.494 -9.252 3.062 191 HD2 LYS 35 HD2 LYS 35 12.588 -11.534 3.145 192 HD3 LYS 35 HD1 LYS 35 11.222 -11.018 2.153 193 HE2 LYS 35 HE2 LYS 35 12.654 -10.543 0.303 194 HE3 LYS 35 HE1 LYS 35 14.096 -10.783 1.290 195 HZ1 LYS 35 HZ1 LYS 35 12.137 -12.865 0.498 196 HZ2 LYS 35 HZ2 LYS 35 13.427 -13.124 1.555 197 HZ3 LYS 35 HZ3 LYS 35 13.726 -12.711 -0.056 198 H LEU 36 HN LEU 36 7.937 -7.976 4.330 199 HA LEU 36 HA LEU 36 8.022 -8.430 7.208 200 HB2 LEU 36 HB2 LEU 36 5.959 -6.770 6.955 201 HB3 LEU 36 HB1 LEU 36 7.615 -6.194 7.015 202 HG LEU 36 HG LEU 36 7.585 -6.181 4.489 203 HD11 LEU 36 HD11 LEU 36 5.465 -6.195 3.366 204 HD12 LEU 36 HD12 LEU 36 4.623 -6.437 4.895 205 HD13 LEU 36 HD13 LEU 36 5.660 -7.709 4.253 206 HD21 LEU 36 HD21 LEU 36 7.317 -4.171 5.883 207 HD22 LEU 36 HD22 LEU 36 5.566 -4.412 5.849 208 HD23 LEU 36 HD23 LEU 36 6.445 -4.072 4.354 209 H ASP 37 HN ASP 37 5.382 -8.243 7.799 210 HA ASP 37 HA ASP 37 3.968 -10.286 6.286 211 HB2 ASP 37 HB2 ASP 37 5.251 -11.541 7.980 212 HB3 ASP 37 HB1 ASP 37 4.552 -10.541 9.247 213 H LEU 38 HN LEU 38 2.362 -8.913 5.760 214 HA LEU 38 HA LEU 38 0.945 -7.598 7.969 215 HB2 LEU 38 HB2 LEU 38 0.813 -5.568 6.868 216 HB3 LEU 38 HB1 LEU 38 2.416 -6.085 6.512 217 HG LEU 38 HG LEU 38 0.132 -6.267 4.667 218 HD11 LEU 38 HD11 LEU 38 1.355 -4.523 3.432 219 HD12 LEU 38 HD12 LEU 38 2.524 -4.459 4.755 220 HD13 LEU 38 HD13 LEU 38 0.840 -3.996 5.036 221 HD21 LEU 38 HD21 LEU 38 3.018 -7.024 4.322 222 HD22 LEU 38 HD22 LEU 38 1.905 -6.799 2.976 223 HD23 LEU 38 HD23 LEU 38 1.611 -8.072 4.161 224 H SER 39 HN SER 39 -1.222 -7.038 7.508 225 HA SER 39 HA SER 39 -2.487 -8.804 5.567 226 HB2 SER 39 HB2 SER 39 -4.625 -7.831 6.517 227 HB3 SER 39 HB1 SER 39 -3.651 -8.734 7.665 228 HG SER 39 HG SER 39 -2.721 -6.431 8.036 229 H VAL 40 HN VAL 40 -3.901 -7.911 3.908 230 HA VAL 40 HA VAL 40 -2.875 -5.827 2.507 231 HB VAL 40 HB VAL 40 -4.872 -7.514 2.014 232 HG11 VAL 40 HG11 VAL 40 -6.555 -6.467 3.390 233 HG12 VAL 40 HG12 VAL 40 -6.983 -6.268 1.691 234 HG13 VAL 40 HG13 VAL 40 -6.294 -4.918 2.591 235 HG21 VAL 40 HG21 VAL 40 -3.545 -6.317 0.425 236 HG22 VAL 40 HG22 VAL 40 -4.490 -4.844 0.708 237 HG23 VAL 40 HG23 VAL 40 -5.250 -6.259 -0.023 238 H GLU 41 HN GLU 41 -5.191 -5.677 5.129 239 HA GLU 41 HA GLU 41 -6.063 -3.063 4.869 240 HB2 GLU 41 HB2 GLU 41 -5.444 -4.444 7.488 241 HB3 GLU 41 HB1 GLU 41 -6.599 -3.139 7.215 242 HG2 GLU 41 HG2 GLU 41 -7.986 -4.591 5.878 243 HG3 GLU 41 HG1 GLU 41 -6.806 -5.891 6.007 244 H ASP 42 HN ASP 42 -3.250 -4.218 6.757 245 HA ASP 42 HA ASP 42 -2.237 -1.783 7.505 246 HB2 ASP 42 HB2 ASP 42 -0.571 -4.162 6.661 247 HB3 ASP 42 HB1 ASP 42 -0.093 -2.883 7.761 248 H PHE 43 HN PHE 43 -1.724 -3.524 4.446 249 HA PHE 43 HA PHE 43 0.131 -1.747 3.301 250 HB2 PHE 43 HB2 PHE 43 -0.246 -3.838 2.190 251 HB3 PHE 43 HB1 PHE 43 -1.964 -3.510 2.028 252 HD1 PHE 43 HD2 PHE 43 -2.607 -1.426 0.530 253 HD2 PHE 43 HD1 PHE 43 1.171 -3.392 0.377 254 HE1 PHE 43 HE2 PHE 43 -2.251 -0.530 -1.711 255 HE2 PHE 43 HE1 PHE 43 1.523 -2.498 -1.889 256 HZ PHE 43 HZ PHE 43 -0.209 -1.071 -2.945 257 H LEU 44 HN LEU 44 -3.368 -1.931 3.127 258 HA LEU 44 HA LEU 44 -3.788 0.176 1.366 259 HB2 LEU 44 HB2 LEU 44 -5.714 -0.603 3.556 260 HB3 LEU 44 HB1 LEU 44 -6.105 0.062 1.980 261 HG LEU 44 HG LEU 44 -5.416 -2.722 2.745 262 HD11 LEU 44 HD11 LEU 44 -7.377 -1.438 0.872 263 HD12 LEU 44 HD12 LEU 44 -7.707 -2.232 2.412 264 HD13 LEU 44 HD13 LEU 44 -7.149 -3.187 1.024 265 HD21 LEU 44 HD21 LEU 44 -3.780 -2.645 1.174 266 HD22 LEU 44 HD22 LEU 44 -4.598 -1.418 0.206 267 HD23 LEU 44 HD23 LEU 44 -5.168 -3.089 0.182 268 H MET 45 HN MET 45 -3.352 0.124 4.836 269 HA MET 45 HA MET 45 -3.940 2.837 5.365 270 HB2 MET 45 HB2 MET 45 -1.849 1.140 6.738 271 HB3 MET 45 HB1 MET 45 -2.606 2.589 7.379 272 HG2 MET 45 HG2 MET 45 -4.765 1.413 7.392 273 HG3 MET 45 HG1 MET 45 -3.945 -0.042 6.833 274 HE1 MET 45 HE1 MET 45 -3.269 1.924 10.958 275 HE2 MET 45 HE2 MET 45 -4.442 2.489 9.767 276 HE3 MET 45 HE3 MET 45 -2.715 2.664 9.458 277 H LEU 46 HN LEU 46 -0.749 1.307 4.997 278 HA LEU 46 HA LEU 46 0.877 3.504 4.870 279 HB2 LEU 46 HB2 LEU 46 1.184 1.120 3.046 280 HB3 LEU 46 HB1 LEU 46 2.455 2.178 3.618 281 HG LEU 46 HG LEU 46 0.932 0.116 5.191 282 HD11 LEU 46 HD11 LEU 46 3.880 0.451 4.744 283 HD12 LEU 46 HD12 LEU 46 2.843 -0.596 3.778 284 HD13 LEU 46 HD13 LEU 46 3.050 -0.908 5.501 285 HD21 LEU 46 HD21 LEU 46 3.051 1.881 6.343 286 HD22 LEU 46 HD22 LEU 46 1.842 0.895 7.172 287 HD23 LEU 46 HD23 LEU 46 1.359 2.388 6.350 288 H ARG 47 HN ARG 47 -0.605 1.887 2.124 289 HA ARG 47 HA ARG 47 0.177 3.666 0.128 290 HB2 ARG 47 HB2 ARG 47 -0.646 1.658 -0.640 291 HB3 ARG 47 HB1 ARG 47 -2.028 1.680 0.448 292 HG2 ARG 47 HG2 ARG 47 -2.433 3.867 -1.157 293 HG3 ARG 47 HG1 ARG 47 -1.761 2.670 -2.260 294 HD2 ARG 47 HD2 ARG 47 -3.452 1.055 -1.273 295 HD3 ARG 47 HD1 ARG 47 -4.217 2.470 -0.541 296 HE ARG 47 HE ARG 47 -3.742 2.369 -3.440 297 HH11 ARG 47 HH11 ARG 47 -5.989 2.680 -0.763 298 HH12 ARG 47 HH12 ARG 47 -7.374 2.863 -1.795 299 HH21 ARG 47 HH21 ARG 47 -5.522 2.589 -4.759 300 HH22 ARG 47 HH22 ARG 47 -7.111 2.856 -4.080 301 H HIS 48 HN HIS 48 -2.965 3.472 1.787 302 HA HIS 48 HA HIS 48 -4.242 5.684 0.940 303 HB2 HIS 48 HB2 HIS 48 -4.122 4.376 3.597 304 HB3 HIS 48 HB1 HIS 48 -4.876 5.967 3.521 305 HD1 HIS 48 HD1 HIS 48 -6.628 3.697 4.305 306 HD2 HIS 48 HD2 HIS 48 -6.022 4.762 0.341 307 HE1 HIS 48 HE1 HIS 48 -8.584 2.747 3.056 308 HE2 HIS 48 HE2 HIS 48 -8.295 3.563 0.692 309 H ARG 49 HN ARG 49 -1.899 5.800 3.667 310 HA ARG 49 HA ARG 49 -2.260 8.556 4.095 311 HB2 ARG 49 HB2 ARG 49 0.275 7.030 4.609 312 HB3 ARG 49 HB1 ARG 49 -0.248 8.530 5.383 313 HG2 ARG 49 HG2 ARG 49 -2.239 7.213 6.243 314 HG3 ARG 49 HG1 ARG 49 -1.379 5.761 5.711 315 HD2 ARG 49 HD2 ARG 49 0.587 6.879 7.004 316 HD3 ARG 49 HD1 ARG 49 -0.712 7.689 7.862 317 HE ARG 49 HE ARG 49 -0.510 4.744 7.698 318 HH11 ARG 49 HH11 ARG 49 -1.065 7.686 9.532 319 HH12 ARG 49 HH12 ARG 49 -1.334 6.855 11.028 320 HH21 ARG 49 HH21 ARG 49 -0.891 3.658 9.679 321 HH22 ARG 49 HH22 ARG 49 -1.246 4.572 11.108 322 H ALA 50 HN ALA 50 0.116 6.786 2.186 323 HA ALA 50 HA ALA 50 1.592 8.957 1.216 324 HB1 ALA 50 HB1 ALA 50 2.374 6.660 1.053 325 HB2 ALA 50 HB2 ALA 50 2.349 7.420 -0.539 326 HB3 ALA 50 HB3 ALA 50 1.078 6.286 -0.083 327 H ALA 51 HN ALA 51 -0.929 7.107 -0.526 328 HA ALA 51 HA ALA 51 -1.182 8.717 -2.729 329 HB1 ALA 51 HB1 ALA 51 -3.319 7.662 -3.085 330 HB2 ALA 51 HB2 ALA 51 -3.405 7.186 -1.390 331 HB3 ALA 51 HB3 ALA 51 -2.181 6.474 -2.447 332 H LEU 52 HN LEU 52 -2.747 9.078 0.415 333 HA LEU 52 HA LEU 52 -4.538 11.110 -0.578 334 HB2 LEU 52 HB2 LEU 52 -4.062 10.404 2.311 335 HB3 LEU 52 HB1 LEU 52 -5.491 11.128 1.591 336 HG LEU 52 HG LEU 52 -4.543 8.310 1.111 337 HD11 LEU 52 HD11 LEU 52 -6.470 7.625 2.410 338 HD12 LEU 52 HD12 LEU 52 -6.849 9.315 2.757 339 HD13 LEU 52 HD13 LEU 52 -5.352 8.600 3.370 340 HD21 LEU 52 HD21 LEU 52 -6.940 9.823 0.133 341 HD22 LEU 52 HD22 LEU 52 -6.799 8.062 0.075 342 HD23 LEU 52 HD23 LEU 52 -5.659 9.069 -0.821 343 H GLY 53 HN GLY 53 -2.334 11.281 2.252 344 HA2 GLY 53 HA2 GLY 53 -0.536 13.109 1.269 345 HA3 GLY 53 HA1 GLY 53 -1.892 14.072 1.826 346 H ALA 54 HN ALA 54 -1.035 11.090 3.461 347 HA ALA 54 HA ALA 54 -0.051 12.664 5.716 348 HB1 ALA 54 HB1 ALA 54 -1.403 9.998 5.586 349 HB2 ALA 54 HB2 ALA 54 -1.986 11.479 6.342 350 HB3 ALA 54 HB3 ALA 54 -0.620 10.611 7.040 351 H ASP 55 HN ASP 55 1.848 12.240 6.651 352 HA ASP 55 HA ASP 55 3.566 10.258 5.336 353 HB2 ASP 55 HB2 ASP 55 4.204 13.035 6.300 354 HB3 ASP 55 HB1 ASP 55 5.464 11.834 6.043 355 H ASP 56 HN ASP 56 2.147 9.367 7.404 356 HA ASP 56 HA ASP 56 3.738 9.364 9.802 357 HB2 ASP 56 HB2 ASP 56 1.224 8.708 9.524 358 HB3 ASP 56 HB1 ASP 56 1.868 7.134 9.070 359 H ASN 57 HN ASN 57 5.464 8.114 10.258 360 HA ASN 57 HA ASN 57 7.152 7.355 8.400 361 HB2 ASN 57 HB2 ASN 57 8.422 6.131 9.951 362 HB3 ASN 57 HB1 ASN 57 7.704 7.498 10.777 363 HD21 ASN 57 HD21 ASN 57 7.770 4.055 10.460 364 HD22 ASN 57 HD22 ASN 57 6.863 3.702 11.877 365 H ASP 58 HN ASP 58 4.796 4.938 9.642 366 HA ASP 58 HA ASP 58 6.040 2.768 8.321 367 HB2 ASP 58 HB2 ASP 58 3.729 1.690 8.438 368 HB3 ASP 58 HB1 ASP 58 4.476 2.145 9.961 369 H ALA 59 HN ALA 59 3.652 5.033 7.372 370 HA ALA 59 HA ALA 59 3.216 4.012 4.745 371 HB1 ALA 59 HB1 ALA 59 2.075 6.104 4.320 372 HB2 ALA 59 HB2 ALA 59 2.717 6.770 5.824 373 HB3 ALA 59 HB3 ALA 59 1.586 5.402 5.867 374 H VAL 60 HN VAL 60 5.546 6.288 6.124 375 HA VAL 60 HA VAL 60 6.233 7.349 3.556 376 HB VAL 60 HB VAL 60 7.962 8.590 4.550 377 HG11 VAL 60 HG11 VAL 60 5.648 8.324 6.439 378 HG12 VAL 60 HG12 VAL 60 5.846 9.475 5.115 379 HG13 VAL 60 HG13 VAL 60 6.861 9.602 6.553 380 HG21 VAL 60 HG21 VAL 60 8.661 8.234 6.940 381 HG22 VAL 60 HG22 VAL 60 9.215 7.044 5.762 382 HG23 VAL 60 HG23 VAL 60 7.868 6.660 6.831 383 H LYS 61 HN LYS 61 7.620 4.933 5.734 384 HA LYS 61 HA LYS 61 9.784 4.216 4.081 385 HB2 LYS 61 HB2 LYS 61 8.226 2.601 6.100 386 HB3 LYS 61 HB1 LYS 61 9.772 2.117 5.405 387 HG2 LYS 61 HG2 LYS 61 10.901 3.873 6.448 388 HG3 LYS 61 HG1 LYS 61 9.396 4.731 6.818 389 HD2 LYS 61 HD2 LYS 61 8.786 2.801 8.310 390 HD3 LYS 61 HD1 LYS 61 10.412 2.158 8.043 391 HE2 LYS 61 HE2 LYS 61 11.309 4.330 8.861 392 HE3 LYS 61 HE1 LYS 61 9.659 4.782 9.277 393 HZ1 LYS 61 HZ1 LYS 61 11.183 2.495 10.400 394 HZ2 LYS 61 HZ2 LYS 61 9.573 2.851 10.769 395 HZ3 LYS 61 HZ3 LYS 61 10.801 3.930 11.206 396 H PHE 62 HN PHE 62 6.404 3.458 3.982 397 HA PHE 62 HA PHE 62 6.512 1.313 2.150 398 HB2 PHE 62 HB2 PHE 62 4.493 1.800 3.428 399 HB3 PHE 62 HB1 PHE 62 4.349 3.371 2.650 400 HD1 PHE 62 HD2 PHE 62 4.151 -0.259 2.110 401 HD2 PHE 62 HD1 PHE 62 3.316 3.596 0.532 402 HE1 PHE 62 HE2 PHE 62 2.783 -1.285 0.342 403 HE2 PHE 62 HE1 PHE 62 1.941 2.583 -1.237 404 HZ PHE 62 HZ PHE 62 1.675 0.137 -1.333 405 H ARG 63 HN ARG 63 5.741 4.764 1.616 406 HA ARG 63 HA ARG 63 5.718 4.524 -1.157 407 HB2 ARG 63 HB2 ARG 63 5.889 7.028 -1.128 408 HB3 ARG 63 HB1 ARG 63 4.519 6.269 -0.370 409 HG2 ARG 63 HG2 ARG 63 4.959 7.714 1.227 410 HG3 ARG 63 HG1 ARG 63 6.093 6.476 1.745 411 HD2 ARG 63 HD2 ARG 63 7.910 7.643 1.011 412 HD3 ARG 63 HD1 ARG 63 6.988 8.495 -0.227 413 HE ARG 63 HE ARG 63 5.943 9.528 1.999 414 HH11 ARG 63 HH11 ARG 63 9.278 9.053 1.047 415 HH12 ARG 63 HH12 ARG 63 9.878 10.325 2.057 416 HH21 ARG 63 HH21 ARG 63 6.718 11.220 3.313 417 HH22 ARG 63 HH22 ARG 63 8.426 11.557 3.352 418 H SER 64 HN SER 64 8.209 5.906 0.873 419 HA SER 64 HA SER 64 10.149 6.469 -0.917 420 HB2 SER 64 HB2 SER 64 11.858 5.739 0.779 421 HB3 SER 64 HB1 SER 64 10.597 6.803 1.403 422 HG SER 64 HG SER 64 9.708 5.163 2.485 423 H TRP 65 HN TRP 65 9.330 3.184 0.114 424 HA TRP 65 HA TRP 65 11.298 2.008 -1.653 425 HB2 TRP 65 HB2 TRP 65 11.111 0.739 0.237 426 HB3 TRP 65 HB1 TRP 65 9.394 1.062 0.414 427 HD1 TRP 65 HD1 TRP 65 11.810 -1.337 -1.325 428 HE1 TRP 65 HE1 TRP 65 10.463 -3.412 -2.092 429 HE3 TRP 65 HE3 TRP 65 7.174 0.373 -0.310 430 HZ2 TRP 65 HZ2 TRP 65 7.738 -4.162 -2.263 431 HZ3 TRP 65 HZ3 TRP 65 5.226 -1.056 -0.794 432 HH2 TRP 65 HH2 TRP 65 5.510 -3.280 -1.752 433 H TRP 66 HN TRP 66 7.795 2.416 -1.595 434 HA TRP 66 HA TRP 66 7.354 0.636 -3.812 435 HB2 TRP 66 HB2 TRP 66 5.786 1.136 -1.842 436 HB3 TRP 66 HB1 TRP 66 5.389 2.630 -2.682 437 HD1 TRP 66 HD1 TRP 66 3.057 2.300 -3.592 438 HE1 TRP 66 HE1 TRP 66 1.812 0.523 -4.926 439 HE3 TRP 66 HE3 TRP 66 6.692 -1.264 -3.762 440 HZ2 TRP 66 HZ2 TRP 66 2.283 -2.016 -5.924 441 HZ3 TRP 66 HZ3 TRP 66 6.207 -3.362 -4.949 442 HH2 TRP 66 HH2 TRP 66 4.049 -3.738 -6.006 443 H ASN 67 HN ASN 67 8.027 4.017 -3.494 444 HA ASN 67 HA ASN 67 6.751 4.749 -5.985 445 HB2 ASN 67 HB2 ASN 67 8.203 6.213 -3.856 446 HB3 ASN 67 HB1 ASN 67 7.955 6.956 -5.440 447 HD21 ASN 67 HD21 ASN 67 6.796 7.411 -2.718 448 HD22 ASN 67 HD22 ASN 67 5.099 7.359 -2.990 449 H SER 68 HN SER 68 9.579 3.276 -5.131 450 HA SER 68 HA SER 68 11.153 4.605 -7.194 451 HB2 SER 68 HB2 SER 68 12.222 4.181 -4.980 452 HB3 SER 68 HB1 SER 68 11.994 2.450 -5.230 453 HG SER 68 HG SER 68 13.406 4.057 -7.080 454 H ARG 69 HN ARG 69 9.089 2.019 -6.736 455 HA ARG 69 HA ARG 69 10.299 0.479 -8.916 456 HB2 ARG 69 HB2 ARG 69 8.876 -1.432 -7.818 457 HB3 ARG 69 HB1 ARG 69 10.458 -1.024 -7.196 458 HG2 ARG 69 HG2 ARG 69 9.388 0.327 -5.444 459 HG3 ARG 69 HG1 ARG 69 7.815 -0.183 -6.056 460 HD2 ARG 69 HD2 ARG 69 8.561 -1.522 -4.125 461 HD3 ARG 69 HD1 ARG 69 8.317 -2.487 -5.580 462 HE ARG 69 HE ARG 69 11.015 -1.580 -4.821 463 HH11 ARG 69 HH11 ARG 69 8.752 -4.168 -5.515 464 HH12 ARG 69 HH12 ARG 69 9.964 -5.405 -5.494 465 HH21 ARG 69 HH21 ARG 69 12.616 -3.220 -4.793 466 HH22 ARG 69 HH22 ARG 69 12.162 -4.870 -5.080 467 H THR 70 HN THR 70 7.184 0.760 -7.288 468 HA THR 70 HA THR 70 5.806 0.413 -9.851 469 HB THR 70 HB THR 70 4.675 0.464 -7.058 470 HG1 THR 70 HG1 THR 70 4.549 -1.971 -8.057 471 HG21 THR 70 HG21 THR 70 3.511 -0.326 -9.715 472 HG22 THR 70 HG22 THR 70 2.979 0.959 -8.627 473 HG23 THR 70 HG23 THR 70 2.778 -0.732 -8.162 474 H LYS 71 HN LYS 71 5.589 2.402 -6.951 475 HA LYS 71 HA LYS 71 4.783 4.481 -6.551 476 HB2 LYS 71 HB2 LYS 71 4.606 4.768 -9.523 477 HB3 LYS 71 HB1 LYS 71 4.457 6.039 -8.331 478 HG2 LYS 71 HG2 LYS 71 6.728 5.750 -7.630 479 HG3 LYS 71 HG1 LYS 71 6.912 4.361 -8.698 480 HD2 LYS 71 HD2 LYS 71 7.960 6.351 -9.623 481 HD3 LYS 71 HD1 LYS 71 6.612 5.811 -10.635 482 HE2 LYS 71 HE2 LYS 71 5.169 7.490 -9.536 483 HE3 LYS 71 HE1 LYS 71 6.566 8.058 -8.625 484 HZ1 LYS 71 HZ1 LYS 71 6.249 8.121 -11.578 485 HZ2 LYS 71 HZ2 LYS 71 7.641 8.593 -10.749 486 HZ3 LYS 71 HZ3 LYS 71 6.203 9.452 -10.537 487 H MET 72 HN MET 72 3.309 2.087 -6.807 488 HA MET 72 HA MET 72 1.259 1.233 -6.678 489 HB2 MET 72 HB2 MET 72 -0.402 3.306 -5.880 490 HB3 MET 72 HB1 MET 72 0.475 2.171 -4.868 491 HG2 MET 72 HG2 MET 72 2.142 3.677 -4.385 492 HG3 MET 72 HG1 MET 72 1.802 4.691 -5.785 493 HE1 MET 72 HE1 MET 72 2.345 5.844 -2.877 494 HE2 MET 72 HE2 MET 72 1.074 7.059 -2.744 495 HE3 MET 72 HE3 MET 72 1.950 6.863 -4.261 496 H ALA 73 HN ALA 73 0.383 4.478 -7.843 497 HA ALA 73 HA ALA 73 -1.020 5.068 -9.611 498 HB1 ALA 73 HB1 ALA 73 -0.702 2.965 -10.854 499 HB2 ALA 73 HB2 ALA 73 -2.374 3.514 -10.854 500 HB3 ALA 73 HB3 ALA 73 -1.884 2.190 -9.799 501 H ASN 74 HN ASN 74 -1.644 6.139 -7.813 502 HA ASN 74 HA ASN 74 -2.939 5.269 -5.595 503 HB2 ASN 74 HB2 ASN 74 -3.331 7.963 -6.917 504 HB3 ASN 74 HB1 ASN 74 -3.634 7.590 -5.225 505 HD21 ASN 74 HD21 ASN 74 -2.178 9.072 -4.446 506 HD22 ASN 74 HD22 ASN 74 -0.468 8.889 -4.609 507 H ASP 75 HN ASP 75 -4.465 3.717 -6.222 508 HA ASP 75 HA ASP 75 -6.585 2.949 -6.388 509 HB2 ASP 75 HB2 ASP 75 -6.933 5.131 -4.961 510 HB3 ASP 75 HB1 ASP 75 -7.723 5.716 -6.422 511 H TYR 76 HN TYR 76 -4.965 4.013 -8.786 512 HA TYR 76 HA TYR 76 -7.138 4.524 -10.666 513 HB2 TYR 76 HB2 TYR 76 -4.161 4.316 -11.056 514 HB3 TYR 76 HB1 TYR 76 -5.313 4.675 -12.337 515 HD1 TYR 76 HD1 TYR 76 -6.860 6.736 -11.917 516 HD2 TYR 76 HD2 TYR 76 -3.191 6.066 -9.879 517 HE1 TYR 76 HE1 TYR 76 -6.741 9.113 -11.362 518 HE2 TYR 76 HE2 TYR 76 -3.061 8.447 -9.319 519 HH TYR 76 HH TYR 76 -3.978 10.619 -10.269 Start of MODEL 7 1 H1 GLY 10 HT1 GLY 10 -11.490 7.654 -3.869 2 H2 GLY 10 HT2 GLY 10 -12.794 6.834 -3.174 3 H3 GLY 10 HT3 GLY 10 -11.806 6.049 -4.293 4 HA2 GLY 10 HA1 GLY 10 -9.922 6.229 -2.772 5 HA3 GLY 10 HA2 GLY 10 -11.000 6.970 -1.598 6 H THR 11 HN THR 11 -9.870 4.908 -0.551 7 HA THR 11 HA THR 11 -11.752 2.693 -0.873 8 HB THR 11 HB THR 11 -9.460 1.721 0.404 9 HG1 THR 11 HG1 THR 11 -8.761 3.249 -1.905 10 HG21 THR 11 HG21 THR 11 -10.800 0.371 -1.006 11 HG22 THR 11 HG22 THR 11 -9.194 0.460 -1.741 12 HG23 THR 11 HG23 THR 11 -10.513 1.427 -2.394 13 H TYR 12 HN TYR 12 -10.588 1.357 1.344 14 HA TYR 12 HA TYR 12 -11.498 2.911 3.632 15 HB2 TYR 12 HB2 TYR 12 -12.470 0.131 3.221 16 HB3 TYR 12 HB1 TYR 12 -13.161 1.404 4.220 17 HD1 TYR 12 HD2 TYR 12 -14.500 3.179 3.201 18 HD2 TYR 12 HD1 TYR 12 -13.018 -0.065 0.916 19 HE1 TYR 12 HE2 TYR 12 -16.066 3.747 1.393 20 HE2 TYR 12 HE1 TYR 12 -14.553 0.479 -0.899 21 HH TYR 12 HH TYR 12 -16.260 3.421 -1.041 22 H ARG 13 HN ARG 13 -11.498 0.878 5.481 23 HA ARG 13 HA ARG 13 -9.474 -1.082 4.993 24 HB2 ARG 13 HB2 ARG 13 -8.063 0.840 5.610 25 HB3 ARG 13 HB1 ARG 13 -8.944 0.981 7.126 26 HG2 ARG 13 HG2 ARG 13 -8.238 -1.351 7.662 27 HG3 ARG 13 HG1 ARG 13 -7.190 -1.296 6.244 28 HD2 ARG 13 HD2 ARG 13 -5.776 -0.700 7.961 29 HD3 ARG 13 HD1 ARG 13 -6.270 0.852 7.294 30 HE ARG 13 HE ARG 13 -7.505 -0.306 9.711 31 HH11 ARG 13 HH11 ARG 13 -6.184 2.432 7.969 32 HH12 ARG 13 HH12 ARG 13 -6.408 3.536 9.286 33 HH21 ARG 13 HH21 ARG 13 -7.790 1.143 11.443 34 HH22 ARG 13 HH22 ARG 13 -7.321 2.803 11.263 35 H GLY 14 HN GLY 14 -9.561 -2.778 6.469 36 HA2 GLY 14 HA2 GLY 14 -10.549 -4.156 8.016 37 HA3 GLY 14 HA1 GLY 14 -10.842 -2.705 8.962 38 H ARG 15 HN ARG 15 -12.095 -3.614 5.787 39 HA ARG 15 HA ARG 15 -14.722 -4.061 6.876 40 HB2 ARG 15 HB2 ARG 15 -15.763 -2.376 5.310 41 HB3 ARG 15 HB1 ARG 15 -14.899 -1.694 6.676 42 HG2 ARG 15 HG2 ARG 15 -14.093 -0.347 5.071 43 HG3 ARG 15 HG1 ARG 15 -12.932 -1.660 4.893 44 HD2 ARG 15 HD2 ARG 15 -13.859 -0.851 2.734 45 HD3 ARG 15 HD1 ARG 15 -14.166 -2.572 3.042 46 HE ARG 15 HE ARG 15 -16.314 -0.928 3.954 47 HH11 ARG 15 HH11 ARG 15 -14.954 -2.371 1.067 48 HH12 ARG 15 HH12 ARG 15 -16.477 -2.466 0.249 49 HH21 ARG 15 HH21 ARG 15 -18.310 -1.067 2.888 50 HH22 ARG 15 HH22 ARG 15 -18.386 -1.719 1.280 51 H GLY 16 HN GLY 16 -12.876 -5.718 5.592 52 HA2 GLY 16 HA2 GLY 16 -12.864 -7.323 3.939 53 HA3 GLY 16 HA1 GLY 16 -14.457 -6.752 3.459 54 H VAL 17 HN VAL 17 -11.779 -4.588 3.702 55 HA VAL 17 HA VAL 17 -12.127 -3.423 1.241 56 HB VAL 17 HB VAL 17 -9.590 -2.797 1.394 57 HG11 VAL 17 HG11 VAL 17 -11.521 -1.376 1.804 58 HG12 VAL 17 HG12 VAL 17 -10.191 -1.034 2.924 59 HG13 VAL 17 HG13 VAL 17 -11.593 -1.955 3.471 60 HG21 VAL 17 HG21 VAL 17 -8.857 -2.889 3.809 61 HG22 VAL 17 HG22 VAL 17 -8.827 -4.426 2.937 62 HG23 VAL 17 HG23 VAL 17 -10.136 -4.075 4.070 63 H ALA 18 HN ALA 18 -11.777 -3.847 -0.696 64 HA ALA 18 HA ALA 18 -10.187 -6.208 -1.410 65 HB1 ALA 18 HB1 ALA 18 -11.388 -6.161 -3.553 66 HB2 ALA 18 HB2 ALA 18 -12.265 -4.725 -3.024 67 HB3 ALA 18 HB3 ALA 18 -12.501 -6.261 -2.189 68 H LEU 19 HN LEU 19 -10.338 -2.818 -1.532 69 HA LEU 19 HA LEU 19 -8.902 -1.227 -2.225 70 HB2 LEU 19 HB2 LEU 19 -7.395 -2.693 -0.994 71 HB3 LEU 19 HB1 LEU 19 -7.083 -3.600 -2.425 72 HG LEU 19 HG LEU 19 -5.280 -2.105 -1.660 73 HD11 LEU 19 HD11 LEU 19 -4.745 -2.531 -3.745 74 HD12 LEU 19 HD12 LEU 19 -5.282 -0.875 -4.050 75 HD13 LEU 19 HD13 LEU 19 -6.376 -2.225 -4.328 76 HD21 LEU 19 HD21 LEU 19 -5.385 0.236 -1.942 77 HD22 LEU 19 HD22 LEU 19 -6.726 -0.266 -0.912 78 HD23 LEU 19 HD23 LEU 19 -7.018 0.135 -2.606 79 H THR 20 HN THR 20 -7.724 -0.423 -4.245 80 HA THR 20 HA THR 20 -9.131 -1.108 -6.554 81 HB THR 20 HB THR 20 -8.111 1.059 -6.431 82 HG1 THR 20 HG1 THR 20 -6.604 0.570 -8.498 83 HG21 THR 20 HG21 THR 20 -5.447 -0.334 -6.561 84 HG22 THR 20 HG22 THR 20 -6.124 0.463 -5.141 85 HG23 THR 20 HG23 THR 20 -5.717 1.413 -6.570 86 H ASP 21 HN ASP 21 -7.807 -1.783 -8.668 87 HA ASP 21 HA ASP 21 -7.588 -4.552 -8.161 88 HB2 ASP 21 HB2 ASP 21 -7.121 -4.799 -10.568 89 HB3 ASP 21 HB1 ASP 21 -8.510 -3.768 -10.255 90 H ASP 22 HN ASP 22 -5.056 -2.167 -8.884 91 HA ASP 22 HA ASP 22 -3.103 -4.239 -9.278 92 HB2 ASP 22 HB2 ASP 22 -3.080 -2.068 -10.497 93 HB3 ASP 22 HB1 ASP 22 -2.646 -1.284 -8.986 94 H GLU 23 HN GLU 23 -3.165 -1.541 -7.001 95 HA GLU 23 HA GLU 23 -1.055 -2.151 -5.430 96 HB2 GLU 23 HB2 GLU 23 -3.593 -1.194 -4.124 97 HB3 GLU 23 HB1 GLU 23 -1.928 -0.849 -3.678 98 HG2 GLU 23 HG2 GLU 23 -1.615 0.458 -5.697 99 HG3 GLU 23 HG1 GLU 23 -3.279 0.125 -6.180 100 H TYR 24 HN TYR 24 -4.235 -3.708 -5.074 101 HA TYR 24 HA TYR 24 -3.708 -4.905 -2.578 102 HB2 TYR 24 HB2 TYR 24 -5.950 -4.602 -3.603 103 HB3 TYR 24 HB1 TYR 24 -5.554 -5.844 -4.785 104 HD1 TYR 24 HD2 TYR 24 -5.262 -8.276 -4.003 105 HD2 TYR 24 HD1 TYR 24 -6.736 -5.170 -1.451 106 HE1 TYR 24 HE2 TYR 24 -6.139 -9.952 -2.440 107 HE2 TYR 24 HE1 TYR 24 -7.607 -6.859 0.100 108 HH TYR 24 HH TYR 24 -8.318 -9.210 0.052 109 H ASP 25 HN ASP 25 -3.795 -6.497 -5.749 110 HA ASP 25 HA ASP 25 -2.343 -8.772 -5.183 111 HB2 ASP 25 HB2 ASP 25 -2.733 -7.173 -7.644 112 HB3 ASP 25 HB1 ASP 25 -1.364 -8.281 -7.656 113 H GLU 26 HN GLU 26 -1.069 -5.561 -5.893 114 HA GLU 26 HA GLU 26 1.661 -6.329 -5.914 115 HB2 GLU 26 HB2 GLU 26 0.386 -3.640 -5.437 116 HB3 GLU 26 HB1 GLU 26 2.101 -3.903 -5.713 117 HG2 GLU 26 HG2 GLU 26 -0.149 -4.431 -7.635 118 HG3 GLU 26 HG1 GLU 26 1.063 -3.157 -7.739 119 H TRP 27 HN TRP 27 -0.559 -5.584 -3.356 120 HA TRP 27 HA TRP 27 1.278 -5.073 -1.282 121 HB2 TRP 27 HB2 TRP 27 -0.816 -4.607 -0.526 122 HB3 TRP 27 HB1 TRP 27 -1.559 -5.870 -1.496 123 HD1 TRP 27 HD1 TRP 27 0.434 -5.555 1.861 124 HE1 TRP 27 HE1 TRP 27 -0.443 -7.396 3.425 125 HE3 TRP 27 HE3 TRP 27 -2.718 -7.978 -1.374 126 HZ2 TRP 27 HZ2 TRP 27 -2.235 -9.542 3.312 127 HZ3 TRP 27 HZ3 TRP 27 -3.971 -9.928 -0.555 128 HH2 TRP 27 HH2 TRP 27 -3.723 -10.704 1.745 129 H ARG 28 HN ARG 28 0.012 -8.031 -2.672 130 HA ARG 28 HA ARG 28 1.143 -9.817 -0.819 131 HB2 ARG 28 HB2 ARG 28 0.719 -10.311 -3.772 132 HB3 ARG 28 HB1 ARG 28 0.801 -11.519 -2.498 133 HG2 ARG 28 HG2 ARG 28 -1.256 -10.316 -1.521 134 HG3 ARG 28 HG1 ARG 28 -1.384 -9.574 -3.115 135 HD2 ARG 28 HD2 ARG 28 -1.450 -12.515 -2.469 136 HD3 ARG 28 HD1 ARG 28 -2.781 -11.524 -3.061 137 HE ARG 28 HE ARG 28 -0.683 -11.369 -4.907 138 HH11 ARG 28 HH11 ARG 28 -2.966 -13.730 -3.680 139 HH12 ARG 28 HH12 ARG 28 -2.965 -14.669 -5.137 140 HH21 ARG 28 HH21 ARG 28 -0.681 -12.604 -6.812 141 HH22 ARG 28 HH22 ARG 28 -1.675 -14.023 -6.925 142 H GLU 29 HN GLU 29 2.413 -8.261 -3.724 143 HA GLU 29 HA GLU 29 4.985 -9.487 -3.612 144 HB2 GLU 29 HB2 GLU 29 4.103 -8.396 -5.643 145 HB3 GLU 29 HB1 GLU 29 4.195 -6.837 -4.834 146 HG2 GLU 29 HG2 GLU 29 6.561 -6.904 -4.772 147 HG3 GLU 29 HG1 GLU 29 6.588 -8.602 -5.261 148 H HIS 30 HN HIS 30 3.668 -6.466 -2.334 149 HA HIS 30 HA HIS 30 5.888 -5.377 -1.119 150 HB2 HIS 30 HB2 HIS 30 3.754 -4.232 -1.058 151 HB3 HIS 30 HB1 HIS 30 3.044 -5.509 -0.085 152 HD1 HIS 30 HD1 HIS 30 2.387 -3.952 1.833 153 HD2 HIS 30 HD2 HIS 30 6.452 -3.868 0.981 154 HE1 HIS 30 HE1 HIS 30 3.436 -2.622 3.700 155 HE2 HIS 30 HE2 HIS 30 5.877 -2.479 3.086 156 H ASN 31 HN ASN 31 3.837 -8.000 0.105 157 HA ASN 31 HA ASN 31 5.067 -8.505 2.533 158 HB2 ASN 31 HB2 ASN 31 3.591 -10.175 0.563 159 HB3 ASN 31 HB1 ASN 31 4.517 -11.021 1.798 160 HD21 ASN 31 HD21 ASN 31 1.618 -10.812 1.336 161 HD22 ASN 31 HD22 ASN 31 0.960 -10.229 2.825 162 H ALA 32 HN ALA 32 5.895 -9.727 -0.660 163 HA ALA 32 HA ALA 32 8.112 -11.286 0.147 164 HB1 ALA 32 HB1 ALA 32 7.545 -10.108 -2.559 165 HB2 ALA 32 HB2 ALA 32 6.869 -11.619 -1.943 166 HB3 ALA 32 HB3 ALA 32 8.607 -11.471 -2.198 167 H SER 33 HN SER 33 8.028 -8.188 -1.618 168 HA SER 33 HA SER 33 10.783 -7.918 -1.841 169 HB2 SER 33 HB2 SER 33 9.212 -6.668 -3.236 170 HB3 SER 33 HB1 SER 33 8.683 -5.743 -1.838 171 HG SER 33 HG SER 33 11.371 -5.806 -2.740 172 H ARG 34 HN ARG 34 8.662 -6.685 0.736 173 HA ARG 34 HA ARG 34 10.910 -5.178 1.804 174 HB2 ARG 34 HB2 ARG 34 7.980 -5.131 2.337 175 HB3 ARG 34 HB1 ARG 34 9.104 -4.413 3.480 176 HG2 ARG 34 HG2 ARG 34 8.774 -3.666 0.583 177 HG3 ARG 34 HG1 ARG 34 8.259 -2.725 1.982 178 HD2 ARG 34 HD2 ARG 34 11.068 -3.354 1.103 179 HD3 ARG 34 HD1 ARG 34 10.292 -1.777 1.192 180 HE ARG 34 HE ARG 34 10.194 -2.703 3.754 181 HH11 ARG 34 HH11 ARG 34 12.775 -2.201 1.442 182 HH12 ARG 34 HH12 ARG 34 13.968 -1.873 2.656 183 HH21 ARG 34 HH21 ARG 34 11.760 -2.302 5.351 184 HH22 ARG 34 HH22 ARG 34 13.390 -1.931 4.885 185 H LYS 35 HN LYS 35 10.093 -8.242 2.075 186 HA LYS 35 HA LYS 35 10.498 -9.903 3.556 187 HB2 LYS 35 HB2 LYS 35 12.434 -7.823 4.519 188 HB3 LYS 35 HB1 LYS 35 12.319 -9.390 5.298 189 HG2 LYS 35 HG2 LYS 35 14.116 -9.523 3.781 190 HG3 LYS 35 HG1 LYS 35 12.787 -10.418 3.046 191 HD2 LYS 35 HD2 LYS 35 12.263 -8.473 1.649 192 HD3 LYS 35 HD1 LYS 35 13.602 -7.589 2.383 193 HE2 LYS 35 HE2 LYS 35 13.859 -10.155 0.820 194 HE3 LYS 35 HE1 LYS 35 14.173 -8.543 0.182 195 HZ1 LYS 35 HZ1 LYS 35 16.208 -9.676 0.856 196 HZ2 LYS 35 HZ2 LYS 35 15.635 -9.804 2.441 197 HZ3 LYS 35 HZ3 LYS 35 15.956 -8.281 1.779 198 H LEU 36 HN LEU 36 8.152 -9.026 4.161 199 HA LEU 36 HA LEU 36 8.065 -8.880 7.044 200 HB2 LEU 36 HB2 LEU 36 6.194 -7.041 6.695 201 HB3 LEU 36 HB1 LEU 36 7.886 -6.593 6.868 202 HG LEU 36 HG LEU 36 8.052 -6.381 4.409 203 HD11 LEU 36 HD11 LEU 36 5.138 -7.087 4.546 204 HD12 LEU 36 HD12 LEU 36 6.417 -7.901 3.646 205 HD13 LEU 36 HD13 LEU 36 5.880 -6.293 3.156 206 HD21 LEU 36 HD21 LEU 36 6.890 -4.317 4.242 207 HD22 LEU 36 HD22 LEU 36 7.437 -4.483 5.912 208 HD23 LEU 36 HD23 LEU 36 5.746 -4.792 5.503 209 H ASP 37 HN ASP 37 5.479 -8.687 7.503 210 HA ASP 37 HA ASP 37 3.975 -10.285 5.595 211 HB2 ASP 37 HB2 ASP 37 5.126 -11.917 7.082 212 HB3 ASP 37 HB1 ASP 37 4.371 -11.148 8.473 213 H LEU 38 HN LEU 38 2.560 -8.625 5.325 214 HA LEU 38 HA LEU 38 1.119 -7.743 7.725 215 HB2 LEU 38 HB2 LEU 38 1.034 -5.538 7.015 216 HB3 LEU 38 HB1 LEU 38 2.640 -6.033 6.642 217 HG LEU 38 HG LEU 38 0.490 -5.955 4.673 218 HD11 LEU 38 HD11 LEU 38 1.539 -3.870 3.909 219 HD12 LEU 38 HD12 LEU 38 2.659 -3.979 5.274 220 HD13 LEU 38 HD13 LEU 38 0.929 -3.739 5.563 221 HD21 LEU 38 HD21 LEU 38 2.318 -6.017 3.037 222 HD22 LEU 38 HD22 LEU 38 2.298 -7.455 4.059 223 HD23 LEU 38 HD23 LEU 38 3.465 -6.170 4.367 224 H SER 39 HN SER 39 -1.024 -7.177 7.456 225 HA SER 39 HA SER 39 -2.359 -8.764 5.448 226 HB2 SER 39 HB2 SER 39 -3.679 -6.949 7.455 227 HB3 SER 39 HB1 SER 39 -4.360 -8.370 6.670 228 HG SER 39 HG SER 39 -3.008 -9.669 7.883 229 H VAL 40 HN VAL 40 -4.342 -7.611 4.350 230 HA VAL 40 HA VAL 40 -3.102 -5.719 2.673 231 HB VAL 40 HB VAL 40 -5.234 -7.360 2.363 232 HG11 VAL 40 HG11 VAL 40 -7.216 -6.010 1.880 233 HG12 VAL 40 HG12 VAL 40 -6.404 -4.584 2.524 234 HG13 VAL 40 HG13 VAL 40 -6.790 -5.932 3.590 235 HG21 VAL 40 HG21 VAL 40 -4.615 -4.905 0.768 236 HG22 VAL 40 HG22 VAL 40 -5.425 -6.361 0.190 237 HG23 VAL 40 HG23 VAL 40 -3.736 -6.438 0.706 238 H GLU 41 HN GLU 41 -5.502 -5.408 5.218 239 HA GLU 41 HA GLU 41 -6.189 -2.771 5.087 240 HB2 GLU 41 HB2 GLU 41 -5.319 -4.054 7.691 241 HB3 GLU 41 HB1 GLU 41 -6.492 -2.764 7.474 242 HG2 GLU 41 HG2 GLU 41 -8.088 -4.246 6.554 243 HG3 GLU 41 HG1 GLU 41 -6.899 -5.540 6.403 244 H ASP 42 HN ASP 42 -3.347 -4.017 6.845 245 HA ASP 42 HA ASP 42 -2.140 -1.648 7.523 246 HB2 ASP 42 HB2 ASP 42 -0.764 -4.223 6.730 247 HB3 ASP 42 HB1 ASP 42 -0.075 -2.938 7.714 248 H PHE 43 HN PHE 43 -1.770 -3.491 4.492 249 HA PHE 43 HA PHE 43 0.142 -1.815 3.302 250 HB2 PHE 43 HB2 PHE 43 -0.345 -3.913 2.238 251 HB3 PHE 43 HB1 PHE 43 -2.038 -3.487 2.044 252 HD1 PHE 43 HD2 PHE 43 -2.649 -1.654 0.428 253 HD2 PHE 43 HD1 PHE 43 1.270 -3.325 0.571 254 HE1 PHE 43 HE2 PHE 43 -2.168 -0.759 -1.809 255 HE2 PHE 43 HE1 PHE 43 1.747 -2.433 -1.645 256 HZ PHE 43 HZ PHE 43 0.023 -1.153 -2.854 257 H LEU 44 HN LEU 44 -3.352 -1.912 2.998 258 HA LEU 44 HA LEU 44 -3.730 0.228 1.287 259 HB2 LEU 44 HB2 LEU 44 -5.662 -0.441 3.523 260 HB3 LEU 44 HB1 LEU 44 -6.050 0.165 1.925 261 HG LEU 44 HG LEU 44 -5.462 -2.604 2.814 262 HD11 LEU 44 HD11 LEU 44 -7.216 -3.076 1.101 263 HD12 LEU 44 HD12 LEU 44 -7.399 -1.319 0.923 264 HD13 LEU 44 HD13 LEU 44 -7.730 -2.086 2.477 265 HD21 LEU 44 HD21 LEU 44 -3.846 -2.690 1.240 266 HD22 LEU 44 HD22 LEU 44 -4.601 -1.466 0.217 267 HD23 LEU 44 HD23 LEU 44 -5.259 -3.102 0.271 268 H MET 45 HN MET 45 -3.305 0.197 4.783 269 HA MET 45 HA MET 45 -3.786 2.917 5.315 270 HB2 MET 45 HB2 MET 45 -1.712 1.115 6.587 271 HB3 MET 45 HB1 MET 45 -2.308 2.626 7.259 272 HG2 MET 45 HG2 MET 45 -4.461 1.713 7.609 273 HG3 MET 45 HG1 MET 45 -4.068 0.271 6.682 274 HE1 MET 45 HE1 MET 45 -2.305 1.233 10.839 275 HE2 MET 45 HE2 MET 45 -3.491 2.245 10.013 276 HE3 MET 45 HE3 MET 45 -1.848 2.119 9.386 277 H LEU 46 HN LEU 46 -0.659 1.335 4.856 278 HA LEU 46 HA LEU 46 1.016 3.463 4.673 279 HB2 LEU 46 HB2 LEU 46 1.210 1.061 2.861 280 HB3 LEU 46 HB1 LEU 46 2.526 2.095 3.382 281 HG LEU 46 HG LEU 46 0.987 0.102 5.025 282 HD11 LEU 46 HD11 LEU 46 3.057 -0.974 5.327 283 HD12 LEU 46 HD12 LEU 46 3.937 0.363 4.595 284 HD13 LEU 46 HD13 LEU 46 2.890 -0.650 3.602 285 HD21 LEU 46 HD21 LEU 46 1.367 2.309 6.213 286 HD22 LEU 46 HD22 LEU 46 3.097 1.961 6.082 287 HD23 LEU 46 HD23 LEU 46 2.042 0.870 6.982 288 H ARG 47 HN ARG 47 -0.684 2.030 1.891 289 HA ARG 47 HA ARG 47 0.296 4.000 0.078 290 HB2 ARG 47 HB2 ARG 47 -1.470 3.129 -1.464 291 HB3 ARG 47 HB1 ARG 47 -0.360 1.916 -0.874 292 HG2 ARG 47 HG2 ARG 47 -2.068 0.726 -0.134 293 HG3 ARG 47 HG1 ARG 47 -2.602 2.074 0.869 294 HD2 ARG 47 HD2 ARG 47 -3.329 1.516 -1.990 295 HD3 ARG 47 HD1 ARG 47 -4.392 1.513 -0.575 296 HE ARG 47 HE ARG 47 -3.168 4.044 -0.878 297 HH11 ARG 47 HH11 ARG 47 -5.579 2.069 -2.447 298 HH12 ARG 47 HH12 ARG 47 -6.606 3.414 -2.851 299 HH21 ARG 47 HH21 ARG 47 -4.466 5.820 -1.467 300 HH22 ARG 47 HH22 ARG 47 -5.955 5.555 -2.327 301 H HIS 48 HN HIS 48 -2.762 3.547 1.753 302 HA HIS 48 HA HIS 48 -4.255 5.656 0.922 303 HB2 HIS 48 HB2 HIS 48 -4.104 4.089 3.346 304 HB3 HIS 48 HB1 HIS 48 -4.594 5.747 3.698 305 HD1 HIS 48 HD1 HIS 48 -6.927 4.606 4.368 306 HD2 HIS 48 HD2 HIS 48 -5.893 4.452 0.357 307 HE1 HIS 48 HE1 HIS 48 -9.028 3.937 3.161 308 HE2 HIS 48 HE2 HIS 48 -8.319 3.645 0.760 309 H ARG 49 HN ARG 49 -2.011 5.898 3.706 310 HA ARG 49 HA ARG 49 -2.497 8.609 4.161 311 HB2 ARG 49 HB2 ARG 49 0.082 7.158 4.672 312 HB3 ARG 49 HB1 ARG 49 -0.476 8.627 5.468 313 HG2 ARG 49 HG2 ARG 49 -2.468 7.240 6.247 314 HG3 ARG 49 HG1 ARG 49 -1.526 5.831 5.742 315 HD2 ARG 49 HD2 ARG 49 0.342 7.070 7.091 316 HD3 ARG 49 HD1 ARG 49 -1.037 7.766 7.929 317 HE ARG 49 HE ARG 49 -0.554 4.856 7.724 318 HH11 ARG 49 HH11 ARG 49 -1.580 7.685 9.542 319 HH12 ARG 49 HH12 ARG 49 -1.873 6.793 10.998 320 HH21 ARG 49 HH21 ARG 49 -0.906 3.709 9.666 321 HH22 ARG 49 HH22 ARG 49 -1.487 4.541 11.072 322 H ALA 50 HN ALA 50 0.185 7.124 2.465 323 HA ALA 50 HA ALA 50 1.477 9.320 1.428 324 HB1 ALA 50 HB1 ALA 50 2.339 7.869 -0.325 325 HB2 ALA 50 HB2 ALA 50 1.071 6.688 0.010 326 HB3 ALA 50 HB3 ALA 50 2.309 7.022 1.222 327 H ALA 51 HN ALA 51 -1.095 7.482 -0.259 328 HA ALA 51 HA ALA 51 -1.375 9.228 -2.425 329 HB1 ALA 51 HB1 ALA 51 -3.513 7.466 -1.237 330 HB2 ALA 51 HB2 ALA 51 -2.258 6.914 -2.345 331 HB3 ALA 51 HB3 ALA 51 -3.453 8.093 -2.883 332 H LEU 52 HN LEU 52 -2.884 9.300 0.768 333 HA LEU 52 HA LEU 52 -4.868 11.219 -0.130 334 HB2 LEU 52 HB2 LEU 52 -4.438 10.361 2.720 335 HB3 LEU 52 HB1 LEU 52 -5.905 10.964 1.968 336 HG LEU 52 HG LEU 52 -4.634 8.301 1.373 337 HD11 LEU 52 HD11 LEU 52 -5.556 8.370 3.615 338 HD12 LEU 52 HD12 LEU 52 -6.490 7.313 2.549 339 HD13 LEU 52 HD13 LEU 52 -7.105 8.919 2.967 340 HD21 LEU 52 HD21 LEU 52 -6.723 7.841 0.190 341 HD22 LEU 52 HD22 LEU 52 -5.799 9.160 -0.532 342 HD23 LEU 52 HD23 LEU 52 -7.218 9.518 0.455 343 H GLY 53 HN GLY 53 -2.887 11.365 2.841 344 HA2 GLY 53 HA2 GLY 53 -1.157 13.376 2.078 345 HA3 GLY 53 HA1 GLY 53 -2.605 14.183 2.658 346 H ALA 54 HN ALA 54 -1.206 11.152 3.904 347 HA ALA 54 HA ALA 54 -0.598 12.568 6.398 348 HB1 ALA 54 HB1 ALA 54 -1.144 10.413 7.544 349 HB2 ALA 54 HB2 ALA 54 -1.796 9.839 6.012 350 HB3 ALA 54 HB3 ALA 54 -2.519 11.231 6.810 351 H ASP 55 HN ASP 55 1.282 12.019 7.438 352 HA ASP 55 HA ASP 55 3.169 10.506 5.766 353 HB2 ASP 55 HB2 ASP 55 4.914 12.049 6.418 354 HB3 ASP 55 HB1 ASP 55 3.546 12.959 5.791 355 H ASP 56 HN ASP 56 1.718 9.216 7.845 356 HA ASP 56 HA ASP 56 3.393 8.754 10.086 357 HB2 ASP 56 HB2 ASP 56 1.186 7.866 10.213 358 HB3 ASP 56 HB1 ASP 56 1.379 6.999 8.695 359 H ASN 57 HN ASN 57 5.284 7.790 10.223 360 HA ASN 57 HA ASN 57 6.923 7.491 8.143 361 HB2 ASN 57 HB2 ASN 57 8.399 6.147 9.576 362 HB3 ASN 57 HB1 ASN 57 7.831 7.635 10.320 363 HD21 ASN 57 HD21 ASN 57 7.740 4.174 10.377 364 HD22 ASN 57 HD22 ASN 57 6.924 4.008 11.886 365 H ASP 58 HN ASP 58 4.892 4.822 9.328 366 HA ASP 58 HA ASP 58 6.279 2.799 7.891 367 HB2 ASP 58 HB2 ASP 58 3.402 2.980 8.795 368 HB3 ASP 58 HB1 ASP 58 4.061 1.565 7.984 369 H ALA 59 HN ALA 59 3.579 4.820 7.210 370 HA ALA 59 HA ALA 59 3.067 4.004 4.571 371 HB1 ALA 59 HB1 ALA 59 1.481 5.298 5.888 372 HB2 ALA 59 HB2 ALA 59 1.809 6.053 4.324 373 HB3 ALA 59 HB3 ALA 59 2.549 6.705 5.786 374 H VAL 60 HN VAL 60 5.318 6.417 5.868 375 HA VAL 60 HA VAL 60 5.830 7.489 3.259 376 HB VAL 60 HB VAL 60 7.373 8.959 4.188 377 HG11 VAL 60 HG11 VAL 60 5.334 8.399 6.325 378 HG12 VAL 60 HG12 VAL 60 5.143 9.459 4.927 379 HG13 VAL 60 HG13 VAL 60 6.293 9.876 6.198 380 HG21 VAL 60 HG21 VAL 60 8.317 8.691 6.490 381 HG22 VAL 60 HG22 VAL 60 8.895 7.552 5.271 382 HG23 VAL 60 HG23 VAL 60 7.696 7.038 6.459 383 H LYS 61 HN LYS 61 7.453 5.184 5.421 384 HA LYS 61 HA LYS 61 9.684 4.780 3.720 385 HB2 LYS 61 HB2 LYS 61 8.430 3.050 5.846 386 HB3 LYS 61 HB1 LYS 61 10.002 2.756 5.113 387 HG2 LYS 61 HG2 LYS 61 10.971 4.603 6.127 388 HG3 LYS 61 HG1 LYS 61 9.407 5.388 6.395 389 HD2 LYS 61 HD2 LYS 61 10.607 4.361 8.426 390 HD3 LYS 61 HD1 LYS 61 8.892 4.006 8.207 391 HE2 LYS 61 HE2 LYS 61 9.980 1.968 8.770 392 HE3 LYS 61 HE1 LYS 61 9.547 1.909 7.061 393 HZ1 LYS 61 HZ1 LYS 61 11.835 2.472 6.502 394 HZ2 LYS 61 HZ2 LYS 61 11.776 1.065 7.433 395 HZ3 LYS 61 HZ3 LYS 61 12.248 2.523 8.142 396 H PHE 62 HN PHE 62 6.480 3.346 3.936 397 HA PHE 62 HA PHE 62 6.758 1.339 2.001 398 HB2 PHE 62 HB2 PHE 62 4.731 1.541 3.336 399 HB3 PHE 62 HB1 PHE 62 4.399 3.124 2.647 400 HD1 PHE 62 HD2 PHE 62 4.511 -0.474 1.962 401 HD2 PHE 62 HD1 PHE 62 3.337 3.349 0.524 402 HE1 PHE 62 HE2 PHE 62 3.211 -1.548 0.172 403 HE2 PHE 62 HE1 PHE 62 2.032 2.288 -1.260 404 HZ PHE 62 HZ PHE 62 1.968 -0.163 -1.440 405 H ARG 63 HN ARG 63 5.653 4.676 1.712 406 HA ARG 63 HA ARG 63 5.498 4.992 -0.998 407 HB2 ARG 63 HB2 ARG 63 4.821 6.716 0.515 408 HB3 ARG 63 HB1 ARG 63 6.432 6.858 1.181 409 HG2 ARG 63 HG2 ARG 63 5.923 7.512 -1.689 410 HG3 ARG 63 HG1 ARG 63 5.545 8.673 -0.417 411 HD2 ARG 63 HD2 ARG 63 7.956 8.257 0.397 412 HD3 ARG 63 HD1 ARG 63 8.208 7.526 -1.190 413 HE ARG 63 HE ARG 63 7.236 10.280 -0.901 414 HH11 ARG 63 HH11 ARG 63 9.541 7.995 -2.213 415 HH12 ARG 63 HH12 ARG 63 10.259 9.143 -3.291 416 HH21 ARG 63 HH21 ARG 63 8.168 11.790 -2.319 417 HH22 ARG 63 HH22 ARG 63 9.482 11.311 -3.349 418 H SER 64 HN SER 64 8.354 5.820 0.930 419 HA SER 64 HA SER 64 10.239 6.336 -0.881 420 HB2 SER 64 HB2 SER 64 10.550 6.188 1.603 421 HB3 SER 64 HB1 SER 64 10.740 4.446 1.428 422 HG SER 64 HG SER 64 12.606 4.754 0.294 423 H TRP 65 HN TRP 65 9.686 2.970 0.213 424 HA TRP 65 HA TRP 65 11.400 1.860 -1.748 425 HB2 TRP 65 HB2 TRP 65 11.212 0.489 0.081 426 HB3 TRP 65 HB1 TRP 65 9.492 0.793 0.265 427 HD1 TRP 65 HD1 TRP 65 11.904 -1.403 -1.810 428 HE1 TRP 65 HE1 TRP 65 10.573 -3.466 -2.636 429 HE3 TRP 65 HE3 TRP 65 7.305 0.006 -0.283 430 HZ2 TRP 65 HZ2 TRP 65 7.884 -4.324 -2.662 431 HZ3 TRP 65 HZ3 TRP 65 5.384 -1.470 -0.734 432 HH2 TRP 65 HH2 TRP 65 5.667 -3.601 -1.889 433 H TRP 66 HN TRP 66 7.869 2.028 -1.533 434 HA TRP 66 HA TRP 66 7.455 0.370 -3.797 435 HB2 TRP 66 HB2 TRP 66 5.866 0.744 -1.868 436 HB3 TRP 66 HB1 TRP 66 5.499 2.312 -2.570 437 HD1 TRP 66 HD1 TRP 66 3.231 2.179 -3.663 438 HE1 TRP 66 HE1 TRP 66 1.972 0.520 -5.141 439 HE3 TRP 66 HE3 TRP 66 6.674 -1.581 -3.806 440 HZ2 TRP 66 HZ2 TRP 66 2.353 -1.987 -6.226 441 HZ3 TRP 66 HZ3 TRP 66 6.135 -3.599 -5.106 442 HH2 TRP 66 HH2 TRP 66 4.015 -3.804 -6.294 443 H ASN 67 HN ASN 67 7.959 3.780 -3.411 444 HA ASN 67 HA ASN 67 6.794 4.378 -6.003 445 HB2 ASN 67 HB2 ASN 67 7.806 6.003 -3.733 446 HB3 ASN 67 HB1 ASN 67 7.745 6.737 -5.332 447 HD21 ASN 67 HD21 ASN 67 5.885 5.299 -2.773 448 HD22 ASN 67 HD22 ASN 67 4.359 5.933 -3.268 449 H SER 68 HN SER 68 9.669 3.170 -5.057 450 HA SER 68 HA SER 68 11.209 4.750 -6.965 451 HB2 SER 68 HB2 SER 68 12.127 2.548 -5.088 452 HB3 SER 68 HB1 SER 68 13.176 3.524 -6.119 453 HG SER 68 HG SER 68 11.766 4.263 -3.796 454 H ARG 69 HN ARG 69 9.319 2.072 -6.744 455 HA ARG 69 HA ARG 69 10.658 0.668 -8.932 456 HB2 ARG 69 HB2 ARG 69 9.081 -1.244 -7.848 457 HB3 ARG 69 HB1 ARG 69 10.761 -0.991 -7.429 458 HG2 ARG 69 HG2 ARG 69 10.266 0.012 -5.419 459 HG3 ARG 69 HG1 ARG 69 8.621 0.409 -5.902 460 HD2 ARG 69 HD2 ARG 69 8.745 -1.442 -4.264 461 HD3 ARG 69 HD1 ARG 69 7.976 -1.901 -5.784 462 HE ARG 69 HE ARG 69 10.822 -2.488 -5.316 463 HH11 ARG 69 HH11 ARG 69 7.566 -3.537 -6.037 464 HH12 ARG 69 HH12 ARG 69 8.010 -5.181 -6.361 465 HH21 ARG 69 HH21 ARG 69 11.430 -4.648 -5.734 466 HH22 ARG 69 HH22 ARG 69 10.219 -5.814 -6.168 467 H THR 70 HN THR 70 7.522 0.837 -7.357 468 HA THR 70 HA THR 70 6.120 0.517 -9.900 469 HB THR 70 HB THR 70 5.089 0.642 -7.078 470 HG1 THR 70 HG1 THR 70 4.948 -1.784 -8.335 471 HG21 THR 70 HG21 THR 70 3.764 0.029 -9.699 472 HG22 THR 70 HG22 THR 70 3.260 1.159 -8.429 473 HG23 THR 70 HG23 THR 70 3.118 -0.583 -8.175 474 H LYS 71 HN LYS 71 5.862 2.537 -7.000 475 HA LYS 71 HA LYS 71 4.552 4.320 -6.535 476 HB2 LYS 71 HB2 LYS 71 4.613 5.086 -9.402 477 HB3 LYS 71 HB1 LYS 71 4.469 6.111 -8.001 478 HG2 LYS 71 HG2 LYS 71 6.778 5.544 -7.369 479 HG3 LYS 71 HG1 LYS 71 6.934 4.628 -8.860 480 HD2 LYS 71 HD2 LYS 71 7.966 6.788 -9.097 481 HD3 LYS 71 HD1 LYS 71 6.532 6.704 -10.131 482 HE2 LYS 71 HE2 LYS 71 5.257 7.995 -8.547 483 HE3 LYS 71 HE1 LYS 71 6.583 7.950 -7.386 484 HZ1 LYS 71 HZ1 LYS 71 7.920 9.257 -8.885 485 HZ2 LYS 71 HZ2 LYS 71 6.463 10.061 -8.575 486 HZ3 LYS 71 HZ3 LYS 71 6.688 9.258 -10.046 487 H MET 72 HN MET 72 3.012 2.984 -6.084 488 HA MET 72 HA MET 72 1.155 1.519 -7.204 489 HB2 MET 72 HB2 MET 72 -0.383 2.584 -5.408 490 HB3 MET 72 HB1 MET 72 1.095 1.784 -4.913 491 HG2 MET 72 HG2 MET 72 2.123 4.155 -5.246 492 HG3 MET 72 HG1 MET 72 0.455 4.631 -5.016 493 HE1 MET 72 HE1 MET 72 2.022 5.436 -1.507 494 HE2 MET 72 HE2 MET 72 1.006 6.070 -2.801 495 HE3 MET 72 HE3 MET 72 2.695 5.680 -3.118 496 H ALA 73 HN ALA 73 -1.231 1.956 -7.280 497 HA ALA 73 HA ALA 73 -1.777 4.066 -9.184 498 HB1 ALA 73 HB1 ALA 73 -1.974 1.869 -10.215 499 HB2 ALA 73 HB2 ALA 73 -3.564 2.613 -10.061 500 HB3 ALA 73 HB3 ALA 73 -3.067 1.354 -8.932 501 H ASN 74 HN ASN 74 -1.849 5.158 -7.145 502 HA ASN 74 HA ASN 74 -3.287 4.790 -4.925 503 HB2 ASN 74 HB2 ASN 74 -3.198 7.462 -6.317 504 HB3 ASN 74 HB1 ASN 74 -3.222 7.153 -4.586 505 HD21 ASN 74 HD21 ASN 74 -1.318 6.471 -3.568 506 HD22 ASN 74 HD22 ASN 74 0.224 6.642 -4.320 507 H ASP 75 HN ASP 75 -5.232 3.673 -5.418 508 HA ASP 75 HA ASP 75 -7.447 3.402 -5.742 509 HB2 ASP 75 HB2 ASP 75 -7.494 6.410 -5.426 510 HB3 ASP 75 HB1 ASP 75 -8.936 5.405 -5.509 511 H TYR 76 HN TYR 76 -5.579 4.148 -8.071 512 HA TYR 76 HA TYR 76 -7.552 5.127 -9.978 513 HB2 TYR 76 HB2 TYR 76 -4.645 4.419 -10.323 514 HB3 TYR 76 HB1 TYR 76 -5.680 5.099 -11.575 515 HD1 TYR 76 HD1 TYR 76 -6.855 7.359 -10.918 516 HD2 TYR 76 HD2 TYR 76 -3.336 5.860 -9.073 517 HE1 TYR 76 HE1 TYR 76 -6.297 9.621 -10.166 518 HE2 TYR 76 HE2 TYR 76 -2.761 8.112 -8.320 519 HH TYR 76 HH TYR 76 -4.917 10.658 -8.289 Start of MODEL 8 1 H1 GLY 10 HT1 GLY 10 -10.784 5.395 -4.643 2 H2 GLY 10 HT2 GLY 10 -10.676 7.074 -4.431 3 H3 GLY 10 HT3 GLY 10 -12.155 6.288 -4.204 4 HA2 GLY 10 HA1 GLY 10 -9.731 5.989 -2.528 5 HA3 GLY 10 HA2 GLY 10 -11.208 6.828 -2.074 6 H THR 11 HN THR 11 -9.756 4.386 -0.985 7 HA THR 11 HA THR 11 -11.967 2.468 -1.198 8 HB THR 11 HB THR 11 -9.563 1.396 -0.026 9 HG1 THR 11 HG1 THR 11 -9.303 2.135 -2.764 10 HG21 THR 11 HG21 THR 11 -9.909 -0.354 -1.589 11 HG22 THR 11 HG22 THR 11 -10.974 0.646 -2.568 12 HG23 THR 11 HG23 THR 11 -11.479 0.129 -0.948 13 H TYR 12 HN TYR 12 -10.720 0.967 0.955 14 HA TYR 12 HA TYR 12 -11.529 2.527 3.299 15 HB2 TYR 12 HB2 TYR 12 -12.477 -0.260 3.067 16 HB3 TYR 12 HB1 TYR 12 -13.255 1.118 3.846 17 HD1 TYR 12 HD2 TYR 12 -14.168 2.946 2.223 18 HD2 TYR 12 HD1 TYR 12 -13.344 -1.062 1.070 19 HE1 TYR 12 HE2 TYR 12 -15.702 3.176 0.345 20 HE2 TYR 12 HE1 TYR 12 -14.872 -0.837 -0.825 21 HH TYR 12 HH TYR 12 -16.054 2.143 -1.891 22 H ARG 13 HN ARG 13 -11.641 0.360 5.005 23 HA ARG 13 HA ARG 13 -9.448 -1.453 4.629 24 HB2 ARG 13 HB2 ARG 13 -8.761 0.867 5.877 25 HB3 ARG 13 HB1 ARG 13 -9.317 -0.090 7.237 26 HG2 ARG 13 HG2 ARG 13 -7.720 -1.906 6.399 27 HG3 ARG 13 HG1 ARG 13 -7.035 -0.637 5.385 28 HD2 ARG 13 HD2 ARG 13 -5.790 -0.823 7.411 29 HD3 ARG 13 HD1 ARG 13 -6.652 0.712 7.393 30 HE ARG 13 HE ARG 13 -7.753 -1.605 8.842 31 HH11 ARG 13 HH11 ARG 13 -6.514 1.680 8.849 32 HH12 ARG 13 HH12 ARG 13 -6.995 1.994 10.484 33 HH21 ARG 13 HH21 ARG 13 -8.386 -1.185 10.994 34 HH22 ARG 13 HH22 ARG 13 -8.067 0.368 11.701 35 H GLY 14 HN GLY 14 -9.429 -2.930 6.754 36 HA2 GLY 14 HA2 GLY 14 -10.601 -3.755 8.639 37 HA3 GLY 14 HA1 GLY 14 -11.912 -2.648 8.249 38 H ARG 15 HN ARG 15 -12.879 -3.151 6.093 39 HA ARG 15 HA ARG 15 -14.456 -5.453 6.401 40 HB2 ARG 15 HB2 ARG 15 -15.325 -4.664 4.150 41 HB3 ARG 15 HB1 ARG 15 -15.339 -3.466 5.442 42 HG2 ARG 15 HG2 ARG 15 -12.934 -2.943 4.457 43 HG3 ARG 15 HG1 ARG 15 -13.671 -3.616 3.000 44 HD2 ARG 15 HD2 ARG 15 -14.681 -1.325 4.652 45 HD3 ARG 15 HD1 ARG 15 -13.931 -1.221 3.053 46 HE ARG 15 HE ARG 15 -15.996 -2.804 2.527 47 HH11 ARG 15 HH11 ARG 15 -15.855 0.164 4.380 48 HH12 ARG 15 HH12 ARG 15 -17.458 0.658 3.939 49 HH21 ARG 15 HH21 ARG 15 -18.077 -2.145 1.922 50 HH22 ARG 15 HH22 ARG 15 -18.724 -0.658 2.541 51 H GLY 16 HN GLY 16 -11.589 -6.190 5.934 52 HA2 GLY 16 HA2 GLY 16 -10.454 -7.817 4.735 53 HA3 GLY 16 HA1 GLY 16 -11.917 -8.087 3.792 54 H VAL 17 HN VAL 17 -12.265 -5.403 3.018 55 HA VAL 17 HA VAL 17 -11.928 -4.089 1.257 56 HB VAL 17 HB VAL 17 -9.379 -3.168 1.275 57 HG11 VAL 17 HG11 VAL 17 -11.636 -2.382 3.088 58 HG12 VAL 17 HG12 VAL 17 -11.466 -1.943 1.387 59 HG13 VAL 17 HG13 VAL 17 -10.294 -1.358 2.575 60 HG21 VAL 17 HG21 VAL 17 -9.998 -4.237 4.030 61 HG22 VAL 17 HG22 VAL 17 -8.848 -2.937 3.737 62 HG23 VAL 17 HG23 VAL 17 -8.562 -4.536 3.047 63 H ALA 18 HN ALA 18 -11.939 -4.414 -0.704 64 HA ALA 18 HA ALA 18 -10.369 -6.542 -1.861 65 HB1 ALA 18 HB1 ALA 18 -12.726 -6.310 -2.481 66 HB2 ALA 18 HB2 ALA 18 -11.676 -6.147 -3.889 67 HB3 ALA 18 HB3 ALA 18 -12.392 -4.714 -3.152 68 H LEU 19 HN LEU 19 -10.344 -3.118 -1.660 69 HA LEU 19 HA LEU 19 -8.895 -1.526 -2.364 70 HB2 LEU 19 HB2 LEU 19 -7.326 -2.962 -1.239 71 HB3 LEU 19 HB1 LEU 19 -7.187 -3.970 -2.642 72 HG LEU 19 HG LEU 19 -5.958 -2.217 -3.795 73 HD11 LEU 19 HD11 LEU 19 -6.293 -0.652 -1.259 74 HD12 LEU 19 HD12 LEU 19 -7.108 -0.306 -2.788 75 HD13 LEU 19 HD13 LEU 19 -5.351 -0.175 -2.670 76 HD21 LEU 19 HD21 LEU 19 -5.150 -3.508 -1.372 77 HD22 LEU 19 HD22 LEU 19 -4.294 -1.984 -1.595 78 HD23 LEU 19 HD23 LEU 19 -4.239 -3.219 -2.851 79 H THR 20 HN THR 20 -7.185 -1.237 -4.510 80 HA THR 20 HA THR 20 -9.008 -1.740 -6.687 81 HB THR 20 HB THR 20 -7.933 0.472 -6.532 82 HG1 THR 20 HG1 THR 20 -7.444 0.605 -8.734 83 HG21 THR 20 HG21 THR 20 -5.772 -0.109 -5.647 84 HG22 THR 20 HG22 THR 20 -5.550 0.690 -7.203 85 HG23 THR 20 HG23 THR 20 -5.399 -1.063 -7.081 86 H ASP 21 HN ASP 21 -7.595 -2.287 -8.862 87 HA ASP 21 HA ASP 21 -7.106 -5.055 -8.499 88 HB2 ASP 21 HB2 ASP 21 -6.737 -3.218 -10.854 89 HB3 ASP 21 HB1 ASP 21 -6.295 -4.920 -10.927 90 H ASP 22 HN ASP 22 -4.934 -2.364 -9.292 91 HA ASP 22 HA ASP 22 -2.605 -3.969 -9.428 92 HB2 ASP 22 HB2 ASP 22 -2.935 -1.002 -8.991 93 HB3 ASP 22 HB1 ASP 22 -1.380 -1.784 -9.236 94 H GLU 23 HN GLU 23 -3.505 -1.569 -6.988 95 HA GLU 23 HA GLU 23 -1.483 -1.865 -5.223 96 HB2 GLU 23 HB2 GLU 23 -4.351 -1.143 -4.835 97 HB3 GLU 23 HB1 GLU 23 -3.359 -1.408 -3.424 98 HG2 GLU 23 HG2 GLU 23 -3.525 0.973 -4.176 99 HG3 GLU 23 HG1 GLU 23 -1.894 0.352 -3.941 100 H TYR 24 HN TYR 24 -4.439 -3.869 -5.125 101 HA TYR 24 HA TYR 24 -3.753 -5.167 -2.707 102 HB2 TYR 24 HB2 TYR 24 -6.036 -4.942 -3.793 103 HB3 TYR 24 HB1 TYR 24 -5.560 -6.243 -4.872 104 HD1 TYR 24 HD2 TYR 24 -5.280 -8.602 -3.984 105 HD2 TYR 24 HD1 TYR 24 -6.647 -5.360 -1.531 106 HE1 TYR 24 HE2 TYR 24 -6.046 -10.186 -2.276 107 HE2 TYR 24 HE1 TYR 24 -7.405 -6.964 0.166 108 HH TYR 24 HH TYR 24 -6.436 -10.104 0.283 109 H ASP 25 HN ASP 25 -3.711 -6.371 -6.005 110 HA ASP 25 HA ASP 25 -2.247 -8.706 -5.664 111 HB2 ASP 25 HB2 ASP 25 -3.286 -7.885 -7.812 112 HB3 ASP 25 HB1 ASP 25 -1.887 -6.837 -8.017 113 H GLU 26 HN GLU 26 -1.036 -5.425 -6.113 114 HA GLU 26 HA GLU 26 1.718 -6.082 -6.068 115 HB2 GLU 26 HB2 GLU 26 0.238 -3.505 -5.568 116 HB3 GLU 26 HB1 GLU 26 1.987 -3.618 -5.621 117 HG2 GLU 26 HG2 GLU 26 0.153 -4.369 -7.887 118 HG3 GLU 26 HG1 GLU 26 0.972 -2.819 -7.728 119 H TRP 27 HN TRP 27 -0.615 -5.470 -3.532 120 HA TRP 27 HA TRP 27 1.136 -5.026 -1.382 121 HB2 TRP 27 HB2 TRP 27 -1.027 -4.652 -0.722 122 HB3 TRP 27 HB1 TRP 27 -1.663 -5.982 -1.681 123 HD1 TRP 27 HD1 TRP 27 0.334 -5.533 1.660 124 HE1 TRP 27 HE1 TRP 27 -0.436 -7.389 3.260 125 HE3 TRP 27 HE3 TRP 27 -2.807 -8.086 -1.476 126 HZ2 TRP 27 HZ2 TRP 27 -2.145 -9.601 3.214 127 HZ3 TRP 27 HZ3 TRP 27 -3.968 -10.073 -0.609 128 HH2 TRP 27 HH2 TRP 27 -3.636 -10.823 1.691 129 H ARG 28 HN ARG 28 -0.001 -7.962 -2.911 130 HA ARG 28 HA ARG 28 1.105 -9.776 -1.066 131 HB2 ARG 28 HB2 ARG 28 0.681 -10.212 -4.034 132 HB3 ARG 28 HB1 ARG 28 0.790 -11.450 -2.790 133 HG2 ARG 28 HG2 ARG 28 -1.262 -10.358 -1.747 134 HG3 ARG 28 HG1 ARG 28 -1.412 -9.474 -3.266 135 HD2 ARG 28 HD2 ARG 28 -1.307 -12.474 -3.038 136 HD3 ARG 28 HD1 ARG 28 -2.791 -11.535 -3.171 137 HE ARG 28 HE ARG 28 -1.477 -10.726 -5.341 138 HH11 ARG 28 HH11 ARG 28 -1.963 -13.936 -4.050 139 HH12 ARG 28 HH12 ARG 28 -1.952 -14.707 -5.603 140 HH21 ARG 28 HH21 ARG 28 -1.480 -11.714 -7.397 141 HH22 ARG 28 HH22 ARG 28 -1.672 -13.441 -7.515 142 H GLU 29 HN GLU 29 2.416 -8.020 -3.808 143 HA GLU 29 HA GLU 29 4.999 -9.265 -3.692 144 HB2 GLU 29 HB2 GLU 29 4.212 -8.105 -5.715 145 HB3 GLU 29 HB1 GLU 29 4.220 -6.580 -4.839 146 HG2 GLU 29 HG2 GLU 29 6.614 -6.704 -4.565 147 HG3 GLU 29 HG1 GLU 29 6.645 -8.293 -5.327 148 H HIS 30 HN HIS 30 3.615 -6.281 -2.356 149 HA HIS 30 HA HIS 30 5.796 -5.206 -1.060 150 HB2 HIS 30 HB2 HIS 30 3.607 -4.117 -1.028 151 HB3 HIS 30 HB1 HIS 30 2.952 -5.406 -0.026 152 HD1 HIS 30 HD1 HIS 30 2.294 -3.798 1.866 153 HD2 HIS 30 HD2 HIS 30 6.346 -3.711 0.978 154 HE1 HIS 30 HE1 HIS 30 3.357 -2.458 3.716 155 HE2 HIS 30 HE2 HIS 30 5.786 -2.288 3.060 156 H ASN 31 HN ASN 31 3.699 -7.815 0.070 157 HA ASN 31 HA ASN 31 4.864 -8.394 2.499 158 HB2 ASN 31 HB2 ASN 31 2.812 -9.446 1.443 159 HB3 ASN 31 HB1 ASN 31 3.906 -10.467 0.519 160 HD21 ASN 31 HD21 ASN 31 1.874 -11.152 2.495 161 HD22 ASN 31 HD22 ASN 31 2.692 -12.065 3.716 162 H ALA 32 HN ALA 32 5.637 -9.870 -0.610 163 HA ALA 32 HA ALA 32 7.862 -11.349 0.147 164 HB1 ALA 32 HB1 ALA 32 8.414 -11.453 -2.189 165 HB2 ALA 32 HB2 ALA 32 7.385 -10.058 -2.524 166 HB3 ALA 32 HB3 ALA 32 6.668 -11.580 -1.983 167 H SER 33 HN SER 33 7.873 -8.174 -1.478 168 HA SER 33 HA SER 33 10.636 -7.949 -1.629 169 HB2 SER 33 HB2 SER 33 9.113 -6.636 -3.012 170 HB3 SER 33 HB1 SER 33 8.575 -5.740 -1.598 171 HG SER 33 HG SER 33 11.170 -5.768 -2.750 172 H ARG 34 HN ARG 34 8.486 -6.808 0.971 173 HA ARG 34 HA ARG 34 10.781 -5.532 2.241 174 HB2 ARG 34 HB2 ARG 34 7.851 -5.415 2.863 175 HB3 ARG 34 HB1 ARG 34 9.087 -4.666 3.867 176 HG2 ARG 34 HG2 ARG 34 8.593 -4.043 0.957 177 HG3 ARG 34 HG1 ARG 34 8.056 -3.066 2.323 178 HD2 ARG 34 HD2 ARG 34 10.929 -3.703 1.655 179 HD3 ARG 34 HD1 ARG 34 10.102 -2.208 1.239 180 HE ARG 34 HE ARG 34 9.836 -2.532 3.982 181 HH11 ARG 34 HH11 ARG 34 12.432 -2.099 1.668 182 HH12 ARG 34 HH12 ARG 34 13.460 -1.266 2.788 183 HH21 ARG 34 HH21 ARG 34 11.173 -1.419 5.445 184 HH22 ARG 34 HH22 ARG 34 12.738 -0.870 4.937 185 H LYS 35 HN LYS 35 9.326 -8.518 2.292 186 HA LYS 35 HA LYS 35 9.848 -10.388 3.446 187 HB2 LYS 35 HB2 LYS 35 11.944 -8.624 4.672 188 HB3 LYS 35 HB1 LYS 35 11.750 -10.306 5.127 189 HG2 LYS 35 HG2 LYS 35 13.426 -10.412 3.555 190 HG3 LYS 35 HG1 LYS 35 11.992 -10.761 2.587 191 HD2 LYS 35 HD2 LYS 35 11.914 -8.426 1.867 192 HD3 LYS 35 HD1 LYS 35 13.341 -8.076 2.840 193 HE2 LYS 35 HE2 LYS 35 14.600 -9.737 1.497 194 HE3 LYS 35 HE1 LYS 35 13.177 -9.938 0.476 195 HZ1 LYS 35 HZ1 LYS 35 13.310 -7.577 -0.078 196 HZ2 LYS 35 HZ2 LYS 35 14.721 -8.399 -0.519 197 HZ3 LYS 35 HZ3 LYS 35 14.708 -7.426 0.862 198 H LEU 36 HN LEU 36 7.972 -8.273 4.420 199 HA LEU 36 HA LEU 36 7.854 -8.879 7.257 200 HB2 LEU 36 HB2 LEU 36 5.630 -7.382 6.755 201 HB3 LEU 36 HB1 LEU 36 7.204 -6.712 7.167 202 HG LEU 36 HG LEU 36 7.666 -6.533 4.701 203 HD11 LEU 36 HD11 LEU 36 5.668 -6.550 3.240 204 HD12 LEU 36 HD12 LEU 36 4.759 -7.268 4.573 205 HD13 LEU 36 HD13 LEU 36 6.120 -8.136 3.866 206 HD21 LEU 36 HD21 LEU 36 6.434 -4.517 4.419 207 HD22 LEU 36 HD22 LEU 36 6.903 -4.644 6.115 208 HD23 LEU 36 HD23 LEU 36 5.239 -5.010 5.631 209 H ASP 37 HN ASP 37 5.099 -8.847 7.557 210 HA ASP 37 HA ASP 37 3.989 -10.970 5.915 211 HB2 ASP 37 HB2 ASP 37 5.209 -12.107 7.807 212 HB3 ASP 37 HB1 ASP 37 4.152 -11.256 8.930 213 H LEU 38 HN LEU 38 3.377 -8.438 5.836 214 HA LEU 38 HA LEU 38 1.501 -7.549 7.785 215 HB2 LEU 38 HB2 LEU 38 1.646 -5.540 6.707 216 HB3 LEU 38 HB1 LEU 38 3.099 -6.269 6.089 217 HG LEU 38 HG LEU 38 0.506 -6.408 4.604 218 HD11 LEU 38 HD11 LEU 38 0.895 -4.088 5.025 219 HD12 LEU 38 HD12 LEU 38 1.322 -4.444 3.349 220 HD13 LEU 38 HD13 LEU 38 2.591 -4.254 4.562 221 HD21 LEU 38 HD21 LEU 38 1.867 -6.874 2.718 222 HD22 LEU 38 HD22 LEU 38 2.486 -7.889 4.025 223 HD23 LEU 38 HD23 LEU 38 3.334 -6.409 3.578 224 H SER 39 HN SER 39 -0.728 -7.105 7.415 225 HA SER 39 HA SER 39 -1.951 -8.845 5.394 226 HB2 SER 39 HB2 SER 39 -3.271 -7.553 7.784 227 HB3 SER 39 HB1 SER 39 -3.981 -8.759 6.723 228 HG SER 39 HG SER 39 -2.816 -10.302 7.650 229 H VAL 40 HN VAL 40 -3.770 -7.931 4.184 230 HA VAL 40 HA VAL 40 -2.959 -5.807 2.752 231 HB VAL 40 HB VAL 40 -4.991 -7.538 2.501 232 HG11 VAL 40 HG11 VAL 40 -7.088 -6.245 2.204 233 HG12 VAL 40 HG12 VAL 40 -6.321 -4.880 3.022 234 HG13 VAL 40 HG13 VAL 40 -6.584 -6.393 3.888 235 HG21 VAL 40 HG21 VAL 40 -5.493 -6.357 0.417 236 HG22 VAL 40 HG22 VAL 40 -3.762 -6.506 0.734 237 HG23 VAL 40 HG23 VAL 40 -4.586 -4.968 1.013 238 H GLU 41 HN GLU 41 -5.225 -5.532 5.500 239 HA GLU 41 HA GLU 41 -6.062 -2.935 5.144 240 HB2 GLU 41 HB2 GLU 41 -5.236 -4.162 7.788 241 HB3 GLU 41 HB1 GLU 41 -6.260 -2.750 7.577 242 HG2 GLU 41 HG2 GLU 41 -7.867 -4.215 6.343 243 HG3 GLU 41 HG1 GLU 41 -6.885 -5.591 6.857 244 H ASP 42 HN ASP 42 -3.114 -3.960 6.895 245 HA ASP 42 HA ASP 42 -2.093 -1.440 7.433 246 HB2 ASP 42 HB2 ASP 42 -0.783 -4.120 7.070 247 HB3 ASP 42 HB1 ASP 42 0.158 -2.683 7.438 248 H PHE 43 HN PHE 43 -1.701 -3.442 4.527 249 HA PHE 43 HA PHE 43 0.161 -1.791 3.206 250 HB2 PHE 43 HB2 PHE 43 -0.351 -3.964 2.257 251 HB3 PHE 43 HB1 PHE 43 -2.040 -3.516 2.047 252 HD1 PHE 43 HD2 PHE 43 -2.719 -2.013 0.245 253 HD2 PHE 43 HD1 PHE 43 1.377 -3.135 0.668 254 HE1 PHE 43 HE2 PHE 43 -2.244 -1.227 -2.038 255 HE2 PHE 43 HE1 PHE 43 1.820 -2.373 -1.589 256 HZ PHE 43 HZ PHE 43 0.066 -1.272 -2.893 257 H LEU 44 HN LEU 44 -3.329 -1.915 3.195 258 HA LEU 44 HA LEU 44 -3.783 0.119 1.356 259 HB2 LEU 44 HB2 LEU 44 -5.651 -0.558 3.641 260 HB3 LEU 44 HB1 LEU 44 -6.087 0.039 2.052 261 HG LEU 44 HG LEU 44 -5.505 -2.707 2.940 262 HD11 LEU 44 HD11 LEU 44 -7.729 -2.246 2.463 263 HD12 LEU 44 HD12 LEU 44 -7.138 -3.112 1.028 264 HD13 LEU 44 HD13 LEU 44 -7.332 -1.343 1.000 265 HD21 LEU 44 HD21 LEU 44 -4.579 -1.593 0.341 266 HD22 LEU 44 HD22 LEU 44 -5.111 -3.270 0.487 267 HD23 LEU 44 HD23 LEU 44 -3.764 -2.690 1.462 268 H MET 45 HN MET 45 -3.269 0.199 4.805 269 HA MET 45 HA MET 45 -3.855 2.942 5.221 270 HB2 MET 45 HB2 MET 45 -1.860 1.193 6.678 271 HB3 MET 45 HB1 MET 45 -2.452 2.751 7.240 272 HG2 MET 45 HG2 MET 45 -4.720 1.833 7.338 273 HG3 MET 45 HG1 MET 45 -4.095 0.270 6.821 274 HE1 MET 45 HE1 MET 45 -4.307 2.914 9.679 275 HE2 MET 45 HE2 MET 45 -2.575 2.918 9.348 276 HE3 MET 45 HE3 MET 45 -3.180 2.276 10.875 277 H LEU 46 HN LEU 46 -0.703 1.339 4.831 278 HA LEU 46 HA LEU 46 0.945 3.517 4.628 279 HB2 LEU 46 HB2 LEU 46 1.183 1.046 2.915 280 HB3 LEU 46 HB1 LEU 46 2.480 2.138 3.358 281 HG LEU 46 HG LEU 46 1.026 0.193 5.135 282 HD11 LEU 46 HD11 LEU 46 2.889 -0.594 3.676 283 HD12 LEU 46 HD12 LEU 46 3.119 -0.841 5.406 284 HD13 LEU 46 HD13 LEU 46 3.956 0.475 4.586 285 HD21 LEU 46 HD21 LEU 46 1.403 2.436 6.220 286 HD22 LEU 46 HD22 LEU 46 3.134 2.156 5.993 287 HD23 LEU 46 HD23 LEU 46 2.189 1.062 7.003 288 H ARG 47 HN ARG 47 -0.569 1.866 1.872 289 HA ARG 47 HA ARG 47 0.374 3.662 -0.079 290 HB2 ARG 47 HB2 ARG 47 -1.409 2.681 -1.532 291 HB3 ARG 47 HB1 ARG 47 -0.373 1.498 -0.762 292 HG2 ARG 47 HG2 ARG 47 -2.151 0.487 0.015 293 HG3 ARG 47 HG1 ARG 47 -2.551 1.926 0.945 294 HD2 ARG 47 HD2 ARG 47 -3.538 2.775 -1.300 295 HD3 ARG 47 HD1 ARG 47 -3.549 1.052 -1.719 296 HE ARG 47 HE ARG 47 -4.705 1.253 0.775 297 HH11 ARG 47 HH11 ARG 47 -5.416 2.542 -2.405 298 HH12 ARG 47 HH12 ARG 47 -7.135 2.555 -2.125 299 HH21 ARG 47 HH21 ARG 47 -6.945 1.265 1.113 300 HH22 ARG 47 HH22 ARG 47 -7.984 1.805 -0.168 301 H HIS 48 HN HIS 48 -2.757 3.502 1.560 302 HA HIS 48 HA HIS 48 -4.050 5.693 0.670 303 HB2 HIS 48 HB2 HIS 48 -3.983 4.203 3.142 304 HB3 HIS 48 HB1 HIS 48 -4.307 5.906 3.456 305 HD1 HIS 48 HD1 HIS 48 -6.737 5.282 4.183 306 HD2 HIS 48 HD2 HIS 48 -5.784 4.366 0.258 307 HE1 HIS 48 HE1 HIS 48 -8.921 4.664 3.095 308 HE2 HIS 48 HE2 HIS 48 -8.243 3.766 0.833 309 H ARG 49 HN ARG 49 -1.720 5.805 3.383 310 HA ARG 49 HA ARG 49 -2.117 8.563 3.806 311 HB2 ARG 49 HB2 ARG 49 0.315 6.952 4.519 312 HB3 ARG 49 HB1 ARG 49 -0.206 8.460 5.258 313 HG2 ARG 49 HG2 ARG 49 -2.326 7.193 5.909 314 HG3 ARG 49 HG1 ARG 49 -1.416 5.730 5.503 315 HD2 ARG 49 HD2 ARG 49 0.352 7.185 6.978 316 HD3 ARG 49 HD1 ARG 49 -1.178 7.514 7.780 317 HE ARG 49 HE ARG 49 -0.209 4.767 7.293 318 HH11 ARG 49 HH11 ARG 49 -1.673 7.166 9.381 319 HH12 ARG 49 HH12 ARG 49 -1.661 6.139 10.777 320 HH21 ARG 49 HH21 ARG 49 -0.174 3.423 9.142 321 HH22 ARG 49 HH22 ARG 49 -0.815 4.021 10.641 322 H ALA 50 HN ALA 50 0.323 6.749 2.071 323 HA ALA 50 HA ALA 50 2.057 8.805 1.376 324 HB1 ALA 50 HB1 ALA 50 1.448 6.348 -0.258 325 HB2 ALA 50 HB2 ALA 50 2.558 6.410 1.111 326 HB3 ALA 50 HB3 ALA 50 2.905 7.340 -0.348 327 H ALA 51 HN ALA 51 -0.752 7.559 -0.473 328 HA ALA 51 HA ALA 51 -0.375 9.551 -2.511 329 HB1 ALA 51 HB1 ALA 51 -2.837 7.881 -2.154 330 HB2 ALA 51 HB2 ALA 51 -1.345 7.214 -2.823 331 HB3 ALA 51 HB3 ALA 51 -2.161 8.549 -3.639 332 H LEU 52 HN LEU 52 -2.467 9.173 0.311 333 HA LEU 52 HA LEU 52 -4.250 11.261 -0.482 334 HB2 LEU 52 HB2 LEU 52 -3.877 10.312 2.350 335 HB3 LEU 52 HB1 LEU 52 -5.306 11.014 1.614 336 HG LEU 52 HG LEU 52 -4.190 8.284 1.011 337 HD11 LEU 52 HD11 LEU 52 -6.215 7.461 2.090 338 HD12 LEU 52 HD12 LEU 52 -6.644 9.117 2.532 339 HD13 LEU 52 HD13 LEU 52 -5.187 8.374 3.197 340 HD21 LEU 52 HD21 LEU 52 -6.285 7.969 -0.249 341 HD22 LEU 52 HD22 LEU 52 -5.209 9.183 -0.955 342 HD23 LEU 52 HD23 LEU 52 -6.626 9.694 -0.033 343 H GLY 53 HN GLY 53 -2.372 11.355 2.589 344 HA2 GLY 53 HA2 GLY 53 -0.529 13.275 1.676 345 HA3 GLY 53 HA1 GLY 53 -1.875 14.087 2.457 346 H ALA 54 HN ALA 54 -1.545 11.109 3.911 347 HA ALA 54 HA ALA 54 -0.491 12.348 6.275 348 HB1 ALA 54 HB1 ALA 54 -0.953 10.109 7.309 349 HB2 ALA 54 HB2 ALA 54 -1.593 9.612 5.741 350 HB3 ALA 54 HB3 ALA 54 -2.349 10.936 6.620 351 H ASP 55 HN ASP 55 1.471 12.193 7.069 352 HA ASP 55 HA ASP 55 3.411 10.592 5.559 353 HB2 ASP 55 HB2 ASP 55 5.094 12.240 6.230 354 HB3 ASP 55 HB1 ASP 55 3.745 13.017 5.409 355 H ASP 56 HN ASP 56 1.950 9.412 7.674 356 HA ASP 56 HA ASP 56 3.630 9.183 9.973 357 HB2 ASP 56 HB2 ASP 56 1.152 8.472 9.753 358 HB3 ASP 56 HB1 ASP 56 1.785 7.005 9.014 359 H ASN 57 HN ASN 57 5.535 8.222 10.078 360 HA ASN 57 HA ASN 57 7.075 7.589 8.069 361 HB2 ASN 57 HB2 ASN 57 8.549 6.363 9.513 362 HB3 ASN 57 HB1 ASN 57 7.922 7.795 10.304 363 HD21 ASN 57 HD21 ASN 57 8.090 4.363 10.324 364 HD22 ASN 57 HD22 ASN 57 7.265 4.125 11.822 365 H ASP 58 HN ASP 58 4.999 5.008 9.466 366 HA ASP 58 HA ASP 58 6.244 2.899 8.047 367 HB2 ASP 58 HB2 ASP 58 3.933 1.785 8.236 368 HB3 ASP 58 HB1 ASP 58 4.778 2.179 9.726 369 H ALA 59 HN ALA 59 3.797 5.149 7.211 370 HA ALA 59 HA ALA 59 3.257 4.093 4.596 371 HB1 ALA 59 HB1 ALA 59 1.621 5.441 5.796 372 HB2 ALA 59 HB2 ALA 59 2.016 6.127 4.215 373 HB3 ALA 59 HB3 ALA 59 2.698 6.842 5.678 374 H VAL 60 HN VAL 60 5.514 6.482 5.898 375 HA VAL 60 HA VAL 60 6.094 7.541 3.301 376 HB VAL 60 HB VAL 60 7.696 8.942 4.254 377 HG11 VAL 60 HG11 VAL 60 5.599 8.470 6.349 378 HG12 VAL 60 HG12 VAL 60 5.474 9.526 4.943 379 HG13 VAL 60 HG13 VAL 60 6.617 9.905 6.231 380 HG21 VAL 60 HG21 VAL 60 8.563 8.618 6.597 381 HG22 VAL 60 HG22 VAL 60 9.154 7.496 5.372 382 HG23 VAL 60 HG23 VAL 60 7.909 6.980 6.506 383 H LYS 61 HN LYS 61 7.555 5.160 5.458 384 HA LYS 61 HA LYS 61 9.791 4.604 3.812 385 HB2 LYS 61 HB2 LYS 61 8.338 2.913 5.847 386 HB3 LYS 61 HB1 LYS 61 9.937 2.568 5.196 387 HG2 LYS 61 HG2 LYS 61 10.933 4.291 6.351 388 HG3 LYS 61 HG1 LYS 61 9.432 5.215 6.468 389 HD2 LYS 61 HD2 LYS 61 10.295 4.139 8.610 390 HD3 LYS 61 HD1 LYS 61 8.604 3.847 8.196 391 HE2 LYS 61 HE2 LYS 61 9.500 1.767 8.874 392 HE3 LYS 61 HE1 LYS 61 9.349 1.720 7.119 393 HZ1 LYS 61 HZ1 LYS 61 11.852 2.232 8.633 394 HZ2 LYS 61 HZ2 LYS 61 11.715 2.215 6.950 395 HZ3 LYS 61 HZ3 LYS 61 11.457 0.797 7.830 396 H PHE 62 HN PHE 62 6.484 3.454 3.931 397 HA PHE 62 HA PHE 62 6.659 1.420 2.003 398 HB2 PHE 62 HB2 PHE 62 4.642 1.759 3.347 399 HB3 PHE 62 HB1 PHE 62 4.391 3.335 2.609 400 HD1 PHE 62 HD2 PHE 62 4.310 -0.305 2.019 401 HD2 PHE 62 HD1 PHE 62 3.403 3.554 0.478 402 HE1 PHE 62 HE2 PHE 62 2.967 -1.339 0.242 403 HE2 PHE 62 HE1 PHE 62 2.047 2.523 -1.296 404 HZ PHE 62 HZ PHE 62 1.825 0.040 -1.389 405 H ARG 63 HN ARG 63 5.725 4.814 1.711 406 HA ARG 63 HA ARG 63 5.644 5.116 -0.999 407 HB2 ARG 63 HB2 ARG 63 4.978 6.873 0.451 408 HB3 ARG 63 HB1 ARG 63 6.548 6.940 1.219 409 HG2 ARG 63 HG2 ARG 63 6.299 7.613 -1.673 410 HG3 ARG 63 HG1 ARG 63 5.805 8.785 -0.450 411 HD2 ARG 63 HD2 ARG 63 8.143 8.261 0.597 412 HD3 ARG 63 HD1 ARG 63 8.515 7.654 -1.015 413 HE ARG 63 HE ARG 63 7.564 10.024 -1.633 414 HH11 ARG 63 HH11 ARG 63 9.782 9.150 0.938 415 HH12 ARG 63 HH12 ARG 63 10.617 10.667 0.896 416 HH21 ARG 63 HH21 ARG 63 8.660 12.026 -1.674 417 HH22 ARG 63 HH22 ARG 63 9.989 12.296 -0.591 418 H SER 64 HN SER 64 8.461 5.939 0.945 419 HA SER 64 HA SER 64 10.406 6.320 -0.820 420 HB2 SER 64 HB2 SER 64 10.721 6.323 1.633 421 HB3 SER 64 HB1 SER 64 10.774 4.563 1.614 422 HG SER 64 HG SER 64 12.749 4.617 0.866 423 H TRP 65 HN TRP 65 9.525 3.031 0.250 424 HA TRP 65 HA TRP 65 11.361 1.785 -1.560 425 HB2 TRP 65 HB2 TRP 65 11.123 0.538 0.345 426 HB3 TRP 65 HB1 TRP 65 9.409 0.895 0.492 427 HD1 TRP 65 HD1 TRP 65 11.804 -1.543 -1.236 428 HE1 TRP 65 HE1 TRP 65 10.431 -3.586 -2.041 429 HE3 TRP 65 HE3 TRP 65 7.191 0.224 -0.220 430 HZ2 TRP 65 HZ2 TRP 65 7.698 -4.298 -2.224 431 HZ3 TRP 65 HZ3 TRP 65 5.226 -1.176 -0.725 432 HH2 TRP 65 HH2 TRP 65 5.484 -3.395 -1.703 433 H TRP 66 HN TRP 66 7.865 2.206 -1.485 434 HA TRP 66 HA TRP 66 7.413 0.489 -3.741 435 HB2 TRP 66 HB2 TRP 66 5.815 0.881 -1.819 436 HB3 TRP 66 HB1 TRP 66 5.499 2.472 -2.497 437 HD1 TRP 66 HD1 TRP 66 3.336 2.487 -3.803 438 HE1 TRP 66 HE1 TRP 66 2.030 0.832 -5.249 439 HE3 TRP 66 HE3 TRP 66 6.483 -1.512 -3.531 440 HZ2 TRP 66 HZ2 TRP 66 2.279 -1.752 -6.167 441 HZ3 TRP 66 HZ3 TRP 66 5.872 -3.557 -4.747 442 HH2 TRP 66 HH2 TRP 66 3.812 -3.685 -6.038 443 H ASN 67 HN ASN 67 6.616 3.980 -3.349 444 HA ASN 67 HA ASN 67 6.491 4.654 -5.938 445 HB2 ASN 67 HB2 ASN 67 7.461 6.212 -3.592 446 HB3 ASN 67 HB1 ASN 67 7.395 6.939 -5.195 447 HD21 ASN 67 HD21 ASN 67 5.581 5.651 -2.563 448 HD22 ASN 67 HD22 ASN 67 4.039 6.205 -3.091 449 H SER 68 HN SER 68 9.296 3.382 -4.643 450 HA SER 68 HA SER 68 10.994 4.760 -6.557 451 HB2 SER 68 HB2 SER 68 11.873 4.195 -4.291 452 HB3 SER 68 HB1 SER 68 11.709 2.486 -4.689 453 HG SER 68 HG SER 68 13.186 2.845 -6.418 454 H ARG 69 HN ARG 69 9.037 1.999 -6.334 455 HA ARG 69 HA ARG 69 10.341 0.781 -8.668 456 HB2 ARG 69 HB2 ARG 69 9.005 -1.300 -7.873 457 HB3 ARG 69 HB1 ARG 69 10.481 -0.860 -7.049 458 HG2 ARG 69 HG2 ARG 69 9.205 0.157 -5.262 459 HG3 ARG 69 HG1 ARG 69 7.704 -0.231 -6.105 460 HD2 ARG 69 HD2 ARG 69 8.237 -1.838 -4.306 461 HD3 ARG 69 HD1 ARG 69 8.134 -2.589 -5.899 462 HE ARG 69 HE ARG 69 10.757 -1.836 -4.807 463 HH11 ARG 69 HH11 ARG 69 8.510 -4.333 -5.849 464 HH12 ARG 69 HH12 ARG 69 9.724 -5.570 -5.893 465 HH21 ARG 69 HH21 ARG 69 12.338 -3.465 -4.870 466 HH22 ARG 69 HH22 ARG 69 11.900 -5.079 -5.332 467 H THR 70 HN THR 70 7.176 0.998 -7.144 468 HA THR 70 HA THR 70 5.845 0.606 -9.726 469 HB THR 70 HB THR 70 4.636 0.736 -6.987 470 HG1 THR 70 HG1 THR 70 4.822 -1.780 -7.859 471 HG21 THR 70 HG21 THR 70 2.824 -0.534 -7.964 472 HG22 THR 70 HG22 THR 70 3.664 -0.586 -9.516 473 HG23 THR 70 HG23 THR 70 3.084 0.951 -8.876 474 H LYS 71 HN LYS 71 5.317 2.536 -6.831 475 HA LYS 71 HA LYS 71 4.701 4.689 -6.476 476 HB2 LYS 71 HB2 LYS 71 4.614 5.073 -9.442 477 HB3 LYS 71 HB1 LYS 71 4.616 6.307 -8.202 478 HG2 LYS 71 HG2 LYS 71 6.865 5.530 -7.496 479 HG3 LYS 71 HG1 LYS 71 6.868 4.439 -8.874 480 HD2 LYS 71 HD2 LYS 71 8.142 6.418 -9.378 481 HD3 LYS 71 HD1 LYS 71 6.677 6.393 -10.372 482 HE2 LYS 71 HE2 LYS 71 5.608 7.972 -8.854 483 HE3 LYS 71 HE1 LYS 71 7.031 7.957 -7.813 484 HZ1 LYS 71 HZ1 LYS 71 8.321 8.874 -9.658 485 HZ2 LYS 71 HZ2 LYS 71 7.042 9.892 -9.230 486 HZ3 LYS 71 HZ3 LYS 71 6.929 8.931 -10.615 487 H MET 72 HN MET 72 3.005 2.302 -7.661 488 HA MET 72 HA MET 72 0.825 1.702 -7.664 489 HB2 MET 72 HB2 MET 72 -0.485 2.770 -5.758 490 HB3 MET 72 HB1 MET 72 0.976 1.905 -5.360 491 HG2 MET 72 HG2 MET 72 1.264 3.727 -4.100 492 HG3 MET 72 HG1 MET 72 2.035 4.286 -5.577 493 HE1 MET 72 HE1 MET 72 1.885 6.803 -4.984 494 HE2 MET 72 HE2 MET 72 1.227 6.370 -3.407 495 HE3 MET 72 HE3 MET 72 0.430 7.600 -4.387 496 H ALA 73 HN ALA 73 -1.502 2.897 -7.015 497 HA ALA 73 HA ALA 73 -1.917 5.230 -8.621 498 HB1 ALA 73 HB1 ALA 73 -3.752 4.242 -9.891 499 HB2 ALA 73 HB2 ALA 73 -3.396 2.680 -9.157 500 HB3 ALA 73 HB3 ALA 73 -2.224 3.439 -10.233 501 H ASN 74 HN ASN 74 -1.902 4.539 -5.921 502 HA ASN 74 HA ASN 74 -3.037 4.427 -3.964 503 HB2 ASN 74 HB2 ASN 74 -3.298 6.765 -4.456 504 HB3 ASN 74 HB1 ASN 74 -4.733 6.442 -5.424 505 HD21 ASN 74 HD21 ASN 74 -3.420 6.345 -2.168 506 HD22 ASN 74 HD22 ASN 74 -4.936 6.469 -1.354 507 H ASP 75 HN ASP 75 -5.718 4.783 -6.259 508 HA ASP 75 HA ASP 75 -6.916 2.283 -5.332 509 HB2 ASP 75 HB2 ASP 75 -7.792 3.984 -3.811 510 HB3 ASP 75 HB1 ASP 75 -8.262 4.996 -5.168 511 H TYR 76 HN TYR 76 -5.892 4.117 -7.824 512 HA TYR 76 HA TYR 76 -8.309 3.830 -9.465 513 HB2 TYR 76 HB2 TYR 76 -5.768 5.370 -9.936 514 HB3 TYR 76 HB1 TYR 76 -7.157 5.342 -11.022 515 HD1 TYR 76 HD1 TYR 76 -9.393 6.187 -10.085 516 HD2 TYR 76 HD2 TYR 76 -5.658 6.930 -8.201 517 HE1 TYR 76 HE1 TYR 76 -10.393 8.053 -8.853 518 HE2 TYR 76 HE2 TYR 76 -6.643 8.795 -6.961 519 HH TYR 76 HH TYR 76 -9.979 9.298 -6.745 Start of MODEL 9 1 H1 GLY 10 HT1 GLY 10 -12.423 7.551 -3.200 2 H2 GLY 10 HT2 GLY 10 -11.136 8.626 -3.004 3 H3 GLY 10 HT3 GLY 10 -11.846 7.902 -1.653 4 HA2 GLY 10 HA1 GLY 10 -10.346 6.486 -3.783 5 HA3 GLY 10 HA2 GLY 10 -9.729 6.865 -2.183 6 H THR 11 HN THR 11 -9.371 4.613 -1.819 7 HA THR 11 HA THR 11 -11.660 2.842 -1.828 8 HB THR 11 HB THR 11 -9.083 1.936 -0.701 9 HG1 THR 11 HG1 THR 11 -9.367 2.515 -3.485 10 HG21 THR 11 HG21 THR 11 -10.572 0.195 -1.016 11 HG22 THR 11 HG22 THR 11 -9.622 0.131 -2.504 12 HG23 THR 11 HG23 THR 11 -11.213 0.884 -2.509 13 H TYR 12 HN TYR 12 -10.182 1.434 0.462 14 HA TYR 12 HA TYR 12 -11.153 2.995 2.733 15 HB2 TYR 12 HB2 TYR 12 -11.974 0.138 2.508 16 HB3 TYR 12 HB1 TYR 12 -12.668 1.417 3.495 17 HD1 TYR 12 HD1 TYR 12 -12.522 -0.043 0.154 18 HD2 TYR 12 HD2 TYR 12 -14.314 2.881 2.632 19 HE1 TYR 12 HE1 TYR 12 -14.274 0.311 -1.542 20 HE2 TYR 12 HE2 TYR 12 -16.065 3.247 0.986 21 HH TYR 12 HH TYR 12 -16.439 2.959 -1.415 22 H ARG 13 HN ARG 13 -10.934 1.140 4.683 23 HA ARG 13 HA ARG 13 -8.932 -0.841 4.262 24 HB2 ARG 13 HB2 ARG 13 -7.485 1.131 4.463 25 HB3 ARG 13 HB1 ARG 13 -8.227 1.502 6.003 26 HG2 ARG 13 HG2 ARG 13 -7.023 -1.181 5.751 27 HG3 ARG 13 HG1 ARG 13 -5.914 0.194 5.760 28 HD2 ARG 13 HD2 ARG 13 -7.906 -0.595 7.869 29 HD3 ARG 13 HD1 ARG 13 -6.139 -0.571 7.992 30 HE ARG 13 HE ARG 13 -6.849 2.015 7.407 31 HH11 ARG 13 HH11 ARG 13 -7.657 -0.269 9.929 32 HH12 ARG 13 HH12 ARG 13 -7.896 0.951 11.138 33 HH21 ARG 13 HH21 ARG 13 -7.147 3.626 8.997 34 HH22 ARG 13 HH22 ARG 13 -7.599 3.169 10.609 35 H GLY 14 HN GLY 14 -9.648 -2.484 5.431 36 HA2 GLY 14 HA2 GLY 14 -9.987 -3.336 7.703 37 HA3 GLY 14 HA1 GLY 14 -10.890 -1.866 8.029 38 H ARG 15 HN ARG 15 -12.466 -1.744 5.795 39 HA ARG 15 HA ARG 15 -14.511 -3.537 6.680 40 HB2 ARG 15 HB2 ARG 15 -15.882 -2.193 4.955 41 HB3 ARG 15 HB1 ARG 15 -15.274 -1.356 6.370 42 HG2 ARG 15 HG2 ARG 15 -14.755 0.141 4.740 43 HG3 ARG 15 HG1 ARG 15 -13.257 -0.787 4.829 44 HD2 ARG 15 HD2 ARG 15 -13.805 -0.491 2.526 45 HD3 ARG 15 HD1 ARG 15 -14.108 -2.188 2.944 46 HE ARG 15 HE ARG 15 -16.425 -0.484 3.172 47 HH11 ARG 15 HH11 ARG 15 -14.538 -2.491 1.014 48 HH12 ARG 15 HH12 ARG 15 -15.851 -2.780 -0.076 49 HH21 ARG 15 HH21 ARG 15 -18.160 -0.866 1.737 50 HH22 ARG 15 HH22 ARG 15 -17.917 -1.866 0.342 51 H GLY 16 HN GLY 16 -12.908 -5.319 5.692 52 HA2 GLY 16 HA2 GLY 16 -12.809 -7.072 4.189 53 HA3 GLY 16 HA1 GLY 16 -14.380 -6.530 3.608 54 H VAL 17 HN VAL 17 -11.631 -4.466 3.637 55 HA VAL 17 HA VAL 17 -11.959 -3.499 1.099 56 HB VAL 17 HB VAL 17 -9.389 -2.964 1.244 57 HG11 VAL 17 HG11 VAL 17 -11.470 -1.845 3.114 58 HG12 VAL 17 HG12 VAL 17 -11.231 -1.403 1.418 59 HG13 VAL 17 HG13 VAL 17 -9.979 -1.039 2.617 60 HG21 VAL 17 HG21 VAL 17 -8.734 -4.441 2.977 61 HG22 VAL 17 HG22 VAL 17 -10.080 -3.955 4.012 62 HG23 VAL 17 HG23 VAL 17 -8.761 -2.828 3.699 63 H ALA 18 HN ALA 18 -11.374 -3.897 -0.831 64 HA ALA 18 HA ALA 18 -9.639 -6.210 -1.370 65 HB1 ALA 18 HB1 ALA 18 -11.929 -6.526 -2.196 66 HB2 ALA 18 HB2 ALA 18 -10.772 -6.425 -3.523 67 HB3 ALA 18 HB3 ALA 18 -11.792 -5.039 -3.134 68 H LEU 19 HN LEU 19 -9.918 -2.899 -1.404 69 HA LEU 19 HA LEU 19 -8.617 -1.208 -2.126 70 HB2 LEU 19 HB2 LEU 19 -6.988 -2.640 -1.023 71 HB3 LEU 19 HB1 LEU 19 -6.689 -3.466 -2.497 72 HG LEU 19 HG LEU 19 -4.979 -1.855 -1.664 73 HD11 LEU 19 HD11 LEU 19 -4.678 -0.811 -3.965 74 HD12 LEU 19 HD12 LEU 19 -6.064 -1.809 -4.411 75 HD13 LEU 19 HD13 LEU 19 -4.601 -2.560 -3.781 76 HD21 LEU 19 HD21 LEU 19 -5.397 0.516 -2.415 77 HD22 LEU 19 HD22 LEU 19 -6.148 -0.028 -0.918 78 HD23 LEU 19 HD23 LEU 19 -7.111 0.089 -2.394 79 H THR 20 HN THR 20 -7.417 -0.362 -4.227 80 HA THR 20 HA THR 20 -8.888 -0.999 -6.511 81 HB THR 20 HB THR 20 -7.753 1.109 -6.429 82 HG1 THR 20 HG1 THR 20 -6.288 0.485 -8.499 83 HG21 THR 20 HG21 THR 20 -5.155 -0.406 -6.585 84 HG22 THR 20 HG22 THR 20 -5.774 0.415 -5.152 85 HG23 THR 20 HG23 THR 20 -5.349 1.351 -6.588 86 H ASP 21 HN ASP 21 -7.719 -1.819 -8.627 87 HA ASP 21 HA ASP 21 -7.714 -4.575 -8.011 88 HB2 ASP 21 HB2 ASP 21 -7.624 -4.996 -10.367 89 HB3 ASP 21 HB1 ASP 21 -8.645 -3.590 -10.106 90 H ASP 22 HN ASP 22 -5.049 -2.457 -9.009 91 HA ASP 22 HA ASP 22 -3.266 -4.690 -9.369 92 HB2 ASP 22 HB2 ASP 22 -3.093 -2.721 -10.797 93 HB3 ASP 22 HB1 ASP 22 -2.743 -1.729 -9.391 94 H GLU 23 HN GLU 23 -3.116 -1.860 -7.301 95 HA GLU 23 HA GLU 23 -1.004 -2.406 -5.725 96 HB2 GLU 23 HB2 GLU 23 -3.387 -0.822 -5.497 97 HB3 GLU 23 HB1 GLU 23 -2.818 -1.317 -3.905 98 HG2 GLU 23 HG2 GLU 23 -0.620 -0.345 -4.458 99 HG3 GLU 23 HG1 GLU 23 -1.197 0.073 -6.065 100 H TYR 24 HN TYR 24 -4.203 -3.874 -5.232 101 HA TYR 24 HA TYR 24 -3.644 -4.913 -2.668 102 HB2 TYR 24 HB2 TYR 24 -5.907 -4.695 -3.644 103 HB3 TYR 24 HB1 TYR 24 -5.524 -5.980 -4.782 104 HD1 TYR 24 HD2 TYR 24 -5.029 -8.291 -3.884 105 HD2 TYR 24 HD1 TYR 24 -6.777 -5.243 -1.443 106 HE1 TYR 24 HE2 TYR 24 -5.844 -10.003 -2.326 107 HE2 TYR 24 HE1 TYR 24 -7.598 -6.970 0.094 108 HH TYR 24 HH TYR 24 -8.177 -9.448 -0.031 109 H ASP 25 HN ASP 25 -3.770 -6.691 -5.748 110 HA ASP 25 HA ASP 25 -2.356 -8.946 -5.027 111 HB2 ASP 25 HB2 ASP 25 -3.393 -8.614 -7.255 112 HB3 ASP 25 HB1 ASP 25 -2.077 -7.534 -7.687 113 H GLU 26 HN GLU 26 -1.075 -5.835 -6.028 114 HA GLU 26 HA GLU 26 1.655 -6.579 -5.966 115 HB2 GLU 26 HB2 GLU 26 0.252 -3.924 -5.837 116 HB3 GLU 26 HB1 GLU 26 2.004 -4.067 -5.856 117 HG2 GLU 26 HG2 GLU 26 0.150 -5.123 -7.978 118 HG3 GLU 26 HG1 GLU 26 1.032 -3.602 -8.070 119 H TRP 27 HN TRP 27 -0.565 -5.736 -3.425 120 HA TRP 27 HA TRP 27 1.348 -5.133 -1.418 121 HB2 TRP 27 HB2 TRP 27 -0.688 -4.572 -0.581 122 HB3 TRP 27 HB1 TRP 27 -1.521 -5.813 -1.504 123 HD1 TRP 27 HD1 TRP 27 0.480 -5.464 1.848 124 HE1 TRP 27 HE1 TRP 27 -0.402 -7.280 3.434 125 HE3 TRP 27 HE3 TRP 27 -2.622 -7.967 -1.375 126 HZ2 TRP 27 HZ2 TRP 27 -2.172 -9.437 3.346 127 HZ3 TRP 27 HZ3 TRP 27 -3.868 -9.910 -0.528 128 HH2 TRP 27 HH2 TRP 27 -3.637 -10.640 1.788 129 H ARG 28 HN ARG 28 0.006 -8.096 -2.692 130 HA ARG 28 HA ARG 28 1.095 -9.899 -0.868 131 HB2 ARG 28 HB2 ARG 28 0.741 -10.295 -3.837 132 HB3 ARG 28 HB1 ARG 28 0.883 -11.556 -2.621 133 HG2 ARG 28 HG2 ARG 28 -1.236 -9.678 -2.021 134 HG3 ARG 28 HG1 ARG 28 -1.443 -10.478 -3.568 135 HD2 ARG 28 HD2 ARG 28 -2.536 -11.707 -1.756 136 HD3 ARG 28 HD1 ARG 28 -1.252 -12.650 -2.507 137 HE ARG 28 HE ARG 28 0.024 -11.513 -0.442 138 HH11 ARG 28 HH11 ARG 28 -3.042 -13.204 -0.605 139 HH12 ARG 28 HH12 ARG 28 -2.881 -13.894 0.980 140 HH21 ARG 28 HH21 ARG 28 0.225 -12.406 1.643 141 HH22 ARG 28 HH22 ARG 28 -1.033 -13.428 2.266 142 H GLU 29 HN GLU 29 2.450 -8.276 -3.690 143 HA GLU 29 HA GLU 29 5.038 -9.476 -3.468 144 HB2 GLU 29 HB2 GLU 29 4.247 -8.471 -5.577 145 HB3 GLU 29 HB1 GLU 29 4.253 -6.885 -4.816 146 HG2 GLU 29 HG2 GLU 29 6.605 -6.883 -4.614 147 HG3 GLU 29 HG1 GLU 29 6.713 -8.592 -5.023 148 H HIS 30 HN HIS 30 3.631 -6.418 -2.328 149 HA HIS 30 HA HIS 30 5.795 -5.267 -1.071 150 HB2 HIS 30 HB2 HIS 30 3.609 -4.186 -1.068 151 HB3 HIS 30 HB1 HIS 30 2.951 -5.447 -0.037 152 HD1 HIS 30 HD1 HIS 30 2.290 -3.841 1.851 153 HD2 HIS 30 HD2 HIS 30 6.329 -3.675 0.899 154 HE1 HIS 30 HE1 HIS 30 3.354 -2.451 3.666 155 HE2 HIS 30 HE2 HIS 30 5.763 -2.225 2.964 156 H ASN 31 HN ASN 31 3.748 -7.875 0.147 157 HA ASN 31 HA ASN 31 4.876 -8.352 2.623 158 HB2 ASN 31 HB2 ASN 31 2.897 -9.533 1.733 159 HB3 ASN 31 HB1 ASN 31 3.928 -10.399 0.603 160 HD21 ASN 31 HD21 ASN 31 2.754 -10.213 3.828 161 HD22 ASN 31 HD22 ASN 31 3.513 -11.647 4.422 162 H ALA 32 HN ALA 32 5.824 -9.666 -0.508 163 HA ALA 32 HA ALA 32 8.075 -11.114 0.388 164 HB1 ALA 32 HB1 ALA 32 7.575 -10.028 -2.367 165 HB2 ALA 32 HB2 ALA 32 6.857 -11.508 -1.727 166 HB3 ALA 32 HB3 ALA 32 8.603 -11.391 -1.922 167 H SER 33 HN SER 33 7.941 -8.080 -1.484 168 HA SER 33 HA SER 33 10.688 -7.770 -1.687 169 HB2 SER 33 HB2 SER 33 9.082 -6.643 -3.151 170 HB3 SER 33 HB1 SER 33 8.572 -5.619 -1.818 171 HG SER 33 HG SER 33 11.295 -5.712 -2.481 172 H ARG 34 HN ARG 34 8.552 -6.522 0.860 173 HA ARG 34 HA ARG 34 10.816 -5.045 1.958 174 HB2 ARG 34 HB2 ARG 34 7.905 -5.052 2.668 175 HB3 ARG 34 HB1 ARG 34 9.120 -4.224 3.634 176 HG2 ARG 34 HG2 ARG 34 8.535 -3.693 0.729 177 HG3 ARG 34 HG1 ARG 34 7.987 -2.713 2.087 178 HD2 ARG 34 HD2 ARG 34 10.863 -3.223 1.339 179 HD3 ARG 34 HD1 ARG 34 9.956 -1.764 0.967 180 HE ARG 34 HE ARG 34 10.034 -2.401 3.776 181 HH11 ARG 34 HH11 ARG 34 11.694 -0.800 1.152 182 HH12 ARG 34 HH12 ARG 34 12.505 0.335 2.179 183 HH21 ARG 34 HH21 ARG 34 11.124 -0.920 5.148 184 HH22 ARG 34 HH22 ARG 34 12.188 0.262 4.449 185 H LYS 35 HN LYS 35 9.798 -8.083 2.086 186 HA LYS 35 HA LYS 35 10.123 -9.855 3.444 187 HB2 LYS 35 HB2 LYS 35 12.281 -8.029 4.463 188 HB3 LYS 35 HB1 LYS 35 12.085 -9.670 5.051 189 HG2 LYS 35 HG2 LYS 35 13.770 -9.751 3.407 190 HG3 LYS 35 HG1 LYS 35 12.324 -10.430 2.659 191 HD2 LYS 35 HD2 LYS 35 11.888 -8.220 1.621 192 HD3 LYS 35 HD1 LYS 35 13.416 -7.643 2.284 193 HE2 LYS 35 HE2 LYS 35 13.099 -9.955 0.378 194 HE3 LYS 35 HE1 LYS 35 13.599 -8.330 -0.073 195 HZ1 LYS 35 HZ1 LYS 35 15.541 -8.586 1.358 196 HZ2 LYS 35 HZ2 LYS 35 15.499 -9.778 0.159 197 HZ3 LYS 35 HZ3 LYS 35 15.064 -10.160 1.747 198 H LEU 36 HN LEU 36 7.923 -8.772 4.180 199 HA LEU 36 HA LEU 36 7.970 -8.736 7.083 200 HB2 LEU 36 HB2 LEU 36 6.077 -6.896 6.794 201 HB3 LEU 36 HB1 LEU 36 7.771 -6.451 6.926 202 HG LEU 36 HG LEU 36 7.879 -6.226 4.468 203 HD11 LEU 36 HD11 LEU 36 5.622 -6.097 3.308 204 HD12 LEU 36 HD12 LEU 36 5.000 -7.017 4.683 205 HD13 LEU 36 HD13 LEU 36 6.266 -7.698 3.665 206 HD21 LEU 36 HD21 LEU 36 6.600 -4.180 4.312 207 HD22 LEU 36 HD22 LEU 36 7.370 -4.297 5.896 208 HD23 LEU 36 HD23 LEU 36 5.645 -4.643 5.726 209 H ASP 37 HN ASP 37 5.383 -8.554 7.635 210 HA ASP 37 HA ASP 37 3.896 -10.210 5.760 211 HB2 ASP 37 HB2 ASP 37 5.093 -11.804 7.265 212 HB3 ASP 37 HB1 ASP 37 4.260 -11.075 8.637 213 H LEU 38 HN LEU 38 2.832 -8.199 5.595 214 HA LEU 38 HA LEU 38 1.150 -7.492 7.881 215 HB2 LEU 38 HB2 LEU 38 1.015 -5.326 7.081 216 HB3 LEU 38 HB1 LEU 38 2.630 -5.787 6.697 217 HG LEU 38 HG LEU 38 0.434 -5.853 4.774 218 HD11 LEU 38 HD11 LEU 38 1.475 -3.808 3.866 219 HD12 LEU 38 HD12 LEU 38 2.584 -3.818 5.244 220 HD13 LEU 38 HD13 LEU 38 0.846 -3.588 5.502 221 HD21 LEU 38 HD21 LEU 38 2.213 -6.008 3.095 222 HD22 LEU 38 HD22 LEU 38 2.245 -7.377 4.207 223 HD23 LEU 38 HD23 LEU 38 3.404 -6.061 4.393 224 H SER 39 HN SER 39 -1.008 -7.028 7.546 225 HA SER 39 HA SER 39 -2.243 -8.672 5.513 226 HB2 SER 39 HB2 SER 39 -3.557 -6.934 7.598 227 HB3 SER 39 HB1 SER 39 -4.339 -8.183 6.639 228 HG SER 39 HG SER 39 -2.653 -9.607 7.655 229 H VAL 40 HN VAL 40 -4.220 -7.586 4.346 230 HA VAL 40 HA VAL 40 -2.959 -5.714 2.672 231 HB VAL 40 HB VAL 40 -4.977 -7.404 2.251 232 HG11 VAL 40 HG11 VAL 40 -6.676 -6.251 3.517 233 HG12 VAL 40 HG12 VAL 40 -7.055 -6.137 1.798 234 HG13 VAL 40 HG13 VAL 40 -6.362 -4.752 2.642 235 HG21 VAL 40 HG21 VAL 40 -4.561 -4.823 0.792 236 HG22 VAL 40 HG22 VAL 40 -5.256 -6.307 0.134 237 HG23 VAL 40 HG23 VAL 40 -3.568 -6.280 0.653 238 H GLU 41 HN GLU 41 -5.475 -5.387 5.095 239 HA GLU 41 HA GLU 41 -6.137 -2.751 4.802 240 HB2 GLU 41 HB2 GLU 41 -5.708 -4.124 7.459 241 HB3 GLU 41 HB1 GLU 41 -6.711 -2.704 7.151 242 HG2 GLU 41 HG2 GLU 41 -8.263 -3.958 5.887 243 HG3 GLU 41 HG1 GLU 41 -7.188 -5.352 5.825 244 H ASP 42 HN ASP 42 -3.437 -3.972 6.816 245 HA ASP 42 HA ASP 42 -2.381 -1.536 7.504 246 HB2 ASP 42 HB2 ASP 42 -0.902 -4.116 6.946 247 HB3 ASP 42 HB1 ASP 42 -0.223 -2.733 7.788 248 H PHE 43 HN PHE 43 -1.825 -3.389 4.525 249 HA PHE 43 HA PHE 43 0.105 -1.669 3.396 250 HB2 PHE 43 HB2 PHE 43 -0.224 -3.774 2.327 251 HB3 PHE 43 HB1 PHE 43 -1.945 -3.492 2.138 252 HD1 PHE 43 HD2 PHE 43 -2.644 -1.598 0.519 253 HD2 PHE 43 HD1 PHE 43 1.262 -3.294 0.554 254 HE1 PHE 43 HE2 PHE 43 -2.212 -0.699 -1.735 255 HE2 PHE 43 HE1 PHE 43 1.693 -2.388 -1.664 256 HZ PHE 43 HZ PHE 43 -0.175 -1.305 -2.921 257 H LEU 44 HN LEU 44 -3.384 -1.868 3.060 258 HA LEU 44 HA LEU 44 -3.762 0.257 1.335 259 HB2 LEU 44 HB2 LEU 44 -5.753 -0.468 3.480 260 HB3 LEU 44 HB1 LEU 44 -6.083 0.171 1.879 261 HG LEU 44 HG LEU 44 -5.494 -2.614 2.728 262 HD11 LEU 44 HD11 LEU 44 -7.342 -1.327 0.744 263 HD12 LEU 44 HD12 LEU 44 -7.754 -2.030 2.309 264 HD13 LEU 44 HD13 LEU 44 -7.194 -3.074 0.990 265 HD21 LEU 44 HD21 LEU 44 -4.516 -1.395 0.213 266 HD22 LEU 44 HD22 LEU 44 -5.213 -3.014 0.152 267 HD23 LEU 44 HD23 LEU 44 -3.833 -2.692 1.201 268 H MET 45 HN MET 45 -3.425 0.243 4.839 269 HA MET 45 HA MET 45 -3.927 2.984 5.274 270 HB2 MET 45 HB2 MET 45 -1.961 1.177 6.696 271 HB3 MET 45 HB1 MET 45 -2.457 2.765 7.263 272 HG2 MET 45 HG2 MET 45 -4.823 1.843 7.251 273 HG3 MET 45 HG1 MET 45 -4.080 0.252 7.079 274 HE1 MET 45 HE1 MET 45 -1.440 0.625 8.665 275 HE2 MET 45 HE2 MET 45 -2.370 -0.788 9.171 276 HE3 MET 45 HE3 MET 45 -1.768 0.348 10.374 277 H LEU 46 HN LEU 46 -0.791 1.359 4.929 278 HA LEU 46 HA LEU 46 0.899 3.478 4.731 279 HB2 LEU 46 HB2 LEU 46 1.081 1.048 2.960 280 HB3 LEU 46 HB1 LEU 46 2.398 2.102 3.425 281 HG LEU 46 HG LEU 46 0.936 0.096 5.110 282 HD11 LEU 46 HD11 LEU 46 3.083 -0.848 5.445 283 HD12 LEU 46 HD12 LEU 46 3.873 0.524 4.673 284 HD13 LEU 46 HD13 LEU 46 2.884 -0.575 3.713 285 HD21 LEU 46 HD21 LEU 46 1.175 2.313 6.290 286 HD22 LEU 46 HD22 LEU 46 2.926 2.096 6.152 287 HD23 LEU 46 HD23 LEU 46 1.960 0.934 7.064 288 H ARG 47 HN ARG 47 -0.720 1.984 1.935 289 HA ARG 47 HA ARG 47 0.279 3.862 0.064 290 HB2 ARG 47 HB2 ARG 47 -1.640 3.023 -1.384 291 HB3 ARG 47 HB1 ARG 47 -0.472 1.824 -0.843 292 HG2 ARG 47 HG2 ARG 47 -2.050 0.650 0.143 293 HG3 ARG 47 HG1 ARG 47 -2.603 2.052 1.048 294 HD2 ARG 47 HD2 ARG 47 -3.407 1.300 -1.741 295 HD3 ARG 47 HD1 ARG 47 -4.389 1.155 -0.283 296 HE ARG 47 HE ARG 47 -4.092 3.688 -0.181 297 HH11 ARG 47 HH11 ARG 47 -4.026 1.956 -3.198 298 HH12 ARG 47 HH12 ARG 47 -4.974 3.144 -4.053 299 HH21 ARG 47 HH21 ARG 47 -5.299 5.291 -1.316 300 HH22 ARG 47 HH22 ARG 47 -5.667 5.049 -2.990 301 H HIS 48 HN HIS 48 -2.828 3.599 1.688 302 HA HIS 48 HA HIS 48 -4.144 5.804 0.843 303 HB2 HIS 48 HB2 HIS 48 -4.118 4.245 3.296 304 HB3 HIS 48 HB1 HIS 48 -4.582 5.925 3.587 305 HD1 HIS 48 HD1 HIS 48 -6.980 4.907 4.189 306 HD2 HIS 48 HD2 HIS 48 -5.771 4.530 0.239 307 HE1 HIS 48 HE1 HIS 48 -9.031 4.196 2.927 308 HE2 HIS 48 HE2 HIS 48 -8.214 3.743 0.591 309 H ARG 49 HN ARG 49 -1.921 5.857 3.652 310 HA ARG 49 HA ARG 49 -2.192 8.622 4.032 311 HB2 ARG 49 HB2 ARG 49 0.250 7.018 4.713 312 HB3 ARG 49 HB1 ARG 49 -0.311 8.506 5.479 313 HG2 ARG 49 HG2 ARG 49 -2.378 7.229 6.152 314 HG3 ARG 49 HG1 ARG 49 -1.537 5.765 5.624 315 HD2 ARG 49 HD2 ARG 49 0.369 6.801 7.100 316 HD3 ARG 49 HD1 ARG 49 -0.995 7.558 7.908 317 HE ARG 49 HE ARG 49 -0.508 4.657 7.703 318 HH11 ARG 49 HH11 ARG 49 -2.177 7.369 9.163 319 HH12 ARG 49 HH12 ARG 49 -2.843 6.427 10.456 320 HH21 ARG 49 HH21 ARG 49 -1.364 3.425 9.427 321 HH22 ARG 49 HH22 ARG 49 -2.375 4.188 10.612 322 H ALA 50 HN ALA 50 0.355 6.788 2.446 323 HA ALA 50 HA ALA 50 1.936 8.885 1.542 324 HB1 ALA 50 HB1 ALA 50 2.622 6.528 1.506 325 HB2 ALA 50 HB2 ALA 50 2.890 7.327 -0.043 326 HB3 ALA 50 HB3 ALA 50 1.515 6.240 0.162 327 H ALA 51 HN ALA 51 -0.443 7.074 -0.444 328 HA ALA 51 HA ALA 51 -0.299 8.720 -2.671 329 HB1 ALA 51 HB1 ALA 51 -2.734 7.180 -1.809 330 HB2 ALA 51 HB2 ALA 51 -1.309 6.442 -2.544 331 HB3 ALA 51 HB3 ALA 51 -2.259 7.619 -3.452 332 H LEU 52 HN LEU 52 -2.195 9.160 0.261 333 HA LEU 52 HA LEU 52 -3.850 11.171 -1.039 334 HB2 LEU 52 HB2 LEU 52 -3.863 10.564 1.906 335 HB3 LEU 52 HB1 LEU 52 -5.152 11.228 0.916 336 HG LEU 52 HG LEU 52 -4.131 8.406 0.724 337 HD11 LEU 52 HD11 LEU 52 -5.205 8.750 2.840 338 HD12 LEU 52 HD12 LEU 52 -6.228 7.766 1.784 339 HD13 LEU 52 HD13 LEU 52 -6.609 9.472 2.043 340 HD21 LEU 52 HD21 LEU 52 -6.489 9.748 -0.557 341 HD22 LEU 52 HD22 LEU 52 -6.122 8.014 -0.623 342 HD23 LEU 52 HD23 LEU 52 -5.022 9.185 -1.366 343 H GLY 53 HN GLY 53 -2.054 11.285 2.070 344 HA2 GLY 53 HA2 GLY 53 -0.193 13.202 1.430 345 HA3 GLY 53 HA1 GLY 53 -1.649 14.106 1.811 346 H ALA 54 HN ALA 54 -0.666 11.090 3.358 347 HA ALA 54 HA ALA 54 -0.169 12.587 5.837 348 HB1 ALA 54 HB1 ALA 54 -0.967 10.518 7.018 349 HB2 ALA 54 HB2 ALA 54 -1.530 9.935 5.451 350 HB3 ALA 54 HB3 ALA 54 -2.208 11.407 6.137 351 H ASP 55 HN ASP 55 1.597 11.933 7.084 352 HA ASP 55 HA ASP 55 3.461 10.210 5.599 353 HB2 ASP 55 HB2 ASP 55 4.039 12.818 6.998 354 HB3 ASP 55 HB1 ASP 55 5.289 11.723 6.416 355 H ASP 56 HN ASP 56 1.911 9.150 7.646 356 HA ASP 56 HA ASP 56 3.464 8.793 9.988 357 HB2 ASP 56 HB2 ASP 56 1.168 8.024 9.972 358 HB3 ASP 56 HB1 ASP 56 1.508 6.933 8.636 359 H ASN 57 HN ASN 57 5.325 7.701 10.277 360 HA ASN 57 HA ASN 57 6.992 7.285 8.232 361 HB2 ASN 57 HB2 ASN 57 8.471 6.124 9.672 362 HB3 ASN 57 HB1 ASN 57 7.699 7.428 10.560 363 HD21 ASN 57 HD21 ASN 57 8.431 4.148 10.494 364 HD22 ASN 57 HD22 ASN 57 7.467 3.648 11.840 365 H ASP 58 HN ASP 58 4.849 4.696 9.434 366 HA ASP 58 HA ASP 58 6.190 2.617 8.028 367 HB2 ASP 58 HB2 ASP 58 4.074 2.699 9.764 368 HB3 ASP 58 HB1 ASP 58 3.312 2.295 8.235 369 H ALA 59 HN ALA 59 3.595 4.735 7.289 370 HA ALA 59 HA ALA 59 3.104 3.929 4.628 371 HB1 ALA 59 HB1 ALA 59 1.548 5.307 5.894 372 HB2 ALA 59 HB2 ALA 59 1.976 6.050 4.346 373 HB3 ALA 59 HB3 ALA 59 2.702 6.649 5.839 374 H VAL 60 HN VAL 60 5.526 6.111 6.005 375 HA VAL 60 HA VAL 60 6.146 7.228 3.438 376 HB VAL 60 HB VAL 60 7.839 8.482 4.411 377 HG11 VAL 60 HG11 VAL 60 6.873 9.387 6.513 378 HG12 VAL 60 HG12 VAL 60 5.717 8.052 6.491 379 HG13 VAL 60 HG13 VAL 60 5.724 9.238 5.185 380 HG21 VAL 60 HG21 VAL 60 7.964 6.529 6.679 381 HG22 VAL 60 HG22 VAL 60 8.834 8.062 6.622 382 HG23 VAL 60 HG23 VAL 60 9.177 6.807 5.429 383 H LYS 61 HN LYS 61 7.480 4.719 5.526 384 HA LYS 61 HA LYS 61 9.665 3.998 3.911 385 HB2 LYS 61 HB2 LYS 61 7.943 2.281 5.694 386 HB3 LYS 61 HB1 LYS 61 9.570 1.891 5.146 387 HG2 LYS 61 HG2 LYS 61 10.557 3.405 6.552 388 HG3 LYS 61 HG1 LYS 61 9.126 4.449 6.606 389 HD2 LYS 61 HD2 LYS 61 9.727 3.058 8.708 390 HD3 LYS 61 HD1 LYS 61 8.051 3.070 8.164 391 HE2 LYS 61 HE2 LYS 61 8.471 0.948 6.973 392 HE3 LYS 61 HE1 LYS 61 10.098 0.920 7.644 393 HZ1 LYS 61 HZ1 LYS 61 9.097 0.882 9.873 394 HZ2 LYS 61 HZ2 LYS 61 8.647 -0.459 8.949 395 HZ3 LYS 61 HZ3 LYS 61 7.554 0.810 9.182 396 H PHE 62 HN PHE 62 6.264 3.248 3.811 397 HA PHE 62 HA PHE 62 6.322 1.279 1.799 398 HB2 PHE 62 HB2 PHE 62 4.321 1.729 3.161 399 HB3 PHE 62 HB1 PHE 62 4.183 3.328 2.437 400 HD1 PHE 62 HD2 PHE 62 4.153 -0.313 1.588 401 HD2 PHE 62 HD1 PHE 62 3.004 3.650 0.497 402 HE1 PHE 62 HE2 PHE 62 2.748 -1.213 -0.211 403 HE2 PHE 62 HE1 PHE 62 1.598 2.742 -1.305 404 HZ PHE 62 HZ PHE 62 1.550 0.226 -1.678 405 H ARG 63 HN ARG 63 5.570 4.736 1.643 406 HA ARG 63 HA ARG 63 5.522 5.118 -1.055 407 HB2 ARG 63 HB2 ARG 63 4.867 6.844 0.424 408 HB3 ARG 63 HB1 ARG 63 6.409 6.842 1.247 409 HG2 ARG 63 HG2 ARG 63 6.281 7.644 -1.622 410 HG3 ARG 63 HG1 ARG 63 5.767 8.774 -0.367 411 HD2 ARG 63 HD2 ARG 63 8.038 8.173 0.750 412 HD3 ARG 63 HD1 ARG 63 8.468 7.576 -0.847 413 HE ARG 63 HE ARG 63 7.554 10.045 -1.376 414 HH11 ARG 63 HH11 ARG 63 9.945 8.819 0.867 415 HH12 ARG 63 HH12 ARG 63 10.899 10.266 0.831 416 HH21 ARG 63 HH21 ARG 63 8.810 11.951 -1.426 417 HH22 ARG 63 HH22 ARG 63 10.257 12.047 -0.474 418 H SER 64 HN SER 64 8.367 5.839 0.942 419 HA SER 64 HA SER 64 10.196 6.352 -0.936 420 HB2 SER 64 HB2 SER 64 10.670 4.759 1.583 421 HB3 SER 64 HB1 SER 64 11.933 5.554 0.643 422 HG SER 64 HG SER 64 10.848 6.695 2.540 423 H TRP 65 HN TRP 65 9.321 3.060 0.043 424 HA TRP 65 HA TRP 65 11.242 1.874 -1.741 425 HB2 TRP 65 HB2 TRP 65 10.990 0.571 0.122 426 HB3 TRP 65 HB1 TRP 65 9.273 0.910 0.258 427 HD1 TRP 65 HD1 TRP 65 11.704 -1.431 -1.588 428 HE1 TRP 65 HE1 TRP 65 10.354 -3.490 -2.391 429 HE3 TRP 65 HE3 TRP 65 7.079 0.189 -0.385 430 HZ2 TRP 65 HZ2 TRP 65 7.632 -4.265 -2.513 431 HZ3 TRP 65 HZ3 TRP 65 5.131 -1.245 -0.859 432 HH2 TRP 65 HH2 TRP 65 5.410 -3.438 -1.898 433 H TRP 66 HN TRP 66 7.735 2.173 -1.632 434 HA TRP 66 HA TRP 66 7.312 0.545 -3.944 435 HB2 TRP 66 HB2 TRP 66 5.755 0.869 -1.961 436 HB3 TRP 66 HB1 TRP 66 5.367 2.447 -2.628 437 HD1 TRP 66 HD1 TRP 66 3.112 2.355 -3.725 438 HE1 TRP 66 HE1 TRP 66 1.804 0.701 -5.176 439 HE3 TRP 66 HE3 TRP 66 6.484 -1.463 -3.843 440 HZ2 TRP 66 HZ2 TRP 66 2.145 -1.844 -6.236 441 HZ3 TRP 66 HZ3 TRP 66 5.921 -3.492 -5.109 442 HH2 TRP 66 HH2 TRP 66 3.789 -3.686 -6.286 443 H ASN 67 HN ASN 67 7.901 3.912 -3.425 444 HA ASN 67 HA ASN 67 6.749 4.657 -6.001 445 HB2 ASN 67 HB2 ASN 67 7.726 6.166 -3.640 446 HB3 ASN 67 HB1 ASN 67 7.702 6.969 -5.205 447 HD21 ASN 67 HD21 ASN 67 5.792 5.477 -2.729 448 HD22 ASN 67 HD22 ASN 67 4.275 6.134 -3.227 449 H SER 68 HN SER 68 9.589 3.394 -5.023 450 HA SER 68 HA SER 68 11.160 4.924 -6.948 451 HB2 SER 68 HB2 SER 68 12.005 2.665 -5.105 452 HB3 SER 68 HB1 SER 68 13.080 3.577 -6.162 453 HG SER 68 HG SER 68 11.632 4.526 -3.906 454 H ARG 69 HN ARG 69 9.121 2.325 -6.760 455 HA ARG 69 HA ARG 69 10.416 0.886 -8.964 456 HB2 ARG 69 HB2 ARG 69 9.042 -1.108 -8.020 457 HB3 ARG 69 HB1 ARG 69 10.541 -0.655 -7.240 458 HG2 ARG 69 HG2 ARG 69 9.301 0.532 -5.519 459 HG3 ARG 69 HG1 ARG 69 7.788 0.102 -6.317 460 HD2 ARG 69 HD2 ARG 69 8.296 -1.361 -4.415 461 HD3 ARG 69 HD1 ARG 69 8.211 -2.242 -5.938 462 HE ARG 69 HE ARG 69 10.776 -1.446 -4.711 463 HH11 ARG 69 HH11 ARG 69 8.719 -3.833 -6.244 464 HH12 ARG 69 HH12 ARG 69 9.925 -5.076 -6.210 465 HH21 ARG 69 HH21 ARG 69 12.356 -3.080 -4.659 466 HH22 ARG 69 HH22 ARG 69 12.001 -4.644 -5.317 467 H THR 70 HN THR 70 7.318 1.290 -7.370 468 HA THR 70 HA THR 70 5.873 0.866 -9.887 469 HB THR 70 HB THR 70 4.835 1.042 -7.073 470 HG1 THR 70 HG1 THR 70 5.202 -1.404 -8.452 471 HG21 THR 70 HG21 THR 70 3.629 0.008 -9.631 472 HG22 THR 70 HG22 THR 70 3.084 1.368 -8.638 473 HG23 THR 70 HG23 THR 70 2.943 -0.281 -8.030 474 H LYS 71 HN LYS 71 5.702 2.872 -6.996 475 HA LYS 71 HA LYS 71 4.840 4.908 -6.548 476 HB2 LYS 71 HB2 LYS 71 4.755 5.364 -9.509 477 HB3 LYS 71 HB1 LYS 71 4.620 6.563 -8.241 478 HG2 LYS 71 HG2 LYS 71 6.904 5.959 -7.488 479 HG3 LYS 71 HG1 LYS 71 7.035 4.912 -8.896 480 HD2 LYS 71 HD2 LYS 71 8.140 7.006 -9.314 481 HD3 LYS 71 HD1 LYS 71 6.708 6.876 -10.345 482 HE2 LYS 71 HE2 LYS 71 5.465 8.266 -8.710 483 HE3 LYS 71 HE1 LYS 71 6.952 8.452 -7.785 484 HZ1 LYS 71 HZ1 LYS 71 6.550 10.349 -9.226 485 HZ2 LYS 71 HZ2 LYS 71 6.537 9.345 -10.588 486 HZ3 LYS 71 HZ3 LYS 71 7.959 9.537 -9.690 487 H MET 72 HN MET 72 3.419 2.460 -7.196 488 HA MET 72 HA MET 72 1.339 1.615 -7.131 489 HB2 MET 72 HB2 MET 72 -0.161 2.899 -5.555 490 HB3 MET 72 HB1 MET 72 1.412 2.426 -4.955 491 HG2 MET 72 HG2 MET 72 1.274 4.541 -4.205 492 HG3 MET 72 HG1 MET 72 2.100 4.795 -5.730 493 HE1 MET 72 HE1 MET 72 -0.108 8.003 -5.454 494 HE2 MET 72 HE2 MET 72 1.525 7.362 -5.645 495 HE3 MET 72 HE3 MET 72 0.667 7.152 -4.118 496 H ALA 73 HN ALA 73 -1.140 2.702 -6.823 497 HA ALA 73 HA ALA 73 -1.827 4.318 -9.061 498 HB1 ALA 73 HB1 ALA 73 -1.509 2.191 -10.202 499 HB2 ALA 73 HB2 ALA 73 -3.217 2.622 -10.166 500 HB3 ALA 73 HB3 ALA 73 -2.594 1.404 -9.055 501 H ASN 74 HN ASN 74 -2.493 5.431 -7.164 502 HA ASN 74 HA ASN 74 -3.708 4.828 -4.925 503 HB2 ASN 74 HB2 ASN 74 -3.244 7.128 -5.877 504 HB3 ASN 74 HB1 ASN 74 -4.830 7.052 -6.629 505 HD21 ASN 74 HD21 ASN 74 -3.645 8.792 -4.529 506 HD22 ASN 74 HD22 ASN 74 -4.744 8.706 -3.197 507 H ASP 75 HN ASP 75 -5.780 5.446 -7.788 508 HA ASP 75 HA ASP 75 -7.347 3.121 -7.032 509 HB2 ASP 75 HB2 ASP 75 -9.501 4.282 -7.162 510 HB3 ASP 75 HB1 ASP 75 -8.508 4.992 -5.895 511 H TYR 76 HN TYR 76 -5.492 3.983 -9.125 512 HA TYR 76 HA TYR 76 -7.121 4.366 -11.501 513 HB2 TYR 76 HB2 TYR 76 -4.134 4.231 -11.124 514 HB3 TYR 76 HB1 TYR 76 -4.950 4.588 -12.643 515 HD1 TYR 76 HD1 TYR 76 -6.424 6.669 -12.746 516 HD2 TYR 76 HD2 TYR 76 -3.665 5.936 -9.595 517 HE1 TYR 76 HE1 TYR 76 -6.468 9.046 -12.164 518 HE2 TYR 76 HE2 TYR 76 -3.702 8.312 -9.000 519 HH TYR 76 HH TYR 76 -4.214 10.476 -10.065 Start of MODEL 10 1 H1 GLY 10 HT1 GLY 10 -10.466 8.790 -1.849 2 H2 GLY 10 HT2 GLY 10 -11.548 7.736 -1.091 3 H3 GLY 10 HT3 GLY 10 -11.282 7.620 -2.756 4 HA2 GLY 10 HA1 GLY 10 -8.989 6.973 -2.375 5 HA3 GLY 10 HA2 GLY 10 -9.269 7.083 -0.645 6 H THR 11 HN THR 11 -9.619 5.188 0.306 7 HA THR 11 HA THR 11 -11.377 3.247 -0.953 8 HB THR 11 HB THR 11 -9.085 1.920 0.293 9 HG1 THR 11 HG1 THR 11 -8.558 3.046 -2.250 10 HG21 THR 11 HG21 THR 11 -10.751 0.676 -0.917 11 HG22 THR 11 HG22 THR 11 -9.223 0.585 -1.804 12 HG23 THR 11 HG23 THR 11 -10.499 1.664 -2.360 13 H TYR 12 HN TYR 12 -10.263 1.380 1.203 14 HA TYR 12 HA TYR 12 -11.404 2.616 3.595 15 HB2 TYR 12 HB2 TYR 12 -12.239 -0.137 2.853 16 HB3 TYR 12 HB1 TYR 12 -13.029 1.017 3.916 17 HD1 TYR 12 HD1 TYR 12 -12.559 -0.041 0.460 18 HD2 TYR 12 HD2 TYR 12 -14.482 2.703 3.047 19 HE1 TYR 12 HE1 TYR 12 -14.071 0.616 -1.373 20 HE2 TYR 12 HE2 TYR 12 -15.997 3.366 1.262 21 HH TYR 12 HH TYR 12 -16.173 3.369 -1.099 22 H ARG 13 HN ARG 13 -11.364 0.556 5.304 23 HA ARG 13 HA ARG 13 -9.317 -1.385 4.701 24 HB2 ARG 13 HB2 ARG 13 -7.876 0.270 5.659 25 HB3 ARG 13 HB1 ARG 13 -8.993 0.550 6.992 26 HG2 ARG 13 HG2 ARG 13 -8.624 -1.783 7.728 27 HG3 ARG 13 HG1 ARG 13 -7.406 -1.951 6.465 28 HD2 ARG 13 HD2 ARG 13 -5.922 -0.596 7.523 29 HD3 ARG 13 HD1 ARG 13 -7.175 0.291 8.397 30 HE ARG 13 HE ARG 13 -6.843 -2.506 9.130 31 HH11 ARG 13 HH11 ARG 13 -6.116 0.840 9.869 32 HH12 ARG 13 HH12 ARG 13 -5.616 0.502 11.496 33 HH21 ARG 13 HH21 ARG 13 -6.203 -2.944 11.284 34 HH22 ARG 13 HH22 ARG 13 -5.658 -1.642 12.295 35 H GLY 14 HN GLY 14 -9.658 -3.304 5.753 36 HA2 GLY 14 HA2 GLY 14 -10.418 -4.757 7.390 37 HA3 GLY 14 HA1 GLY 14 -11.133 -3.395 8.231 38 H ARG 15 HN ARG 15 -12.671 -2.517 5.928 39 HA ARG 15 HA ARG 15 -14.965 -4.133 6.433 40 HB2 ARG 15 HB2 ARG 15 -16.094 -2.471 4.882 41 HB3 ARG 15 HB1 ARG 15 -15.354 -1.797 6.324 42 HG2 ARG 15 HG2 ARG 15 -14.573 -0.305 4.834 43 HG3 ARG 15 HG1 ARG 15 -13.300 -1.511 4.667 44 HD2 ARG 15 HD2 ARG 15 -13.959 -0.840 2.476 45 HD3 ARG 15 HD1 ARG 15 -14.579 -2.481 2.750 46 HE ARG 15 HE ARG 15 -16.326 -0.149 3.179 47 HH11 ARG 15 HH11 ARG 15 -15.643 -3.151 1.506 48 HH12 ARG 15 HH12 ARG 15 -17.158 -3.167 0.662 49 HH21 ARG 15 HH21 ARG 15 -18.317 -0.186 2.082 50 HH22 ARG 15 HH22 ARG 15 -18.678 -1.494 1.001 51 H GLY 16 HN GLY 16 -13.268 -5.843 5.266 52 HA2 GLY 16 HA2 GLY 16 -13.217 -7.423 3.589 53 HA3 GLY 16 HA1 GLY 16 -14.731 -6.741 3.005 54 H VAL 17 HN VAL 17 -11.884 -4.833 3.445 55 HA VAL 17 HA VAL 17 -12.062 -3.587 0.997 56 HB VAL 17 HB VAL 17 -9.501 -3.121 1.300 57 HG11 VAL 17 HG11 VAL 17 -11.355 -1.575 1.541 58 HG12 VAL 17 HG12 VAL 17 -10.112 -1.308 2.772 59 HG13 VAL 17 HG13 VAL 17 -11.614 -2.132 3.197 60 HG21 VAL 17 HG21 VAL 17 -8.984 -4.796 2.920 61 HG22 VAL 17 HG22 VAL 17 -10.313 -4.285 3.966 62 HG23 VAL 17 HG23 VAL 17 -8.918 -3.231 3.739 63 H ALA 18 HN ALA 18 -11.575 -3.921 -0.915 64 HA ALA 18 HA ALA 18 -9.824 -6.176 -1.621 65 HB1 ALA 18 HB1 ALA 18 -10.923 -6.150 -3.818 66 HB2 ALA 18 HB2 ALA 18 -11.949 -4.819 -3.284 67 HB3 ALA 18 HB3 ALA 18 -12.087 -6.400 -2.517 68 H LEU 19 HN LEU 19 -10.083 -2.869 -1.362 69 HA LEU 19 HA LEU 19 -8.778 -1.118 -1.941 70 HB2 LEU 19 HB2 LEU 19 -7.143 -2.615 -0.962 71 HB3 LEU 19 HB1 LEU 19 -6.883 -3.378 -2.482 72 HG LEU 19 HG LEU 19 -5.118 -1.858 -1.594 73 HD11 LEU 19 HD11 LEU 19 -4.614 -2.306 -3.700 74 HD12 LEU 19 HD12 LEU 19 -5.039 -0.603 -3.919 75 HD13 LEU 19 HD13 LEU 19 -6.211 -1.862 -4.292 76 HD21 LEU 19 HD21 LEU 19 -6.319 -0.058 -0.729 77 HD22 LEU 19 HD22 LEU 19 -7.152 0.221 -2.259 78 HD23 LEU 19 HD23 LEU 19 -5.422 0.551 -2.117 79 H THR 20 HN THR 20 -7.452 -0.229 -4.085 80 HA THR 20 HA THR 20 -9.053 -0.755 -6.322 81 HB THR 20 HB THR 20 -7.836 1.332 -6.225 82 HG1 THR 20 HG1 THR 20 -6.543 0.690 -8.415 83 HG21 THR 20 HG21 THR 20 -5.799 0.639 -5.126 84 HG22 THR 20 HG22 THR 20 -5.414 1.430 -6.655 85 HG23 THR 20 HG23 THR 20 -5.342 -0.333 -6.525 86 H ASP 21 HN ASP 21 -7.789 -1.513 -8.505 87 HA ASP 21 HA ASP 21 -7.742 -4.303 -7.972 88 HB2 ASP 21 HB2 ASP 21 -7.602 -4.654 -10.320 89 HB3 ASP 21 HB1 ASP 21 -8.627 -3.247 -10.077 90 H ASP 22 HN ASP 22 -5.144 -2.021 -8.661 91 HA ASP 22 HA ASP 22 -3.287 -4.140 -9.278 92 HB2 ASP 22 HB2 ASP 22 -3.309 -1.920 -10.413 93 HB3 ASP 22 HB1 ASP 22 -2.753 -1.207 -8.908 94 H GLU 23 HN GLU 23 -3.057 -1.483 -7.000 95 HA GLU 23 HA GLU 23 -0.961 -2.238 -5.499 96 HB2 GLU 23 HB2 GLU 23 -3.419 -1.059 -4.229 97 HB3 GLU 23 HB1 GLU 23 -1.753 -0.899 -3.701 98 HG2 GLU 23 HG2 GLU 23 -1.185 0.372 -5.665 99 HG3 GLU 23 HG1 GLU 23 -2.824 0.186 -6.289 100 H TYR 24 HN TYR 24 -4.182 -3.654 -5.136 101 HA TYR 24 HA TYR 24 -3.720 -4.862 -2.622 102 HB2 TYR 24 HB2 TYR 24 -5.949 -4.540 -3.630 103 HB3 TYR 24 HB1 TYR 24 -5.557 -5.726 -4.868 104 HD1 TYR 24 HD2 TYR 24 -5.237 -8.117 -4.232 105 HD2 TYR 24 HD1 TYR 24 -6.797 -5.257 -1.451 106 HE1 TYR 24 HE2 TYR 24 -6.142 -9.942 -2.865 107 HE2 TYR 24 HE1 TYR 24 -7.708 -7.097 -0.102 108 HH TYR 24 HH TYR 24 -8.431 -9.488 -0.476 109 H ASP 25 HN ASP 25 -3.760 -6.399 -5.825 110 HA ASP 25 HA ASP 25 -2.406 -8.742 -5.191 111 HB2 ASP 25 HB2 ASP 25 -3.434 -8.238 -7.412 112 HB3 ASP 25 HB1 ASP 25 -2.057 -7.205 -7.772 113 H GLU 26 HN GLU 26 -1.085 -5.600 -6.038 114 HA GLU 26 HA GLU 26 1.637 -6.352 -6.014 115 HB2 GLU 26 HB2 GLU 26 0.308 -3.683 -5.603 116 HB3 GLU 26 HB1 GLU 26 2.040 -3.899 -5.793 117 HG2 GLU 26 HG2 GLU 26 -0.040 -4.678 -7.822 118 HG3 GLU 26 HG1 GLU 26 0.922 -3.203 -7.865 119 H TRP 27 HN TRP 27 -0.585 -5.602 -3.449 120 HA TRP 27 HA TRP 27 1.267 -5.116 -1.381 121 HB2 TRP 27 HB2 TRP 27 -0.824 -4.644 -0.608 122 HB3 TRP 27 HB1 TRP 27 -1.578 -5.907 -1.569 123 HD1 TRP 27 HD1 TRP 27 0.412 -5.550 1.771 124 HE1 TRP 27 HE1 TRP 27 -0.399 -7.414 3.346 125 HE3 TRP 27 HE3 TRP 27 -2.677 -8.074 -1.443 126 HZ2 TRP 27 HZ2 TRP 27 -2.124 -9.617 3.247 127 HZ3 TRP 27 HZ3 TRP 27 -3.862 -10.062 -0.616 128 HH2 TRP 27 HH2 TRP 27 -3.581 -10.826 1.685 129 H ARG 28 HN ARG 28 -0.002 -8.039 -2.823 130 HA ARG 28 HA ARG 28 1.105 -9.878 -1.015 131 HB2 ARG 28 HB2 ARG 28 0.756 -10.288 -3.991 132 HB3 ARG 28 HB1 ARG 28 0.811 -11.534 -2.749 133 HG2 ARG 28 HG2 ARG 28 -1.275 -10.416 -1.785 134 HG3 ARG 28 HG1 ARG 28 -1.362 -9.547 -3.317 135 HD2 ARG 28 HD2 ARG 28 -1.469 -12.525 -2.894 136 HD3 ARG 28 HD1 ARG 28 -2.760 -11.477 -3.477 137 HE ARG 28 HE ARG 28 -0.823 -11.104 -5.319 138 HH11 ARG 28 HH11 ARG 28 -2.282 -13.977 -3.960 139 HH12 ARG 28 HH12 ARG 28 -2.047 -14.928 -5.390 140 HH21 ARG 28 HH21 ARG 28 -0.506 -12.347 -7.202 141 HH22 ARG 28 HH22 ARG 28 -1.041 -13.997 -7.239 142 H GLU 29 HN GLU 29 2.449 -8.230 -3.854 143 HA GLU 29 HA GLU 29 5.034 -9.426 -3.635 144 HB2 GLU 29 HB2 GLU 29 4.393 -8.349 -5.720 145 HB3 GLU 29 HB1 GLU 29 4.220 -6.801 -4.899 146 HG2 GLU 29 HG2 GLU 29 6.575 -6.703 -4.458 147 HG3 GLU 29 HG1 GLU 29 6.804 -8.330 -5.088 148 H HIS 30 HN HIS 30 3.654 -6.389 -2.429 149 HA HIS 30 HA HIS 30 5.791 -5.295 -1.097 150 HB2 HIS 30 HB2 HIS 30 3.612 -4.197 -1.136 151 HB3 HIS 30 HB1 HIS 30 2.927 -5.461 -0.124 152 HD1 HIS 30 HD1 HIS 30 2.256 -3.885 1.777 153 HD2 HIS 30 HD2 HIS 30 6.302 -3.721 0.865 154 HE1 HIS 30 HE1 HIS 30 3.307 -2.528 3.625 155 HE2 HIS 30 HE2 HIS 30 5.745 -2.378 3.003 156 H ASN 31 HN ASN 31 3.688 -7.895 0.068 157 HA ASN 31 HA ASN 31 4.797 -8.306 2.577 158 HB2 ASN 31 HB2 ASN 31 2.753 -9.418 1.733 159 HB3 ASN 31 HB1 ASN 31 3.746 -10.411 0.676 160 HD21 ASN 31 HD21 ASN 31 4.888 -12.121 1.524 161 HD22 ASN 31 HD22 ASN 31 4.686 -12.672 3.150 162 H ALA 32 HN ALA 32 5.700 -9.705 -0.513 163 HA ALA 32 HA ALA 32 7.885 -11.231 0.411 164 HB1 ALA 32 HB1 ALA 32 6.749 -11.604 -1.727 165 HB2 ALA 32 HB2 ALA 32 8.493 -11.442 -1.909 166 HB3 ALA 32 HB3 ALA 32 7.433 -10.096 -2.335 167 H SER 33 HN SER 33 7.886 -8.161 -1.402 168 HA SER 33 HA SER 33 10.649 -7.902 -1.482 169 HB2 SER 33 HB2 SER 33 9.145 -6.740 -3.019 170 HB3 SER 33 HB1 SER 33 8.560 -5.724 -1.709 171 HG SER 33 HG SER 33 11.307 -5.765 -2.042 172 H ARG 34 HN ARG 34 8.435 -6.754 1.036 173 HA ARG 34 HA ARG 34 10.647 -5.226 2.173 174 HB2 ARG 34 HB2 ARG 34 7.714 -5.160 2.728 175 HB3 ARG 34 HB1 ARG 34 8.884 -4.380 3.785 176 HG2 ARG 34 HG2 ARG 34 8.435 -3.786 0.864 177 HG3 ARG 34 HG1 ARG 34 7.968 -2.775 2.232 178 HD2 ARG 34 HD2 ARG 34 10.777 -3.495 1.404 179 HD3 ARG 34 HD1 ARG 34 9.982 -1.945 1.168 180 HE ARG 34 HE ARG 34 9.926 -2.484 3.897 181 HH11 ARG 34 HH11 ARG 34 12.315 -1.977 1.397 182 HH12 ARG 34 HH12 ARG 34 13.451 -1.198 2.450 183 HH21 ARG 34 HH21 ARG 34 11.426 -1.472 5.306 184 HH22 ARG 34 HH22 ARG 34 12.944 -0.912 4.681 185 H LYS 35 HN LYS 35 9.723 -8.279 2.361 186 HA LYS 35 HA LYS 35 10.105 -9.977 3.798 187 HB2 LYS 35 HB2 LYS 35 12.133 -7.978 4.730 188 HB3 LYS 35 HB1 LYS 35 11.973 -9.533 5.525 189 HG2 LYS 35 HG2 LYS 35 13.713 -9.787 3.979 190 HG3 LYS 35 HG1 LYS 35 12.321 -10.577 3.244 191 HD2 LYS 35 HD2 LYS 35 11.913 -8.526 1.917 192 HD3 LYS 35 HD1 LYS 35 13.385 -7.830 2.599 193 HE2 LYS 35 HE2 LYS 35 13.215 -10.348 0.946 194 HE3 LYS 35 HE1 LYS 35 13.786 -8.780 0.382 195 HZ1 LYS 35 HZ1 LYS 35 15.607 -8.908 1.953 196 HZ2 LYS 35 HZ2 LYS 35 15.613 -10.261 0.942 197 HZ3 LYS 35 HZ3 LYS 35 15.049 -10.397 2.530 198 H LEU 36 HN LEU 36 7.811 -9.096 4.448 199 HA LEU 36 HA LEU 36 7.771 -8.932 7.341 200 HB2 LEU 36 HB2 LEU 36 5.773 -7.202 6.914 201 HB3 LEU 36 HB1 LEU 36 7.436 -6.675 7.155 202 HG LEU 36 HG LEU 36 7.708 -6.453 4.723 203 HD11 LEU 36 HD11 LEU 36 5.603 -6.549 3.354 204 HD12 LEU 36 HD12 LEU 36 4.867 -7.408 4.715 205 HD13 LEU 36 HD13 LEU 36 6.257 -8.100 3.879 206 HD21 LEU 36 HD21 LEU 36 6.892 -4.570 6.098 207 HD22 LEU 36 HD22 LEU 36 5.233 -5.045 5.712 208 HD23 LEU 36 HD23 LEU 36 6.336 -4.513 4.427 209 H ASP 37 HN ASP 37 5.214 -8.860 7.849 210 HA ASP 37 HA ASP 37 3.823 -10.732 6.092 211 HB2 ASP 37 HB2 ASP 37 4.977 -12.007 7.955 212 HB3 ASP 37 HB1 ASP 37 3.990 -11.101 9.096 213 H LEU 38 HN LEU 38 2.944 -8.609 5.652 214 HA LEU 38 HA LEU 38 1.300 -7.486 7.790 215 HB2 LEU 38 HB2 LEU 38 1.663 -5.435 6.851 216 HB3 LEU 38 HB1 LEU 38 3.096 -6.240 6.283 217 HG LEU 38 HG LEU 38 0.630 -6.206 4.634 218 HD11 LEU 38 HD11 LEU 38 0.949 -3.920 5.261 219 HD12 LEU 38 HD12 LEU 38 1.499 -4.135 3.597 220 HD13 LEU 38 HD13 LEU 38 2.675 -4.028 4.910 221 HD21 LEU 38 HD21 LEU 38 2.159 -6.514 2.833 222 HD22 LEU 38 HD22 LEU 38 2.651 -7.629 4.117 223 HD23 LEU 38 HD23 LEU 38 3.536 -6.125 3.865 224 H SER 39 HN SER 39 -0.889 -7.147 7.486 225 HA SER 39 HA SER 39 -2.092 -8.820 5.447 226 HB2 SER 39 HB2 SER 39 -3.501 -7.128 7.508 227 HB3 SER 39 HB1 SER 39 -4.162 -8.495 6.618 228 HG SER 39 HG SER 39 -1.936 -9.253 7.905 229 H VAL 40 HN VAL 40 -4.113 -7.782 4.311 230 HA VAL 40 HA VAL 40 -2.998 -5.851 2.609 231 HB VAL 40 HB VAL 40 -5.095 -7.550 2.378 232 HG11 VAL 40 HG11 VAL 40 -6.660 -6.207 3.669 233 HG12 VAL 40 HG12 VAL 40 -7.143 -6.262 1.975 234 HG13 VAL 40 HG13 VAL 40 -6.359 -4.821 2.622 235 HG21 VAL 40 HG21 VAL 40 -3.725 -6.581 0.641 236 HG22 VAL 40 HG22 VAL 40 -4.651 -5.074 0.751 237 HG23 VAL 40 HG23 VAL 40 -5.438 -6.560 0.217 238 H GLU 41 HN GLU 41 -5.355 -5.593 5.179 239 HA GLU 41 HA GLU 41 -6.138 -3.001 5.088 240 HB2 GLU 41 HB2 GLU 41 -5.201 -4.483 7.555 241 HB3 GLU 41 HB1 GLU 41 -6.147 -3.002 7.581 242 HG2 GLU 41 HG2 GLU 41 -7.963 -4.170 6.415 243 HG3 GLU 41 HG1 GLU 41 -7.006 -5.650 6.463 244 H ASP 42 HN ASP 42 -3.200 -4.046 6.816 245 HA ASP 42 HA ASP 42 -2.239 -1.506 7.387 246 HB2 ASP 42 HB2 ASP 42 -0.872 -4.169 7.108 247 HB3 ASP 42 HB1 ASP 42 0.018 -2.714 7.532 248 H PHE 43 HN PHE 43 -1.721 -3.499 4.494 249 HA PHE 43 HA PHE 43 0.128 -1.797 3.228 250 HB2 PHE 43 HB2 PHE 43 -0.309 -3.935 2.217 251 HB3 PHE 43 HB1 PHE 43 -2.018 -3.555 2.032 252 HD1 PHE 43 HD2 PHE 43 -2.703 -1.745 0.378 253 HD2 PHE 43 HD1 PHE 43 1.260 -3.299 0.557 254 HE1 PHE 43 HE2 PHE 43 -2.264 -0.844 -1.848 255 HE2 PHE 43 HE1 PHE 43 1.703 -2.388 -1.681 256 HZ PHE 43 HZ PHE 43 -0.065 -1.149 -2.880 257 H LEU 44 HN LEU 44 -3.356 -2.029 2.946 258 HA LEU 44 HA LEU 44 -3.837 0.107 1.270 259 HB2 LEU 44 HB2 LEU 44 -5.703 -0.621 3.542 260 HB3 LEU 44 HB1 LEU 44 -6.136 -0.027 1.952 261 HG LEU 44 HG LEU 44 -5.465 -2.782 2.827 262 HD11 LEU 44 HD11 LEU 44 -7.453 -1.557 0.953 263 HD12 LEU 44 HD12 LEU 44 -7.748 -2.303 2.524 264 HD13 LEU 44 HD13 LEU 44 -7.231 -3.301 1.153 265 HD21 LEU 44 HD21 LEU 44 -3.876 -2.850 1.234 266 HD22 LEU 44 HD22 LEU 44 -4.642 -1.609 0.242 267 HD23 LEU 44 HD23 LEU 44 -5.293 -3.250 0.263 268 H MET 45 HN MET 45 -3.359 0.068 4.756 269 HA MET 45 HA MET 45 -3.894 2.791 5.273 270 HB2 MET 45 HB2 MET 45 -1.863 0.999 6.615 271 HB3 MET 45 HB1 MET 45 -2.475 2.515 7.256 272 HG2 MET 45 HG2 MET 45 -4.661 1.592 7.520 273 HG3 MET 45 HG1 MET 45 -4.180 0.111 6.695 274 HE1 MET 45 HE1 MET 45 -2.245 2.264 9.350 275 HE2 MET 45 HE2 MET 45 -2.620 1.400 10.840 276 HE3 MET 45 HE3 MET 45 -3.894 2.254 9.972 277 H LEU 46 HN LEU 46 -0.728 1.218 4.879 278 HA LEU 46 HA LEU 46 0.909 3.396 4.754 279 HB2 LEU 46 HB2 LEU 46 1.194 0.975 2.975 280 HB3 LEU 46 HB1 LEU 46 2.474 2.080 3.441 281 HG LEU 46 HG LEU 46 1.044 0.089 5.189 282 HD11 LEU 46 HD11 LEU 46 3.971 0.405 4.638 283 HD12 LEU 46 HD12 LEU 46 2.915 -0.656 3.715 284 HD13 LEU 46 HD13 LEU 46 3.154 -0.936 5.439 285 HD21 LEU 46 HD21 LEU 46 2.167 0.938 7.077 286 HD22 LEU 46 HD22 LEU 46 1.425 2.340 6.295 287 HD23 LEU 46 HD23 LEU 46 3.155 2.024 6.100 288 H ARG 47 HN ARG 47 -0.655 1.903 1.919 289 HA ARG 47 HA ARG 47 0.245 3.896 0.113 290 HB2 ARG 47 HB2 ARG 47 -1.534 3.006 -1.415 291 HB3 ARG 47 HB1 ARG 47 -0.415 1.794 -0.807 292 HG2 ARG 47 HG2 ARG 47 -2.133 0.612 -0.113 293 HG3 ARG 47 HG1 ARG 47 -2.589 1.922 0.974 294 HD2 ARG 47 HD2 ARG 47 -3.418 1.613 -1.898 295 HD3 ARG 47 HD1 ARG 47 -4.427 1.343 -0.473 296 HE ARG 47 HE ARG 47 -3.702 3.878 -0.109 297 HH11 ARG 47 HH11 ARG 47 -4.707 2.330 -3.065 298 HH12 ARG 47 HH12 ARG 47 -5.658 3.688 -3.604 299 HH21 ARG 47 HH21 ARG 47 -4.915 5.696 -0.843 300 HH22 ARG 47 HH22 ARG 47 -5.773 5.592 -2.346 301 H HIS 48 HN HIS 48 -2.798 3.427 1.811 302 HA HIS 48 HA HIS 48 -4.285 5.564 1.056 303 HB2 HIS 48 HB2 HIS 48 -4.062 3.995 3.476 304 HB3 HIS 48 HB1 HIS 48 -4.581 5.647 3.821 305 HD1 HIS 48 HD1 HIS 48 -6.884 4.499 4.525 306 HD2 HIS 48 HD2 HIS 48 -5.876 4.259 0.507 307 HE1 HIS 48 HE1 HIS 48 -8.979 3.760 3.351 308 HE2 HIS 48 HE2 HIS 48 -8.277 3.429 0.950 309 H ARG 49 HN ARG 49 -1.943 5.754 3.754 310 HA ARG 49 HA ARG 49 -2.314 8.499 4.171 311 HB2 ARG 49 HB2 ARG 49 0.220 6.967 4.669 312 HB3 ARG 49 HB1 ARG 49 -0.305 8.448 5.466 313 HG2 ARG 49 HG2 ARG 49 -2.319 7.106 6.262 314 HG3 ARG 49 HG1 ARG 49 -1.416 5.675 5.750 315 HD2 ARG 49 HD2 ARG 49 0.490 6.847 7.106 316 HD3 ARG 49 HD1 ARG 49 -0.865 7.593 7.938 317 HE ARG 49 HE ARG 49 -0.644 4.661 7.706 318 HH11 ARG 49 HH11 ARG 49 -1.037 7.559 9.656 319 HH12 ARG 49 HH12 ARG 49 -1.233 6.685 11.137 320 HH21 ARG 49 HH21 ARG 49 -0.918 3.522 9.675 321 HH22 ARG 49 HH22 ARG 49 -1.176 4.401 11.149 322 H ALA 50 HN ALA 50 0.079 6.785 2.286 323 HA ALA 50 HA ALA 50 1.567 8.940 1.319 324 HB1 ALA 50 HB1 ALA 50 1.018 6.356 -0.138 325 HB2 ALA 50 HB2 ALA 50 2.257 6.587 1.096 326 HB3 ALA 50 HB3 ALA 50 2.359 7.464 -0.432 327 H ALA 51 HN ALA 51 -1.015 7.200 -0.407 328 HA ALA 51 HA ALA 51 -1.300 8.908 -2.561 329 HB1 ALA 51 HB1 ALA 51 -2.262 6.667 -2.441 330 HB2 ALA 51 HB2 ALA 51 -3.480 7.868 -2.872 331 HB3 ALA 51 HB3 ALA 51 -3.416 7.227 -1.230 332 H LEU 52 HN LEU 52 -2.996 8.980 0.569 333 HA LEU 52 HA LEU 52 -4.824 10.987 -0.400 334 HB2 LEU 52 HB2 LEU 52 -4.511 10.185 2.482 335 HB3 LEU 52 HB1 LEU 52 -5.935 10.802 1.664 336 HG LEU 52 HG LEU 52 -4.719 8.084 1.220 337 HD11 LEU 52 HD11 LEU 52 -5.772 8.265 3.395 338 HD12 LEU 52 HD12 LEU 52 -6.706 7.226 2.313 339 HD13 LEU 52 HD13 LEU 52 -7.248 8.873 2.640 340 HD21 LEU 52 HD21 LEU 52 -6.745 7.637 -0.077 341 HD22 LEU 52 HD22 LEU 52 -5.747 8.910 -0.790 342 HD23 LEU 52 HD23 LEU 52 -7.208 9.335 0.103 343 H GLY 53 HN GLY 53 -2.794 11.104 2.561 344 HA2 GLY 53 HA2 GLY 53 -1.034 13.056 1.754 345 HA3 GLY 53 HA1 GLY 53 -2.455 13.930 2.297 346 H ALA 54 HN ALA 54 -1.251 10.917 3.712 347 HA ALA 54 HA ALA 54 -0.652 12.420 6.159 348 HB1 ALA 54 HB1 ALA 54 -1.751 9.642 5.820 349 HB2 ALA 54 HB2 ALA 54 -2.553 11.033 6.546 350 HB3 ALA 54 HB3 ALA 54 -1.170 10.290 7.351 351 H ASP 55 HN ASP 55 1.231 11.977 7.227 352 HA ASP 55 HA ASP 55 3.174 10.433 5.655 353 HB2 ASP 55 HB2 ASP 55 3.619 13.022 7.151 354 HB3 ASP 55 HB1 ASP 55 4.877 12.095 6.339 355 H ASP 56 HN ASP 56 1.884 9.122 7.659 356 HA ASP 56 HA ASP 56 3.616 8.916 9.936 357 HB2 ASP 56 HB2 ASP 56 1.384 8.001 10.125 358 HB3 ASP 56 HB1 ASP 56 1.662 6.940 8.749 359 H ASN 57 HN ASN 57 5.517 7.909 10.093 360 HA ASN 57 HA ASN 57 7.065 7.538 7.933 361 HB2 ASN 57 HB2 ASN 57 8.688 6.451 9.333 362 HB3 ASN 57 HB1 ASN 57 7.981 7.839 10.137 363 HD21 ASN 57 HD21 ASN 57 8.230 4.372 10.068 364 HD22 ASN 57 HD22 ASN 57 7.564 4.096 11.636 365 H ASP 58 HN ASP 58 5.086 4.938 9.317 366 HA ASP 58 HA ASP 58 6.414 2.842 7.923 367 HB2 ASP 58 HB2 ASP 58 3.566 3.083 8.910 368 HB3 ASP 58 HB1 ASP 58 4.203 1.627 8.156 369 H ALA 59 HN ALA 59 3.692 4.850 7.232 370 HA ALA 59 HA ALA 59 3.184 3.972 4.607 371 HB1 ALA 59 HB1 ALA 59 1.931 6.027 4.319 372 HB2 ALA 59 HB2 ALA 59 2.651 6.684 5.790 373 HB3 ALA 59 HB3 ALA 59 1.581 5.275 5.879 374 H VAL 60 HN VAL 60 5.454 6.384 5.872 375 HA VAL 60 HA VAL 60 5.931 7.482 3.275 376 HB VAL 60 HB VAL 60 7.497 8.923 4.187 377 HG11 VAL 60 HG11 VAL 60 6.534 9.766 6.294 378 HG12 VAL 60 HG12 VAL 60 5.549 8.304 6.384 379 HG13 VAL 60 HG13 VAL 60 5.330 9.436 5.049 380 HG21 VAL 60 HG21 VAL 60 8.565 8.580 6.422 381 HG22 VAL 60 HG22 VAL 60 9.072 7.485 5.134 382 HG23 VAL 60 HG23 VAL 60 7.941 6.929 6.368 383 H LYS 61 HN LYS 61 7.589 5.115 5.339 384 HA LYS 61 HA LYS 61 9.720 4.715 3.494 385 HB2 LYS 61 HB2 LYS 61 8.666 2.976 5.714 386 HB3 LYS 61 HB1 LYS 61 10.164 2.676 4.832 387 HG2 LYS 61 HG2 LYS 61 11.136 4.659 5.646 388 HG3 LYS 61 HG1 LYS 61 9.586 5.239 6.279 389 HD2 LYS 61 HD2 LYS 61 9.621 3.147 7.747 390 HD3 LYS 61 HD1 LYS 61 11.318 2.984 7.281 391 HE2 LYS 61 HE2 LYS 61 11.690 5.298 8.085 392 HE3 LYS 61 HE1 LYS 61 10.027 5.311 8.665 393 HZ1 LYS 61 HZ1 LYS 61 12.187 3.491 9.571 394 HZ2 LYS 61 HZ2 LYS 61 10.582 3.414 10.094 395 HZ3 LYS 61 HZ3 LYS 61 11.524 4.772 10.454 396 H PHE 62 HN PHE 62 6.529 3.314 3.900 397 HA PHE 62 HA PHE 62 6.654 1.328 1.937 398 HB2 PHE 62 HB2 PHE 62 4.666 1.619 3.323 399 HB3 PHE 62 HB1 PHE 62 4.391 3.219 2.642 400 HD1 PHE 62 HD2 PHE 62 4.244 -0.399 1.975 401 HD2 PHE 62 HD1 PHE 62 3.393 3.498 0.508 402 HE1 PHE 62 HE2 PHE 62 2.840 -1.379 0.216 403 HE2 PHE 62 HE1 PHE 62 1.979 2.526 -1.251 404 HZ PHE 62 HZ PHE 62 1.724 0.045 -1.393 405 H ARG 63 HN ARG 63 5.652 4.713 1.677 406 HA ARG 63 HA ARG 63 5.533 5.025 -1.034 407 HB2 ARG 63 HB2 ARG 63 4.830 6.729 0.487 408 HB3 ARG 63 HB1 ARG 63 6.441 6.892 1.150 409 HG2 ARG 63 HG2 ARG 63 6.146 7.424 -1.734 410 HG3 ARG 63 HG1 ARG 63 5.409 8.584 -0.625 411 HD2 ARG 63 HD2 ARG 63 8.059 7.803 0.245 412 HD3 ARG 63 HD1 ARG 63 8.068 8.469 -1.393 413 HE ARG 63 HE ARG 63 6.627 9.974 0.638 414 HH11 ARG 63 HH11 ARG 63 9.554 9.604 -1.247 415 HH12 ARG 63 HH12 ARG 63 10.132 11.202 -0.895 416 HH21 ARG 63 HH21 ARG 63 7.391 12.068 1.114 417 HH22 ARG 63 HH22 ARG 63 8.904 12.603 0.454 418 H SER 64 HN SER 64 8.394 5.860 0.902 419 HA SER 64 HA SER 64 10.253 6.322 -0.971 420 HB2 SER 64 HB2 SER 64 10.634 6.327 1.492 421 HB3 SER 64 HB1 SER 64 10.787 4.572 1.439 422 HG SER 64 HG SER 64 12.502 6.551 0.416 423 H TRP 65 HN TRP 65 9.574 3.010 0.181 424 HA TRP 65 HA TRP 65 11.334 1.785 -1.681 425 HB2 TRP 65 HB2 TRP 65 11.042 0.511 0.207 426 HB3 TRP 65 HB1 TRP 65 9.328 0.874 0.313 427 HD1 TRP 65 HD1 TRP 65 11.748 -1.520 -1.476 428 HE1 TRP 65 HE1 TRP 65 10.390 -3.571 -2.282 429 HE3 TRP 65 HE3 TRP 65 7.129 0.164 -0.354 430 HZ2 TRP 65 HZ2 TRP 65 7.673 -4.319 -2.432 431 HZ3 TRP 65 HZ3 TRP 65 5.177 -1.260 -0.850 432 HH2 TRP 65 HH2 TRP 65 5.451 -3.465 -1.864 433 H TRP 66 HN TRP 66 7.816 2.101 -1.583 434 HA TRP 66 HA TRP 66 7.414 0.468 -3.897 435 HB2 TRP 66 HB2 TRP 66 5.843 0.793 -1.926 436 HB3 TRP 66 HB1 TRP 66 5.448 2.362 -2.605 437 HD1 TRP 66 HD1 TRP 66 3.187 2.231 -3.690 438 HE1 TRP 66 HE1 TRP 66 1.909 0.558 -5.144 439 HE3 TRP 66 HE3 TRP 66 6.627 -1.529 -3.826 440 HZ2 TRP 66 HZ2 TRP 66 2.288 -1.967 -6.210 441 HZ3 TRP 66 HZ3 TRP 66 6.088 -3.562 -5.101 442 HH2 TRP 66 HH2 TRP 66 3.954 -3.784 -6.268 443 H ASN 67 HN ASN 67 7.972 3.854 -3.407 444 HA ASN 67 HA ASN 67 6.829 4.532 -6.004 445 HB2 ASN 67 HB2 ASN 67 7.751 6.113 -3.666 446 HB3 ASN 67 HB1 ASN 67 7.693 6.883 -5.247 447 HD21 ASN 67 HD21 ASN 67 5.844 5.345 -2.747 448 HD22 ASN 67 HD22 ASN 67 4.307 5.939 -3.250 449 H SER 68 HN SER 68 9.657 3.318 -5.007 450 HA SER 68 HA SER 68 11.234 4.862 -6.922 451 HB2 SER 68 HB2 SER 68 12.081 2.617 -5.062 452 HB3 SER 68 HB1 SER 68 13.156 3.533 -6.119 453 HG SER 68 HG SER 68 11.819 4.349 -3.775 454 H ARG 69 HN ARG 69 9.219 2.233 -6.705 455 HA ARG 69 HA ARG 69 10.528 0.805 -8.907 456 HB2 ARG 69 HB2 ARG 69 9.208 -1.209 -7.964 457 HB3 ARG 69 HB1 ARG 69 10.665 -0.702 -7.136 458 HG2 ARG 69 HG2 ARG 69 9.253 0.528 -5.516 459 HG3 ARG 69 HG1 ARG 69 7.830 -0.145 -6.319 460 HD2 ARG 69 HD2 ARG 69 8.461 -1.419 -4.324 461 HD3 ARG 69 HD1 ARG 69 8.572 -2.388 -5.793 462 HE ARG 69 HE ARG 69 10.998 -1.094 -4.800 463 HH11 ARG 69 HH11 ARG 69 9.162 -4.021 -5.329 464 HH12 ARG 69 HH12 ARG 69 10.491 -5.071 -4.953 465 HH21 ARG 69 HH21 ARG 69 12.747 -2.461 -4.325 466 HH22 ARG 69 HH22 ARG 69 12.534 -4.182 -4.366 467 H THR 70 HN THR 70 7.394 1.085 -7.343 468 HA THR 70 HA THR 70 5.999 0.659 -9.880 469 HB THR 70 HB THR 70 4.933 0.814 -7.076 470 HG1 THR 70 HG1 THR 70 5.019 -1.694 -8.130 471 HG21 THR 70 HG21 THR 70 3.750 -0.288 -9.615 472 HG22 THR 70 HG22 THR 70 3.218 1.136 -8.717 473 HG23 THR 70 HG23 THR 70 3.042 -0.470 -8.010 474 H LYS 71 HN LYS 71 5.767 2.661 -7.009 475 HA LYS 71 HA LYS 71 5.012 4.748 -6.598 476 HB2 LYS 71 HB2 LYS 71 4.822 5.140 -9.555 477 HB3 LYS 71 HB1 LYS 71 4.793 6.367 -8.311 478 HG2 LYS 71 HG2 LYS 71 7.118 5.468 -7.668 479 HG3 LYS 71 HG1 LYS 71 7.098 4.737 -9.269 480 HD2 LYS 71 HD2 LYS 71 8.254 6.889 -9.262 481 HD3 LYS 71 HD1 LYS 71 6.806 6.937 -10.279 482 HE2 LYS 71 HE2 LYS 71 5.580 8.101 -8.563 483 HE3 LYS 71 HE1 LYS 71 6.909 7.906 -7.422 484 HZ1 LYS 71 HZ1 LYS 71 7.010 9.491 -9.928 485 HZ2 LYS 71 HZ2 LYS 71 8.269 9.324 -8.814 486 HZ3 LYS 71 HZ3 LYS 71 6.847 10.126 -8.370 487 H MET 72 HN MET 72 3.457 2.308 -7.332 488 HA MET 72 HA MET 72 1.335 1.569 -7.295 489 HB2 MET 72 HB2 MET 72 -0.072 2.925 -5.589 490 HB3 MET 72 HB1 MET 72 1.367 2.080 -5.070 491 HG2 MET 72 HG2 MET 72 1.643 4.056 -4.044 492 HG3 MET 72 HG1 MET 72 2.510 4.357 -5.542 493 HE1 MET 72 HE1 MET 72 1.566 6.669 -3.587 494 HE2 MET 72 HE2 MET 72 0.931 7.843 -4.739 495 HE3 MET 72 HE3 MET 72 2.420 6.970 -5.101 496 H ALA 73 HN ALA 73 -1.073 2.850 -6.796 497 HA ALA 73 HA ALA 73 -1.753 4.558 -8.940 498 HB1 ALA 73 HB1 ALA 73 -3.241 2.781 -10.021 499 HB2 ALA 73 HB2 ALA 73 -2.234 1.603 -9.186 500 HB3 ALA 73 HB3 ALA 73 -1.517 2.699 -10.366 501 H ASN 74 HN ASN 74 -2.576 5.595 -7.105 502 HA ASN 74 HA ASN 74 -3.840 4.838 -4.908 503 HB2 ASN 74 HB2 ASN 74 -4.906 7.072 -6.650 504 HB3 ASN 74 HB1 ASN 74 -5.096 6.924 -4.908 505 HD21 ASN 74 HD21 ASN 74 -2.330 5.934 -4.635 506 HD22 ASN 74 HD22 ASN 74 -1.332 7.335 -4.790 507 H ASP 75 HN ASP 75 -5.751 5.513 -7.853 508 HA ASP 75 HA ASP 75 -7.375 3.173 -7.296 509 HB2 ASP 75 HB2 ASP 75 -8.465 5.149 -6.121 510 HB3 ASP 75 HB1 ASP 75 -8.704 5.871 -7.706 511 H TYR 76 HN TYR 76 -5.417 3.859 -9.225 512 HA TYR 76 HA TYR 76 -6.874 4.456 -11.683 513 HB2 TYR 76 HB2 TYR 76 -3.924 4.128 -11.169 514 HB3 TYR 76 HB1 TYR 76 -4.647 4.596 -12.700 515 HD1 TYR 76 HD1 TYR 76 -5.943 6.785 -12.791 516 HD2 TYR 76 HD2 TYR 76 -3.421 5.721 -9.544 517 HE1 TYR 76 HE1 TYR 76 -5.848 9.132 -12.109 518 HE2 TYR 76 HE2 TYR 76 -3.323 8.066 -8.844 519 HH TYR 76 HH TYR 76 -3.631 10.268 -9.733 Start of MODEL 11 1 H1 GLY 10 HT1 GLY 10 -10.898 7.185 -3.795 2 H2 GLY 10 HT2 GLY 10 -9.272 6.729 -3.899 3 H3 GLY 10 HT3 GLY 10 -9.685 8.287 -3.376 4 HA2 GLY 10 HA1 GLY 10 -9.040 6.934 -1.504 5 HA3 GLY 10 HA2 GLY 10 -10.735 7.389 -1.405 6 H THR 11 HN THR 11 -10.011 5.308 0.095 7 HA THR 11 HA THR 11 -11.588 3.180 -1.022 8 HB THR 11 HB THR 11 -9.124 2.082 0.123 9 HG1 THR 11 HG1 THR 11 -9.066 3.459 -2.380 10 HG21 THR 11 HG21 THR 11 -9.329 0.545 -1.783 11 HG22 THR 11 HG22 THR 11 -10.618 1.544 -2.450 12 HG23 THR 11 HG23 THR 11 -10.865 0.698 -0.916 13 H TYR 12 HN TYR 12 -10.320 1.440 1.110 14 HA TYR 12 HA TYR 12 -11.447 2.698 3.499 15 HB2 TYR 12 HB2 TYR 12 -12.260 -0.077 2.795 16 HB3 TYR 12 HB1 TYR 12 -13.042 1.072 3.872 17 HD1 TYR 12 HD2 TYR 12 -14.493 2.794 2.993 18 HD2 TYR 12 HD1 TYR 12 -12.638 -0.029 0.436 19 HE1 TYR 12 HE2 TYR 12 -16.031 3.433 1.182 20 HE2 TYR 12 HE1 TYR 12 -14.140 0.587 -1.379 21 HH TYR 12 HH TYR 12 -16.127 3.363 -1.266 22 H ARG 13 HN ARG 13 -11.385 0.672 5.238 23 HA ARG 13 HA ARG 13 -9.272 -1.217 4.717 24 HB2 ARG 13 HB2 ARG 13 -8.015 0.710 5.610 25 HB3 ARG 13 HB1 ARG 13 -9.025 0.683 7.052 26 HG2 ARG 13 HG2 ARG 13 -8.223 -1.599 7.531 27 HG3 ARG 13 HG1 ARG 13 -7.133 -1.487 6.149 28 HD2 ARG 13 HD2 ARG 13 -5.754 -0.893 7.898 29 HD3 ARG 13 HD1 ARG 13 -6.313 0.672 7.304 30 HE ARG 13 HE ARG 13 -7.385 -0.679 9.697 31 HH11 ARG 13 HH11 ARG 13 -6.713 2.257 7.895 32 HH12 ARG 13 HH12 ARG 13 -7.228 3.303 9.176 33 HH21 ARG 13 HH21 ARG 13 -8.040 0.701 11.376 34 HH22 ARG 13 HH22 ARG 13 -7.967 2.419 11.157 35 H GLY 14 HN GLY 14 -9.565 -3.097 5.863 36 HA2 GLY 14 HA2 GLY 14 -10.327 -4.494 7.547 37 HA3 GLY 14 HA1 GLY 14 -11.065 -3.108 8.327 38 H ARG 15 HN ARG 15 -12.575 -2.373 5.919 39 HA ARG 15 HA ARG 15 -14.860 -3.982 6.548 40 HB2 ARG 15 HB2 ARG 15 -16.047 -2.376 4.996 41 HB3 ARG 15 HB1 ARG 15 -15.266 -1.652 6.390 42 HG2 ARG 15 HG2 ARG 15 -14.515 -0.199 4.867 43 HG3 ARG 15 HG1 ARG 15 -13.278 -1.430 4.618 44 HD2 ARG 15 HD2 ARG 15 -14.095 -0.719 2.481 45 HD3 ARG 15 HD1 ARG 15 -14.667 -2.375 2.785 46 HE ARG 15 HE ARG 15 -16.543 -0.345 3.600 47 HH11 ARG 15 HH11 ARG 15 -15.444 -2.285 0.899 48 HH12 ARG 15 HH12 ARG 15 -16.929 -2.127 0.021 49 HH21 ARG 15 HH21 ARG 15 -18.500 -0.142 2.440 50 HH22 ARG 15 HH22 ARG 15 -18.658 -0.898 0.885 51 H GLY 16 HN GLY 16 -13.175 -5.704 5.396 52 HA2 GLY 16 HA2 GLY 16 -13.135 -7.319 3.749 53 HA3 GLY 16 HA1 GLY 16 -14.658 -6.650 3.171 54 H VAL 17 HN VAL 17 -11.834 -4.696 3.527 55 HA VAL 17 HA VAL 17 -12.026 -3.552 1.024 56 HB VAL 17 HB VAL 17 -9.455 -3.054 1.342 57 HG11 VAL 17 HG11 VAL 17 -11.631 -1.980 3.123 58 HG12 VAL 17 HG12 VAL 17 -11.312 -1.495 1.451 59 HG13 VAL 17 HG13 VAL 17 -10.115 -1.171 2.715 60 HG21 VAL 17 HG21 VAL 17 -8.978 -4.640 3.065 61 HG22 VAL 17 HG22 VAL 17 -10.335 -4.079 4.047 62 HG23 VAL 17 HG23 VAL 17 -8.938 -3.033 3.800 63 H ALA 18 HN ALA 18 -11.481 -3.950 -0.880 64 HA ALA 18 HA ALA 18 -9.762 -6.266 -1.457 65 HB1 ALA 18 HB1 ALA 18 -11.929 -5.063 -3.179 66 HB2 ALA 18 HB2 ALA 18 -12.057 -6.559 -2.257 67 HB3 ALA 18 HB3 ALA 18 -10.922 -6.447 -3.601 68 H LEU 19 HN LEU 19 -10.007 -2.946 -1.461 69 HA LEU 19 HA LEU 19 -8.805 -1.235 -2.328 70 HB2 LEU 19 HB2 LEU 19 -7.048 -2.342 -1.161 71 HB3 LEU 19 HB1 LEU 19 -6.842 -3.511 -2.423 72 HG LEU 19 HG LEU 19 -5.924 -1.684 -3.856 73 HD11 LEU 19 HD11 LEU 19 -6.161 -0.127 -1.310 74 HD12 LEU 19 HD12 LEU 19 -6.975 0.208 -2.844 75 HD13 LEU 19 HD13 LEU 19 -5.219 0.369 -2.714 76 HD21 LEU 19 HD21 LEU 19 -3.832 -1.395 -2.425 77 HD22 LEU 19 HD22 LEU 19 -4.309 -3.019 -2.907 78 HD23 LEU 19 HD23 LEU 19 -4.653 -2.450 -1.280 79 H THR 20 HN THR 20 -7.135 -0.899 -4.540 80 HA THR 20 HA THR 20 -8.906 -1.598 -6.667 81 HB THR 20 HB THR 20 -7.693 0.504 -6.827 82 HG1 THR 20 HG1 THR 20 -7.668 0.322 -8.934 83 HG21 THR 20 HG21 THR 20 -5.595 -0.119 -5.775 84 HG22 THR 20 HG22 THR 20 -5.297 0.537 -7.384 85 HG23 THR 20 HG23 THR 20 -5.230 -1.204 -7.116 86 H ASP 21 HN ASP 21 -7.855 -2.590 -8.732 87 HA ASP 21 HA ASP 21 -7.464 -5.296 -8.101 88 HB2 ASP 21 HB2 ASP 21 -6.966 -3.793 -10.672 89 HB3 ASP 21 HB1 ASP 21 -6.840 -5.543 -10.532 90 H ASP 22 HN ASP 22 -5.156 -2.913 -9.364 91 HA ASP 22 HA ASP 22 -2.999 -4.748 -9.419 92 HB2 ASP 22 HB2 ASP 22 -3.197 -2.668 -10.813 93 HB3 ASP 22 HB1 ASP 22 -2.821 -1.734 -9.370 94 H GLU 23 HN GLU 23 -3.436 -1.886 -7.341 95 HA GLU 23 HA GLU 23 -1.261 -2.210 -5.728 96 HB2 GLU 23 HB2 GLU 23 -3.940 -1.117 -4.848 97 HB3 GLU 23 HB1 GLU 23 -2.408 -0.877 -4.013 98 HG2 GLU 23 HG2 GLU 23 -1.506 0.241 -6.012 99 HG3 GLU 23 HG1 GLU 23 -3.083 0.087 -6.784 100 H TYR 24 HN TYR 24 -4.400 -3.812 -5.211 101 HA TYR 24 HA TYR 24 -3.774 -4.876 -2.665 102 HB2 TYR 24 HB2 TYR 24 -6.053 -4.697 -3.639 103 HB3 TYR 24 HB1 TYR 24 -5.648 -5.970 -4.777 104 HD1 TYR 24 HD2 TYR 24 -5.216 -8.289 -3.918 105 HD2 TYR 24 HD1 TYR 24 -6.850 -5.225 -1.399 106 HE1 TYR 24 HE2 TYR 24 -6.072 -10.003 -2.382 107 HE2 TYR 24 HE1 TYR 24 -7.709 -6.957 0.110 108 HH TYR 24 HH TYR 24 -6.763 -10.221 -0.053 109 H ASP 25 HN ASP 25 -3.825 -6.509 -5.802 110 HA ASP 25 HA ASP 25 -2.343 -8.758 -5.208 111 HB2 ASP 25 HB2 ASP 25 -2.900 -7.257 -7.646 112 HB3 ASP 25 HB1 ASP 25 -1.341 -8.075 -7.698 113 H GLU 26 HN GLU 26 -1.110 -5.534 -5.932 114 HA GLU 26 HA GLU 26 1.632 -6.221 -5.896 115 HB2 GLU 26 HB2 GLU 26 0.281 -3.574 -5.387 116 HB3 GLU 26 HB1 GLU 26 2.003 -3.789 -5.650 117 HG2 GLU 26 HG2 GLU 26 -0.215 -4.313 -7.607 118 HG3 GLU 26 HG1 GLU 26 0.992 -3.030 -7.677 119 H TRP 27 HN TRP 27 -0.655 -5.512 -3.379 120 HA TRP 27 HA TRP 27 1.121 -5.013 -1.262 121 HB2 TRP 27 HB2 TRP 27 -1.003 -4.610 -0.550 122 HB3 TRP 27 HB1 TRP 27 -1.690 -5.883 -1.548 123 HD1 TRP 27 HD1 TRP 27 0.279 -5.582 1.817 124 HE1 TRP 27 HE1 TRP 27 -0.587 -7.452 3.363 125 HE3 TRP 27 HE3 TRP 27 -2.856 -7.964 -1.443 126 HZ2 TRP 27 HZ2 TRP 27 -2.366 -9.619 3.217 127 HZ3 TRP 27 HZ3 TRP 27 -4.094 -9.941 -0.663 128 HH2 TRP 27 HH2 TRP 27 -3.843 -10.760 1.618 129 H ARG 28 HN ARG 28 -0.074 -7.979 -2.706 130 HA ARG 28 HA ARG 28 1.063 -9.765 -0.856 131 HB2 ARG 28 HB2 ARG 28 0.599 -10.230 -3.812 132 HB3 ARG 28 HB1 ARG 28 0.783 -11.462 -2.575 133 HG2 ARG 28 HG2 ARG 28 -1.282 -10.431 -1.481 134 HG3 ARG 28 HG1 ARG 28 -1.515 -9.592 -3.008 135 HD2 ARG 28 HD2 ARG 28 -1.268 -12.582 -2.727 136 HD3 ARG 28 HD1 ARG 28 -2.798 -11.715 -2.806 137 HE ARG 28 HE ARG 28 -1.685 -10.891 -5.059 138 HH11 ARG 28 HH11 ARG 28 -1.708 -14.107 -3.677 139 HH12 ARG 28 HH12 ARG 28 -1.758 -14.908 -5.214 140 HH21 ARG 28 HH21 ARG 28 -1.801 -11.939 -7.091 141 HH22 ARG 28 HH22 ARG 28 -1.789 -13.680 -7.155 142 H GLU 29 HN GLU 29 2.366 -8.103 -3.677 143 HA GLU 29 HA GLU 29 4.930 -9.382 -3.513 144 HB2 GLU 29 HB2 GLU 29 4.105 -8.345 -5.607 145 HB3 GLU 29 HB1 GLU 29 4.221 -6.764 -4.845 146 HG2 GLU 29 HG2 GLU 29 6.582 -6.910 -4.686 147 HG3 GLU 29 HG1 GLU 29 6.568 -8.614 -5.143 148 H HIS 30 HN HIS 30 3.625 -6.279 -2.385 149 HA HIS 30 HA HIS 30 5.810 -5.182 -1.142 150 HB2 HIS 30 HB2 HIS 30 3.682 -4.030 -1.103 151 HB3 HIS 30 HB1 HIS 30 2.959 -5.301 -0.127 152 HD1 HIS 30 HD1 HIS 30 2.319 -3.792 1.824 153 HD2 HIS 30 HD2 HIS 30 6.368 -3.626 0.911 154 HE1 HIS 30 HE1 HIS 30 3.381 -2.501 3.710 155 HE2 HIS 30 HE2 HIS 30 5.825 -2.367 3.108 156 H ASN 31 HN ASN 31 3.754 -7.776 0.092 157 HA ASN 31 HA ASN 31 4.954 -8.235 2.546 158 HB2 ASN 31 HB2 ASN 31 2.928 -9.403 1.785 159 HB3 ASN 31 HB1 ASN 31 3.873 -10.277 0.587 160 HD21 ASN 31 HD21 ASN 31 3.023 -10.012 3.921 161 HD22 ASN 31 HD22 ASN 31 3.775 -11.475 4.445 162 H ALA 32 HN ALA 32 5.748 -9.623 -0.601 163 HA ALA 32 HA ALA 32 7.971 -11.140 0.218 164 HB1 ALA 32 HB1 ALA 32 6.717 -11.482 -1.872 165 HB2 ALA 32 HB2 ALA 32 8.459 -11.384 -2.113 166 HB3 ALA 32 HB3 ALA 32 7.436 -10.002 -2.510 167 H SER 33 HN SER 33 7.937 -8.088 -1.638 168 HA SER 33 HA SER 33 10.686 -7.823 -1.828 169 HB2 SER 33 HB2 SER 33 9.110 -6.569 -3.222 170 HB3 SER 33 HB1 SER 33 8.619 -5.619 -1.829 171 HG SER 33 HG SER 33 11.288 -5.752 -2.785 172 H ARG 34 HN ARG 34 8.552 -6.391 0.651 173 HA ARG 34 HA ARG 34 10.844 -5.133 1.896 174 HB2 ARG 34 HB2 ARG 34 7.911 -5.086 2.476 175 HB3 ARG 34 HB1 ARG 34 9.076 -4.456 3.633 176 HG2 ARG 34 HG2 ARG 34 8.646 -3.503 0.806 177 HG3 ARG 34 HG1 ARG 34 8.225 -2.652 2.294 178 HD2 ARG 34 HD2 ARG 34 10.973 -3.290 1.241 179 HD3 ARG 34 HD1 ARG 34 10.243 -1.703 1.457 180 HE ARG 34 HE ARG 34 10.253 -2.340 3.937 181 HH11 ARG 34 HH11 ARG 34 12.686 -3.345 1.624 182 HH12 ARG 34 HH12 ARG 34 13.934 -3.504 2.818 183 HH21 ARG 34 HH21 ARG 34 11.920 -2.539 5.508 184 HH22 ARG 34 HH22 ARG 34 13.501 -3.056 5.013 185 H LYS 35 HN LYS 35 9.526 -8.152 1.953 186 HA LYS 35 HA LYS 35 10.020 -10.006 3.133 187 HB2 LYS 35 HB2 LYS 35 12.177 -8.273 4.297 188 HB3 LYS 35 HB1 LYS 35 12.082 -10.019 4.486 189 HG2 LYS 35 HG2 LYS 35 12.198 -8.655 1.820 190 HG3 LYS 35 HG1 LYS 35 13.636 -9.198 2.687 191 HD2 LYS 35 HD2 LYS 35 12.951 -11.470 2.550 192 HD3 LYS 35 HD1 LYS 35 11.337 -11.017 1.996 193 HE2 LYS 35 HE2 LYS 35 12.714 -11.851 0.155 194 HE3 LYS 35 HE1 LYS 35 12.269 -10.163 -0.082 195 HZ1 LYS 35 HZ1 LYS 35 14.459 -9.520 0.721 196 HZ2 LYS 35 HZ2 LYS 35 14.582 -10.536 -0.621 197 HZ3 LYS 35 HZ3 LYS 35 14.883 -11.145 0.924 198 H LEU 36 HN LEU 36 8.142 -8.015 4.171 199 HA LEU 36 HA LEU 36 8.306 -8.473 7.049 200 HB2 LEU 36 HB2 LEU 36 6.258 -6.774 6.852 201 HB3 LEU 36 HB1 LEU 36 7.928 -6.226 6.889 202 HG LEU 36 HG LEU 36 7.869 -6.151 4.380 203 HD11 LEU 36 HD11 LEU 36 4.922 -6.554 4.808 204 HD12 LEU 36 HD12 LEU 36 6.016 -7.716 4.063 205 HD13 LEU 36 HD13 LEU 36 5.708 -6.166 3.278 206 HD21 LEU 36 HD21 LEU 36 7.469 -4.196 5.905 207 HD22 LEU 36 HD22 LEU 36 5.739 -4.457 5.647 208 HD23 LEU 36 HD23 LEU 36 6.790 -4.056 4.283 209 H ASP 37 HN ASP 37 5.705 -8.241 7.726 210 HA ASP 37 HA ASP 37 4.192 -10.213 6.209 211 HB2 ASP 37 HB2 ASP 37 5.455 -11.464 7.963 212 HB3 ASP 37 HB1 ASP 37 4.675 -10.467 9.187 213 H LEU 38 HN LEU 38 2.461 -9.057 5.746 214 HA LEU 38 HA LEU 38 1.098 -7.629 7.894 215 HB2 LEU 38 HB2 LEU 38 0.946 -5.607 6.773 216 HB3 LEU 38 HB1 LEU 38 2.572 -6.101 6.467 217 HG LEU 38 HG LEU 38 0.333 -6.341 4.558 218 HD11 LEU 38 HD11 LEU 38 1.514 -4.577 3.349 219 HD12 LEU 38 HD12 LEU 38 2.685 -4.489 4.672 220 HD13 LEU 38 HD13 LEU 38 0.990 -4.057 4.954 221 HD21 LEU 38 HD21 LEU 38 3.244 -7.035 4.302 222 HD22 LEU 38 HD22 LEU 38 2.170 -6.836 2.921 223 HD23 LEU 38 HD23 LEU 38 1.866 -8.112 4.100 224 H SER 39 HN SER 39 -1.067 -7.145 7.440 225 HA SER 39 HA SER 39 -2.249 -8.885 5.422 226 HB2 SER 39 HB2 SER 39 -3.655 -7.249 7.534 227 HB3 SER 39 HB1 SER 39 -4.357 -8.527 6.550 228 HG SER 39 HG SER 39 -2.257 -9.576 7.730 229 H VAL 40 HN VAL 40 -4.380 -7.670 4.489 230 HA VAL 40 HA VAL 40 -3.121 -5.851 2.725 231 HB VAL 40 HB VAL 40 -5.216 -7.469 2.412 232 HG11 VAL 40 HG11 VAL 40 -6.790 -6.250 3.781 233 HG12 VAL 40 HG12 VAL 40 -7.270 -6.136 2.087 234 HG13 VAL 40 HG13 VAL 40 -6.480 -4.769 2.874 235 HG21 VAL 40 HG21 VAL 40 -3.874 -6.438 0.726 236 HG22 VAL 40 HG22 VAL 40 -4.728 -4.904 0.951 237 HG23 VAL 40 HG23 VAL 40 -5.586 -6.309 0.319 238 H GLU 41 HN GLU 41 -5.412 -5.455 5.361 239 HA GLU 41 HA GLU 41 -6.046 -2.806 5.147 240 HB2 GLU 41 HB2 GLU 41 -5.271 -4.177 7.732 241 HB3 GLU 41 HB1 GLU 41 -6.275 -2.743 7.563 242 HG2 GLU 41 HG2 GLU 41 -7.975 -4.053 6.423 243 HG3 GLU 41 HG1 GLU 41 -6.970 -5.496 6.577 244 H ASP 42 HN ASP 42 -3.157 -4.131 6.782 245 HA ASP 42 HA ASP 42 -1.878 -1.826 7.448 246 HB2 ASP 42 HB2 ASP 42 -0.650 -4.373 6.371 247 HB3 ASP 42 HB1 ASP 42 0.237 -3.114 7.209 248 H PHE 43 HN PHE 43 -1.723 -3.540 4.338 249 HA PHE 43 HA PHE 43 0.101 -1.839 3.073 250 HB2 PHE 43 HB2 PHE 43 -0.537 -3.973 2.064 251 HB3 PHE 43 HB1 PHE 43 -2.185 -3.391 1.840 252 HD1 PHE 43 HD2 PHE 43 -2.664 -1.562 0.116 253 HD2 PHE 43 HD1 PHE 43 1.180 -3.392 0.545 254 HE1 PHE 43 HE2 PHE 43 -1.986 -0.646 -2.054 255 HE2 PHE 43 HE1 PHE 43 1.834 -2.502 -1.642 256 HZ PHE 43 HZ PHE 43 0.257 -1.132 -2.947 257 H LEU 44 HN LEU 44 -3.392 -1.920 3.072 258 HA LEU 44 HA LEU 44 -3.869 0.187 1.354 259 HB2 LEU 44 HB2 LEU 44 -5.674 -0.508 3.674 260 HB3 LEU 44 HB1 LEU 44 -6.145 0.136 2.108 261 HG LEU 44 HG LEU 44 -5.493 -2.648 2.891 262 HD11 LEU 44 HD11 LEU 44 -7.269 -3.066 1.163 263 HD12 LEU 44 HD12 LEU 44 -7.483 -1.302 1.100 264 HD13 LEU 44 HD13 LEU 44 -7.768 -2.171 2.609 265 HD21 LEU 44 HD21 LEU 44 -5.235 -3.151 0.422 266 HD22 LEU 44 HD22 LEU 44 -3.850 -2.483 1.282 267 HD23 LEU 44 HD23 LEU 44 -4.827 -1.441 0.247 268 H MET 45 HN MET 45 -3.275 0.199 4.822 269 HA MET 45 HA MET 45 -3.752 2.965 5.222 270 HB2 MET 45 HB2 MET 45 -1.948 1.058 6.708 271 HB3 MET 45 HB1 MET 45 -2.278 2.705 7.229 272 HG2 MET 45 HG2 MET 45 -4.696 2.103 7.280 273 HG3 MET 45 HG1 MET 45 -4.218 0.434 6.985 274 HE1 MET 45 HE1 MET 45 -3.084 -1.124 8.762 275 HE2 MET 45 HE2 MET 45 -2.243 -0.501 10.180 276 HE3 MET 45 HE3 MET 45 -1.691 -0.062 8.564 277 H LEU 46 HN LEU 46 -0.631 1.261 4.950 278 HA LEU 46 HA LEU 46 1.075 3.396 4.795 279 HB2 LEU 46 HB2 LEU 46 1.312 0.945 3.052 280 HB3 LEU 46 HB1 LEU 46 2.614 1.999 3.560 281 HG LEU 46 HG LEU 46 1.097 -0.006 5.196 282 HD11 LEU 46 HD11 LEU 46 3.213 -0.977 5.568 283 HD12 LEU 46 HD12 LEU 46 4.048 0.415 4.884 284 HD13 LEU 46 HD13 LEU 46 3.103 -0.643 3.839 285 HD21 LEU 46 HD21 LEU 46 2.050 0.837 7.182 286 HD22 LEU 46 HD22 LEU 46 1.334 2.238 6.368 287 HD23 LEU 46 HD23 LEU 46 3.079 1.965 6.301 288 H ARG 47 HN ARG 47 -0.455 1.777 2.070 289 HA ARG 47 HA ARG 47 0.376 3.515 0.051 290 HB2 ARG 47 HB2 ARG 47 -0.525 1.487 -0.652 291 HB3 ARG 47 HB1 ARG 47 -1.932 1.634 0.388 292 HG2 ARG 47 HG2 ARG 47 -2.245 3.770 -1.217 293 HG3 ARG 47 HG1 ARG 47 -1.479 2.639 -2.329 294 HD2 ARG 47 HD2 ARG 47 -3.185 1.000 -1.850 295 HD3 ARG 47 HD1 ARG 47 -3.896 2.072 -0.630 296 HE ARG 47 HE ARG 47 -3.725 2.789 -3.489 297 HH11 ARG 47 HH11 ARG 47 -5.592 2.362 -0.575 298 HH12 ARG 47 HH12 ARG 47 -6.944 3.284 -1.156 299 HH21 ARG 47 HH21 ARG 47 -5.444 4.069 -4.211 300 HH22 ARG 47 HH22 ARG 47 -6.836 4.315 -3.209 301 H HIS 48 HN HIS 48 -2.754 3.404 1.712 302 HA HIS 48 HA HIS 48 -4.087 5.568 0.876 303 HB2 HIS 48 HB2 HIS 48 -3.839 4.257 3.478 304 HB3 HIS 48 HB1 HIS 48 -4.435 5.913 3.569 305 HD1 HIS 48 HD1 HIS 48 -6.468 4.173 4.512 306 HD2 HIS 48 HD2 HIS 48 -5.859 4.576 0.421 307 HE1 HIS 48 HE1 HIS 48 -8.569 3.315 3.436 308 HE2 HIS 48 HE2 HIS 48 -8.245 3.736 0.978 309 H ARG 49 HN ARG 49 -1.699 5.826 3.528 310 HA ARG 49 HA ARG 49 -2.128 8.577 3.877 311 HB2 ARG 49 HB2 ARG 49 0.412 7.097 4.485 312 HB3 ARG 49 HB1 ARG 49 -0.181 8.568 5.253 313 HG2 ARG 49 HG2 ARG 49 -2.194 7.184 5.966 314 HG3 ARG 49 HG1 ARG 49 -1.242 5.772 5.496 315 HD2 ARG 49 HD2 ARG 49 0.541 7.157 6.961 316 HD3 ARG 49 HD1 ARG 49 -0.957 7.573 7.780 317 HE ARG 49 HE ARG 49 -0.109 4.780 7.321 318 HH11 ARG 49 HH11 ARG 49 -1.438 7.276 9.405 319 HH12 ARG 49 HH12 ARG 49 -1.661 6.200 10.745 320 HH21 ARG 49 HH21 ARG 49 -0.401 3.383 9.088 321 HH22 ARG 49 HH22 ARG 49 -1.086 3.985 10.562 322 H ALA 50 HN ALA 50 0.358 6.837 2.092 323 HA ALA 50 HA ALA 50 1.745 9.031 1.035 324 HB1 ALA 50 HB1 ALA 50 2.573 6.714 0.970 325 HB2 ALA 50 HB2 ALA 50 2.635 7.490 -0.613 326 HB3 ALA 50 HB3 ALA 50 1.356 6.328 -0.248 327 H ALA 51 HN ALA 51 -0.707 7.023 -0.612 328 HA ALA 51 HA ALA 51 -1.145 8.470 -2.874 329 HB1 ALA 51 HB1 ALA 51 -3.126 6.954 -1.181 330 HB2 ALA 51 HB2 ALA 51 -2.162 6.324 -2.518 331 HB3 ALA 51 HB3 ALA 51 -3.439 7.499 -2.826 332 H LEU 52 HN LEU 52 -2.599 9.019 0.308 333 HA LEU 52 HA LEU 52 -4.349 11.056 -0.766 334 HB2 LEU 52 HB2 LEU 52 -4.007 10.409 2.147 335 HB3 LEU 52 HB1 LEU 52 -5.414 11.060 1.325 336 HG LEU 52 HG LEU 52 -4.364 8.256 0.992 337 HD11 LEU 52 HD11 LEU 52 -6.330 7.564 2.225 338 HD12 LEU 52 HD12 LEU 52 -6.773 9.252 2.487 339 HD13 LEU 52 HD13 LEU 52 -5.292 8.604 3.202 340 HD21 LEU 52 HD21 LEU 52 -6.812 9.617 -0.092 341 HD22 LEU 52 HD22 LEU 52 -6.495 7.878 -0.176 342 HD23 LEU 52 HD23 LEU 52 -5.429 9.014 -1.010 343 H GLY 53 HN GLY 53 -2.377 11.248 2.205 344 HA2 GLY 53 HA2 GLY 53 -0.563 13.164 1.313 345 HA3 GLY 53 HA1 GLY 53 -1.961 14.032 1.916 346 H ALA 54 HN ALA 54 -1.399 11.073 3.543 347 HA ALA 54 HA ALA 54 -0.457 12.540 5.864 348 HB1 ALA 54 HB1 ALA 54 -0.975 10.406 7.064 349 HB2 ALA 54 HB2 ALA 54 -1.596 9.781 5.537 350 HB3 ALA 54 HB3 ALA 54 -2.353 11.181 6.288 351 H ASP 55 HN ASP 55 1.436 12.129 6.903 352 HA ASP 55 HA ASP 55 3.302 10.329 5.514 353 HB2 ASP 55 HB2 ASP 55 3.755 13.104 6.572 354 HB3 ASP 55 HB1 ASP 55 5.092 12.000 6.261 355 H ASP 56 HN ASP 56 1.872 9.363 7.652 356 HA ASP 56 HA ASP 56 3.577 9.312 9.960 357 HB2 ASP 56 HB2 ASP 56 1.043 8.597 9.709 358 HB3 ASP 56 HB1 ASP 56 1.745 7.033 9.307 359 H ASN 57 HN ASN 57 5.353 8.140 10.272 360 HA ASN 57 HA ASN 57 7.008 7.487 8.358 361 HB2 ASN 57 HB2 ASN 57 8.211 6.008 9.913 362 HB3 ASN 57 HB1 ASN 57 7.803 7.589 10.564 363 HD21 ASN 57 HD21 ASN 57 7.339 4.184 10.807 364 HD22 ASN 57 HD22 ASN 57 6.371 4.199 12.236 365 H ASP 58 HN ASP 58 4.834 4.890 9.631 366 HA ASP 58 HA ASP 58 6.190 2.834 8.242 367 HB2 ASP 58 HB2 ASP 58 3.950 1.596 8.397 368 HB3 ASP 58 HB1 ASP 58 4.743 2.042 9.898 369 H ALA 59 HN ALA 59 3.644 4.929 7.384 370 HA ALA 59 HA ALA 59 3.181 3.917 4.751 371 HB1 ALA 59 HB1 ALA 59 1.529 5.249 5.931 372 HB2 ALA 59 HB2 ALA 59 1.940 5.948 4.358 373 HB3 ALA 59 HB3 ALA 59 2.598 6.656 5.835 374 H VAL 60 HN VAL 60 5.449 6.288 6.063 375 HA VAL 60 HA VAL 60 6.006 7.374 3.470 376 HB VAL 60 HB VAL 60 7.651 8.736 4.425 377 HG11 VAL 60 HG11 VAL 60 6.558 9.689 6.438 378 HG12 VAL 60 HG12 VAL 60 5.463 8.307 6.434 379 HG13 VAL 60 HG13 VAL 60 5.472 9.431 5.076 380 HG21 VAL 60 HG21 VAL 60 8.503 8.431 6.748 381 HG22 VAL 60 HG22 VAL 60 9.032 7.224 5.577 382 HG23 VAL 60 HG23 VAL 60 7.760 6.831 6.732 383 H LYS 61 HN LYS 61 7.502 5.010 5.621 384 HA LYS 61 HA LYS 61 9.745 4.433 4.025 385 HB2 LYS 61 HB2 LYS 61 8.172 2.644 5.873 386 HB3 LYS 61 HB1 LYS 61 9.821 2.364 5.321 387 HG2 LYS 61 HG2 LYS 61 10.693 4.037 6.636 388 HG3 LYS 61 HG1 LYS 61 9.155 4.912 6.723 389 HD2 LYS 61 HD2 LYS 61 9.974 3.644 8.825 390 HD3 LYS 61 HD1 LYS 61 8.291 3.436 8.329 391 HE2 LYS 61 HE2 LYS 61 8.884 1.365 7.190 392 HE3 LYS 61 HE1 LYS 61 10.562 1.563 7.684 393 HZ1 LYS 61 HZ1 LYS 61 9.853 1.404 9.994 394 HZ2 LYS 61 HZ2 LYS 61 9.404 0.023 9.128 395 HZ3 LYS 61 HZ3 LYS 61 8.248 1.192 9.507 396 H PHE 62 HN PHE 62 6.428 3.317 3.999 397 HA PHE 62 HA PHE 62 6.640 1.307 2.054 398 HB2 PHE 62 HB2 PHE 62 4.614 1.581 3.365 399 HB3 PHE 62 HB1 PHE 62 4.368 3.196 2.710 400 HD1 PHE 62 HD2 PHE 62 4.256 -0.384 1.983 401 HD2 PHE 62 HD1 PHE 62 3.385 3.520 0.546 402 HE1 PHE 62 HE2 PHE 62 2.917 -1.355 0.163 403 HE2 PHE 62 HE1 PHE 62 2.042 2.561 -1.272 404 HZ PHE 62 HZ PHE 62 1.807 0.120 -1.465 405 H ARG 63 HN ARG 63 5.648 4.693 1.755 406 HA ARG 63 HA ARG 63 5.564 4.990 -0.959 407 HB2 ARG 63 HB2 ARG 63 4.843 6.751 0.430 408 HB3 ARG 63 HB1 ARG 63 6.359 6.815 1.295 409 HG2 ARG 63 HG2 ARG 63 6.284 7.556 -1.595 410 HG3 ARG 63 HG1 ARG 63 5.711 8.697 -0.376 411 HD2 ARG 63 HD2 ARG 63 8.000 8.075 0.792 412 HD3 ARG 63 HD1 ARG 63 8.452 7.623 -0.849 413 HE ARG 63 HE ARG 63 7.390 10.144 -1.058 414 HH11 ARG 63 HH11 ARG 63 10.022 8.641 0.693 415 HH12 ARG 63 HH12 ARG 63 11.002 10.071 0.699 416 HH21 ARG 63 HH21 ARG 63 8.681 12.034 -1.051 417 HH22 ARG 63 HH22 ARG 63 10.246 11.999 -0.297 418 H SER 64 HN SER 64 8.362 5.874 1.003 419 HA SER 64 HA SER 64 10.206 6.350 -0.882 420 HB2 SER 64 HB2 SER 64 10.687 4.933 1.733 421 HB3 SER 64 HB1 SER 64 11.945 5.700 0.760 422 HG SER 64 HG SER 64 10.621 6.891 2.571 423 H TRP 65 HN TRP 65 9.299 3.073 0.115 424 HA TRP 65 HA TRP 65 11.286 1.910 -1.641 425 HB2 TRP 65 HB2 TRP 65 11.068 0.559 0.202 426 HB3 TRP 65 HB1 TRP 65 9.343 0.863 0.352 427 HD1 TRP 65 HD1 TRP 65 11.801 -1.373 -1.602 428 HE1 TRP 65 HE1 TRP 65 10.484 -3.421 -2.488 429 HE3 TRP 65 HE3 TRP 65 7.159 0.111 -0.304 430 HZ2 TRP 65 HZ2 TRP 65 7.783 -4.234 -2.640 431 HZ3 TRP 65 HZ3 TRP 65 5.240 -1.336 -0.844 432 HH2 TRP 65 HH2 TRP 65 5.549 -3.474 -1.978 433 H TRP 66 HN TRP 66 7.771 2.197 -1.546 434 HA TRP 66 HA TRP 66 7.374 0.475 -3.788 435 HB2 TRP 66 HB2 TRP 66 5.786 0.798 -1.874 436 HB3 TRP 66 HB1 TRP 66 5.417 2.391 -2.517 437 HD1 TRP 66 HD1 TRP 66 3.158 2.322 -3.656 438 HE1 TRP 66 HE1 TRP 66 1.869 0.683 -5.130 439 HE3 TRP 66 HE3 TRP 66 6.542 -1.489 -3.807 440 HZ2 TRP 66 HZ2 TRP 66 2.214 -1.833 -6.219 441 HZ3 TRP 66 HZ3 TRP 66 5.973 -3.500 -5.103 442 HH2 TRP 66 HH2 TRP 66 3.851 -3.674 -6.289 443 H ASN 67 HN ASN 67 8.049 3.820 -3.456 444 HA ASN 67 HA ASN 67 6.763 4.463 -6.006 445 HB2 ASN 67 HB2 ASN 67 7.749 6.102 -3.719 446 HB3 ASN 67 HB1 ASN 67 7.570 6.841 -5.307 447 HD21 ASN 67 HD21 ASN 67 5.929 5.278 -2.682 448 HD22 ASN 67 HD22 ASN 67 4.342 5.798 -3.105 449 H SER 68 HN SER 68 9.635 3.320 -5.001 450 HA SER 68 HA SER 68 11.179 4.797 -6.981 451 HB2 SER 68 HB2 SER 68 12.019 2.530 -5.155 452 HB3 SER 68 HB1 SER 68 13.095 3.448 -6.209 453 HG SER 68 HG SER 68 11.508 4.853 -4.376 454 H ARG 69 HN ARG 69 9.203 2.135 -6.729 455 HA ARG 69 HA ARG 69 10.469 0.768 -8.986 456 HB2 ARG 69 HB2 ARG 69 8.843 -1.116 -7.875 457 HB3 ARG 69 HB1 ARG 69 10.555 -0.943 -7.559 458 HG2 ARG 69 HG2 ARG 69 10.226 0.074 -5.507 459 HG3 ARG 69 HG1 ARG 69 8.555 0.494 -5.868 460 HD2 ARG 69 HD2 ARG 69 8.813 -1.385 -4.256 461 HD3 ARG 69 HD1 ARG 69 7.873 -1.786 -5.692 462 HE ARG 69 HE ARG 69 10.731 -2.478 -5.524 463 HH11 ARG 69 HH11 ARG 69 7.392 -3.375 -5.962 464 HH12 ARG 69 HH12 ARG 69 7.729 -5.018 -6.406 465 HH21 ARG 69 HH21 ARG 69 11.219 -4.651 -6.114 466 HH22 ARG 69 HH22 ARG 69 9.922 -5.744 -6.479 467 H THR 70 HN THR 70 7.346 0.925 -7.370 468 HA THR 70 HA THR 70 5.946 0.550 -9.906 469 HB THR 70 HB THR 70 4.895 0.617 -7.092 470 HG1 THR 70 HG1 THR 70 5.313 -1.741 -8.612 471 HG21 THR 70 HG21 THR 70 3.132 0.990 -8.650 472 HG22 THR 70 HG22 THR 70 3.011 -0.679 -8.090 473 HG23 THR 70 HG23 THR 70 3.688 -0.329 -9.684 474 H LYS 71 HN LYS 71 5.640 2.569 -7.016 475 HA LYS 71 HA LYS 71 4.759 4.617 -6.653 476 HB2 LYS 71 HB2 LYS 71 4.914 4.858 -9.608 477 HB3 LYS 71 HB1 LYS 71 4.343 6.119 -8.548 478 HG2 LYS 71 HG2 LYS 71 6.395 6.582 -7.705 479 HG3 LYS 71 HG1 LYS 71 6.966 4.928 -7.915 480 HD2 LYS 71 HD2 LYS 71 6.558 6.923 -10.135 481 HD3 LYS 71 HD1 LYS 71 8.108 6.512 -9.389 482 HE2 LYS 71 HE2 LYS 71 7.728 4.153 -10.041 483 HE3 LYS 71 HE1 LYS 71 6.286 4.665 -10.911 484 HZ1 LYS 71 HZ1 LYS 71 7.711 6.125 -12.266 485 HZ2 LYS 71 HZ2 LYS 71 8.115 4.495 -12.434 486 HZ3 LYS 71 HZ3 LYS 71 9.077 5.506 -11.483 487 H MET 72 HN MET 72 3.285 2.138 -7.241 488 HA MET 72 HA MET 72 1.169 1.346 -7.282 489 HB2 MET 72 HB2 MET 72 -0.346 2.796 -5.763 490 HB3 MET 72 HB1 MET 72 1.083 2.040 -5.104 491 HG2 MET 72 HG2 MET 72 1.334 4.080 -4.251 492 HG3 MET 72 HG1 MET 72 2.167 4.329 -5.780 493 HE1 MET 72 HE1 MET 72 1.979 6.933 -5.587 494 HE2 MET 72 HE2 MET 72 1.204 6.736 -4.014 495 HE3 MET 72 HE3 MET 72 0.476 7.786 -5.230 496 H ALA 73 HN ALA 73 -1.284 2.634 -7.009 497 HA ALA 73 HA ALA 73 -1.843 4.154 -9.352 498 HB1 ALA 73 HB1 ALA 73 -2.819 1.313 -9.189 499 HB2 ALA 73 HB2 ALA 73 -1.615 1.917 -10.327 500 HB3 ALA 73 HB3 ALA 73 -3.275 2.500 -10.411 501 H ASN 74 HN ASN 74 -2.401 5.382 -7.486 502 HA ASN 74 HA ASN 74 -3.852 5.056 -5.321 503 HB2 ASN 74 HB2 ASN 74 -4.491 7.274 -7.278 504 HB3 ASN 74 HB1 ASN 74 -4.634 7.332 -5.526 505 HD21 ASN 74 HD21 ASN 74 -2.888 7.854 -4.335 506 HD22 ASN 74 HD22 ASN 74 -1.335 8.223 -4.985 507 H ASP 75 HN ASP 75 -5.261 3.200 -5.735 508 HA ASP 75 HA ASP 75 -7.143 2.112 -6.269 509 HB2 ASP 75 HB2 ASP 75 -9.298 3.265 -5.664 510 HB3 ASP 75 HB1 ASP 75 -8.092 3.149 -4.397 511 H TYR 76 HN TYR 76 -5.890 3.304 -8.545 512 HA TYR 76 HA TYR 76 -8.104 4.088 -10.252 513 HB2 TYR 76 HB2 TYR 76 -5.218 3.467 -10.833 514 HB3 TYR 76 HB1 TYR 76 -6.394 3.884 -12.073 515 HD1 TYR 76 HD1 TYR 76 -7.639 6.135 -11.777 516 HD2 TYR 76 HD2 TYR 76 -4.021 5.160 -9.771 517 HE1 TYR 76 HE1 TYR 76 -7.205 8.516 -11.418 518 HE2 TYR 76 HE2 TYR 76 -3.576 7.537 -9.403 519 HH TYR 76 HH TYR 76 -4.186 9.699 -10.409 Start of MODEL 12 1 H1 GLY 10 HT1 GLY 10 -12.579 6.550 -3.445 2 H2 GLY 10 HT2 GLY 10 -12.406 5.475 -4.735 3 H3 GLY 10 HT3 GLY 10 -11.456 6.873 -4.667 4 HA2 GLY 10 HA1 GLY 10 -10.144 4.967 -4.035 5 HA3 GLY 10 HA2 GLY 10 -10.355 6.064 -2.677 6 H THR 11 HN THR 11 -9.659 3.713 -1.838 7 HA THR 11 HA THR 11 -12.076 2.157 -1.308 8 HB THR 11 HB THR 11 -9.519 1.065 -0.408 9 HG1 THR 11 HG1 THR 11 -10.029 1.386 -3.205 10 HG21 THR 11 HG21 THR 11 -11.593 -0.189 -0.400 11 HG22 THR 11 HG22 THR 11 -10.409 -0.946 -1.471 12 HG23 THR 11 HG23 THR 11 -11.730 0.003 -2.151 13 H TYR 12 HN TYR 12 -10.567 0.890 0.907 14 HA TYR 12 HA TYR 12 -10.912 2.924 2.996 15 HB2 TYR 12 HB2 TYR 12 -12.053 0.235 3.468 16 HB3 TYR 12 HB1 TYR 12 -12.592 1.794 4.086 17 HD1 TYR 12 HD2 TYR 12 -13.740 3.367 2.350 18 HD2 TYR 12 HD1 TYR 12 -13.208 -0.811 1.805 19 HE1 TYR 12 HE2 TYR 12 -15.506 3.366 0.654 20 HE2 TYR 12 HE1 TYR 12 -14.948 -0.823 0.112 21 HH TYR 12 HH TYR 12 -16.190 2.001 -1.295 22 H ARG 13 HN ARG 13 -10.888 1.067 5.090 23 HA ARG 13 HA ARG 13 -8.940 -0.971 4.833 24 HB2 ARG 13 HB2 ARG 13 -7.536 1.167 4.885 25 HB3 ARG 13 HB1 ARG 13 -8.114 1.367 6.525 26 HG2 ARG 13 HG2 ARG 13 -6.775 -1.172 5.736 27 HG3 ARG 13 HG1 ARG 13 -5.818 0.267 6.090 28 HD2 ARG 13 HD2 ARG 13 -7.730 -1.165 7.918 29 HD3 ARG 13 HD1 ARG 13 -5.972 -1.073 8.067 30 HE ARG 13 HE ARG 13 -7.106 1.523 8.115 31 HH11 ARG 13 HH11 ARG 13 -6.730 -1.348 10.086 32 HH12 ARG 13 HH12 ARG 13 -6.847 -0.491 11.588 33 HH21 ARG 13 HH21 ARG 13 -7.271 2.656 10.094 34 HH22 ARG 13 HH22 ARG 13 -7.168 1.789 11.594 35 H GLY 14 HN GLY 14 -9.201 -2.397 6.541 36 HA2 GLY 14 HA2 GLY 14 -9.795 -2.985 8.752 37 HA3 GLY 14 HA1 GLY 14 -10.454 -1.372 8.967 38 H ARG 15 HN ARG 15 -11.103 -4.105 6.780 39 HA ARG 15 HA ARG 15 -13.704 -4.599 7.663 40 HB2 ARG 15 HB2 ARG 15 -14.977 -3.495 5.799 41 HB3 ARG 15 HB1 ARG 15 -14.305 -2.383 6.984 42 HG2 ARG 15 HG2 ARG 15 -12.320 -2.202 5.366 43 HG3 ARG 15 HG1 ARG 15 -13.421 -2.911 4.177 44 HD2 ARG 15 HD2 ARG 15 -13.704 -0.331 5.688 45 HD3 ARG 15 HD1 ARG 15 -13.558 -0.561 3.939 46 HE ARG 15 HE ARG 15 -15.830 -1.892 4.495 47 HH11 ARG 15 HH11 ARG 15 -14.739 1.308 5.398 48 HH12 ARG 15 HH12 ARG 15 -16.320 2.009 5.321 49 HH21 ARG 15 HH21 ARG 15 -17.918 -0.974 4.412 50 HH22 ARG 15 HH22 ARG 15 -18.129 0.713 4.759 51 H GLY 16 HN GLY 16 -11.290 -5.844 6.488 52 HA2 GLY 16 HA2 GLY 16 -10.785 -7.543 5.017 53 HA3 GLY 16 HA1 GLY 16 -12.517 -7.717 4.743 54 H VAL 17 HN VAL 17 -10.913 -4.719 4.327 55 HA VAL 17 HA VAL 17 -11.847 -3.892 1.967 56 HB VAL 17 HB VAL 17 -9.390 -2.901 1.580 57 HG11 VAL 17 HG11 VAL 17 -10.065 -1.075 3.085 58 HG12 VAL 17 HG12 VAL 17 -11.349 -2.104 3.720 59 HG13 VAL 17 HG13 VAL 17 -11.365 -1.622 2.024 60 HG21 VAL 17 HG21 VAL 17 -8.227 -4.191 3.185 61 HG22 VAL 17 HG22 VAL 17 -9.447 -3.889 4.427 62 HG23 VAL 17 HG23 VAL 17 -8.403 -2.577 3.887 63 H ALA 18 HN ALA 18 -11.594 -4.071 -0.101 64 HA ALA 18 HA ALA 18 -9.944 -6.269 -1.101 65 HB1 ALA 18 HB1 ALA 18 -12.328 -6.368 -1.641 66 HB2 ALA 18 HB2 ALA 18 -11.348 -6.188 -3.095 67 HB3 ALA 18 HB3 ALA 18 -12.212 -4.800 -2.438 68 H LEU 19 HN LEU 19 -10.067 -2.897 -0.898 69 HA LEU 19 HA LEU 19 -8.705 -1.234 -1.665 70 HB2 LEU 19 HB2 LEU 19 -7.085 -2.883 -0.881 71 HB3 LEU 19 HB1 LEU 19 -7.059 -3.609 -2.438 72 HG LEU 19 HG LEU 19 -5.098 -2.226 -1.762 73 HD11 LEU 19 HD11 LEU 19 -5.442 -0.861 -4.095 74 HD12 LEU 19 HD12 LEU 19 -6.483 -2.273 -4.272 75 HD13 LEU 19 HD13 LEU 19 -4.774 -2.479 -3.902 76 HD21 LEU 19 HD21 LEU 19 -5.185 0.150 -1.957 77 HD22 LEU 19 HD22 LEU 19 -6.326 -0.396 -0.728 78 HD23 LEU 19 HD23 LEU 19 -6.914 0.090 -2.317 79 H THR 20 HN THR 20 -7.750 -0.361 -3.883 80 HA THR 20 HA THR 20 -9.440 -0.950 -6.035 81 HB THR 20 HB THR 20 -8.315 1.200 -5.948 82 HG1 THR 20 HG1 THR 20 -7.031 0.662 -8.178 83 HG21 THR 20 HG21 THR 20 -5.887 1.364 -6.484 84 HG22 THR 20 HG22 THR 20 -5.777 -0.389 -6.259 85 HG23 THR 20 HG23 THR 20 -6.244 0.650 -4.912 86 H ASP 21 HN ASP 21 -7.717 -1.410 -8.267 87 HA ASP 21 HA ASP 21 -7.664 -4.257 -8.001 88 HB2 ASP 21 HB2 ASP 21 -8.395 -3.101 -10.074 89 HB3 ASP 21 HB1 ASP 21 -6.726 -2.603 -10.344 90 H ASP 22 HN ASP 22 -5.064 -1.908 -8.774 91 HA ASP 22 HA ASP 22 -3.132 -3.953 -9.080 92 HB2 ASP 22 HB2 ASP 22 -3.001 -0.980 -8.889 93 HB3 ASP 22 HB1 ASP 22 -1.514 -1.915 -8.808 94 H GLU 23 HN GLU 23 -3.154 -1.423 -6.603 95 HA GLU 23 HA GLU 23 -1.117 -2.260 -5.064 96 HB2 GLU 23 HB2 GLU 23 -3.671 -0.999 -4.125 97 HB3 GLU 23 HB1 GLU 23 -2.345 -1.356 -3.043 98 HG2 GLU 23 HG2 GLU 23 -2.232 0.945 -3.743 99 HG3 GLU 23 HG1 GLU 23 -0.846 0.047 -4.349 100 H TYR 24 HN TYR 24 -4.288 -3.818 -4.973 101 HA TYR 24 HA TYR 24 -3.804 -5.171 -2.526 102 HB2 TYR 24 HB2 TYR 24 -6.046 -4.759 -3.612 103 HB3 TYR 24 HB1 TYR 24 -5.644 -6.034 -4.766 104 HD1 TYR 24 HD2 TYR 24 -5.337 -8.374 -3.968 105 HD2 TYR 24 HD1 TYR 24 -6.857 -5.323 -1.385 106 HE1 TYR 24 HE2 TYR 24 -6.213 -10.095 -2.451 107 HE2 TYR 24 HE1 TYR 24 -7.738 -7.048 0.116 108 HH TYR 24 HH TYR 24 -8.416 -9.395 0.055 109 H ASP 25 HN ASP 25 -3.727 -6.309 -5.885 110 HA ASP 25 HA ASP 25 -2.358 -8.708 -5.502 111 HB2 ASP 25 HB2 ASP 25 -2.276 -6.752 -7.805 112 HB3 ASP 25 HB1 ASP 25 -1.448 -8.304 -7.849 113 H GLU 26 HN GLU 26 -1.100 -5.450 -5.976 114 HA GLU 26 HA GLU 26 1.629 -6.179 -6.033 115 HB2 GLU 26 HB2 GLU 26 0.385 -3.518 -5.351 116 HB3 GLU 26 HB1 GLU 26 2.060 -3.785 -5.803 117 HG2 GLU 26 HG2 GLU 26 -0.364 -4.197 -7.538 118 HG3 GLU 26 HG1 GLU 26 0.835 -2.915 -7.681 119 H TRP 27 HN TRP 27 -0.576 -5.546 -3.421 120 HA TRP 27 HA TRP 27 1.279 -5.145 -1.342 121 HB2 TRP 27 HB2 TRP 27 -0.831 -4.680 -0.603 122 HB3 TRP 27 HB1 TRP 27 -1.563 -5.973 -1.542 123 HD1 TRP 27 HD1 TRP 27 0.413 -5.519 1.802 124 HE1 TRP 27 HE1 TRP 27 -0.354 -7.384 3.391 125 HE3 TRP 27 HE3 TRP 27 -2.594 -8.161 -1.398 126 HZ2 TRP 27 HZ2 TRP 27 -2.017 -9.625 3.313 127 HZ3 TRP 27 HZ3 TRP 27 -3.730 -10.170 -0.547 128 HH2 TRP 27 HH2 TRP 27 -3.438 -10.898 1.766 129 H ARG 28 HN ARG 28 -0.041 -8.031 -2.832 130 HA ARG 28 HA ARG 28 1.052 -9.928 -1.087 131 HB2 ARG 28 HB2 ARG 28 0.699 -10.225 -4.079 132 HB3 ARG 28 HB1 ARG 28 0.755 -11.521 -2.888 133 HG2 ARG 28 HG2 ARG 28 -1.316 -10.565 -1.868 134 HG3 ARG 28 HG1 ARG 28 -1.387 -9.434 -3.217 135 HD2 ARG 28 HD2 ARG 28 -1.463 -12.439 -3.421 136 HD3 ARG 28 HD1 ARG 28 -2.842 -11.353 -3.596 137 HE ARG 28 HE ARG 28 -0.810 -10.644 -5.432 138 HH11 ARG 28 HH11 ARG 28 -3.194 -13.140 -4.852 139 HH12 ARG 28 HH12 ARG 28 -3.392 -13.513 -6.533 140 HH21 ARG 28 HH21 ARG 28 -1.055 -11.145 -7.639 141 HH22 ARG 28 HH22 ARG 28 -2.175 -12.378 -8.122 142 H GLU 29 HN GLU 29 2.419 -8.247 -3.888 143 HA GLU 29 HA GLU 29 4.980 -9.502 -3.715 144 HB2 GLU 29 HB2 GLU 29 4.191 -8.393 -5.768 145 HB3 GLU 29 HB1 GLU 29 4.242 -6.841 -4.938 146 HG2 GLU 29 HG2 GLU 29 6.596 -6.887 -4.784 147 HG3 GLU 29 HG1 GLU 29 6.664 -8.583 -5.265 148 H HIS 30 HN HIS 30 3.704 -6.401 -2.535 149 HA HIS 30 HA HIS 30 5.826 -5.369 -1.164 150 HB2 HIS 30 HB2 HIS 30 3.636 -4.279 -1.158 151 HB3 HIS 30 HB1 HIS 30 2.973 -5.563 -0.158 152 HD1 HIS 30 HD1 HIS 30 2.300 -3.939 1.731 153 HD2 HIS 30 HD2 HIS 30 6.359 -3.887 0.867 154 HE1 HIS 30 HE1 HIS 30 3.358 -2.605 3.592 155 HE2 HIS 30 HE2 HIS 30 5.800 -2.475 2.965 156 H ASN 31 HN ASN 31 3.808 -8.080 -0.131 157 HA ASN 31 HA ASN 31 4.949 -8.541 2.364 158 HB2 ASN 31 HB2 ASN 31 3.602 -10.327 0.376 159 HB3 ASN 31 HB1 ASN 31 4.347 -11.021 1.811 160 HD21 ASN 31 HD21 ASN 31 1.768 -9.078 0.577 161 HD22 ASN 31 HD22 ASN 31 0.856 -8.997 2.042 162 H ALA 32 HN ALA 32 5.838 -9.846 -0.795 163 HA ALA 32 HA ALA 32 8.033 -11.380 0.101 164 HB1 ALA 32 HB1 ALA 32 7.545 -10.208 -2.628 165 HB2 ALA 32 HB2 ALA 32 6.877 -11.733 -2.034 166 HB3 ALA 32 HB3 ALA 32 8.619 -11.551 -2.233 167 H SER 33 HN SER 33 7.992 -8.320 -1.718 168 HA SER 33 HA SER 33 10.727 -7.944 -1.768 169 HB2 SER 33 HB2 SER 33 9.140 -6.761 -3.223 170 HB3 SER 33 HB1 SER 33 8.582 -5.812 -1.854 171 HG SER 33 HG SER 33 11.317 -5.859 -2.511 172 H ARG 34 HN ARG 34 8.492 -7.031 0.811 173 HA ARG 34 HA ARG 34 10.683 -5.590 2.114 174 HB2 ARG 34 HB2 ARG 34 7.727 -5.514 2.589 175 HB3 ARG 34 HB1 ARG 34 8.894 -4.748 3.660 176 HG2 ARG 34 HG2 ARG 34 8.633 -4.147 0.719 177 HG3 ARG 34 HG1 ARG 34 7.890 -3.200 2.008 178 HD2 ARG 34 HD2 ARG 34 10.853 -3.700 1.818 179 HD3 ARG 34 HD1 ARG 34 10.059 -2.309 1.092 180 HE ARG 34 HE ARG 34 9.438 -2.584 3.866 181 HH11 ARG 34 HH11 ARG 34 11.908 -1.488 1.651 182 HH12 ARG 34 HH12 ARG 34 12.505 -0.258 2.717 183 HH21 ARG 34 HH21 ARG 34 10.220 -0.975 5.287 184 HH22 ARG 34 HH22 ARG 34 11.546 0.030 4.792 185 H LYS 35 HN LYS 35 9.438 -8.616 2.087 186 HA LYS 35 HA LYS 35 9.954 -10.446 3.302 187 HB2 LYS 35 HB2 LYS 35 11.919 -8.546 4.540 188 HB3 LYS 35 HB1 LYS 35 11.812 -10.226 5.027 189 HG2 LYS 35 HG2 LYS 35 13.536 -10.226 3.487 190 HG3 LYS 35 HG1 LYS 35 12.152 -10.748 2.531 191 HD2 LYS 35 HD2 LYS 35 11.872 -8.415 1.746 192 HD3 LYS 35 HD1 LYS 35 13.334 -7.976 2.631 193 HE2 LYS 35 HE2 LYS 35 13.130 -9.952 0.363 194 HE3 LYS 35 HE1 LYS 35 13.849 -8.344 0.291 195 HZ1 LYS 35 HZ1 LYS 35 15.534 -10.053 0.511 196 HZ2 LYS 35 HZ2 LYS 35 14.833 -10.607 1.945 197 HZ3 LYS 35 HZ3 LYS 35 15.522 -9.063 1.882 198 H LEU 36 HN LEU 36 7.857 -8.553 4.193 199 HA LEU 36 HA LEU 36 7.750 -9.207 7.039 200 HB2 LEU 36 HB2 LEU 36 5.658 -7.525 6.677 201 HB3 LEU 36 HB1 LEU 36 7.289 -6.979 7.049 202 HG LEU 36 HG LEU 36 7.683 -6.654 4.614 203 HD11 LEU 36 HD11 LEU 36 5.683 -6.587 3.157 204 HD12 LEU 36 HD12 LEU 36 4.770 -7.361 4.456 205 HD13 LEU 36 HD13 LEU 36 6.125 -8.204 3.708 206 HD21 LEU 36 HD21 LEU 36 6.936 -4.823 6.112 207 HD22 LEU 36 HD22 LEU 36 5.269 -5.153 5.617 208 HD23 LEU 36 HD23 LEU 36 6.467 -4.617 4.424 209 H ASP 37 HN ASP 37 5.049 -9.039 7.395 210 HA ASP 37 HA ASP 37 3.781 -10.994 5.645 211 HB2 ASP 37 HB2 ASP 37 4.958 -12.268 7.490 212 HB3 ASP 37 HB1 ASP 37 3.923 -11.431 8.643 213 H LEU 38 HN LEU 38 3.352 -8.375 5.772 214 HA LEU 38 HA LEU 38 1.457 -7.565 7.744 215 HB2 LEU 38 HB2 LEU 38 1.755 -5.477 6.887 216 HB3 LEU 38 HB1 LEU 38 3.180 -6.215 6.223 217 HG LEU 38 HG LEU 38 0.634 -6.122 4.688 218 HD11 LEU 38 HD11 LEU 38 0.978 -3.867 5.386 219 HD12 LEU 38 HD12 LEU 38 1.486 -4.008 3.700 220 HD13 LEU 38 HD13 LEU 38 2.695 -3.964 4.987 221 HD21 LEU 38 HD21 LEU 38 2.077 -6.283 2.785 222 HD22 LEU 38 HD22 LEU 38 2.576 -7.522 3.941 223 HD23 LEU 38 HD23 LEU 38 3.504 -6.030 3.789 224 H SER 39 HN SER 39 -0.734 -7.018 7.387 225 HA SER 39 HA SER 39 -2.008 -8.740 5.423 226 HB2 SER 39 HB2 SER 39 -3.206 -7.015 7.585 227 HB3 SER 39 HB1 SER 39 -4.117 -8.089 6.540 228 HG SER 39 HG SER 39 -2.060 -8.873 8.336 229 H VAL 40 HN VAL 40 -4.033 -7.650 4.340 230 HA VAL 40 HA VAL 40 -2.841 -5.803 2.565 231 HB VAL 40 HB VAL 40 -4.888 -7.531 2.301 232 HG11 VAL 40 HG11 VAL 40 -6.537 -6.286 3.538 233 HG12 VAL 40 HG12 VAL 40 -6.959 -6.266 1.826 234 HG13 VAL 40 HG13 VAL 40 -6.228 -4.845 2.570 235 HG21 VAL 40 HG21 VAL 40 -3.541 -6.567 0.575 236 HG22 VAL 40 HG22 VAL 40 -4.456 -5.053 0.681 237 HG23 VAL 40 HG23 VAL 40 -5.250 -6.532 0.137 238 H GLU 41 HN GLU 41 -5.305 -5.473 5.044 239 HA GLU 41 HA GLU 41 -5.967 -2.837 4.715 240 HB2 GLU 41 HB2 GLU 41 -5.632 -4.062 7.431 241 HB3 GLU 41 HB1 GLU 41 -6.817 -2.869 6.893 242 HG2 GLU 41 HG2 GLU 41 -7.583 -4.706 5.262 243 HG3 GLU 41 HG1 GLU 41 -6.701 -5.797 6.321 244 H ASP 42 HN ASP 42 -3.274 -4.105 6.722 245 HA ASP 42 HA ASP 42 -2.211 -1.687 7.494 246 HB2 ASP 42 HB2 ASP 42 -0.963 -4.368 6.975 247 HB3 ASP 42 HB1 ASP 42 0.045 -2.989 7.380 248 H PHE 43 HN PHE 43 -1.640 -3.474 4.472 249 HA PHE 43 HA PHE 43 0.231 -1.714 3.345 250 HB2 PHE 43 HB2 PHE 43 -0.146 -3.831 2.267 251 HB3 PHE 43 HB1 PHE 43 -1.849 -3.465 2.023 252 HD1 PHE 43 HD2 PHE 43 -2.304 -1.280 0.554 253 HD2 PHE 43 HD1 PHE 43 1.303 -3.544 0.474 254 HE1 PHE 43 HE2 PHE 43 -1.788 -0.348 -1.634 255 HE2 PHE 43 HE1 PHE 43 1.820 -2.620 -1.746 256 HZ PHE 43 HZ PHE 43 0.268 -1.020 -2.805 257 H LEU 44 HN LEU 44 -3.259 -1.907 2.982 258 HA LEU 44 HA LEU 44 -3.605 0.175 1.210 259 HB2 LEU 44 HB2 LEU 44 -5.619 -0.499 3.341 260 HB3 LEU 44 HB1 LEU 44 -5.927 0.078 1.711 261 HG LEU 44 HG LEU 44 -5.228 -2.661 2.651 262 HD11 LEU 44 HD11 LEU 44 -7.187 -1.553 0.665 263 HD12 LEU 44 HD12 LEU 44 -7.534 -2.124 2.294 264 HD13 LEU 44 HD13 LEU 44 -6.987 -3.266 1.058 265 HD21 LEU 44 HD21 LEU 44 -4.501 -1.494 0.001 266 HD22 LEU 44 HD22 LEU 44 -4.923 -3.200 0.157 267 HD23 LEU 44 HD23 LEU 44 -3.562 -2.541 1.064 268 H MET 45 HN MET 45 -3.225 0.239 4.661 269 HA MET 45 HA MET 45 -3.875 2.974 5.059 270 HB2 MET 45 HB2 MET 45 -1.960 1.193 6.581 271 HB3 MET 45 HB1 MET 45 -2.413 2.814 7.089 272 HG2 MET 45 HG2 MET 45 -4.817 1.964 7.032 273 HG3 MET 45 HG1 MET 45 -4.107 0.356 6.941 274 HE1 MET 45 HE1 MET 45 -3.110 -0.941 9.036 275 HE2 MET 45 HE2 MET 45 -2.278 -0.054 10.313 276 HE3 MET 45 HE3 MET 45 -1.760 0.121 8.637 277 H LEU 46 HN LEU 46 -0.739 1.376 4.687 278 HA LEU 46 HA LEU 46 0.943 3.525 4.582 279 HB2 LEU 46 HB2 LEU 46 1.197 1.134 2.765 280 HB3 LEU 46 HB1 LEU 46 2.492 2.155 3.354 281 HG LEU 46 HG LEU 46 0.878 0.152 4.916 282 HD11 LEU 46 HD11 LEU 46 2.836 -0.577 3.517 283 HD12 LEU 46 HD12 LEU 46 2.891 -0.990 5.229 284 HD13 LEU 46 HD13 LEU 46 3.847 0.359 4.621 285 HD21 LEU 46 HD21 LEU 46 1.874 0.884 6.908 286 HD22 LEU 46 HD22 LEU 46 1.290 2.360 6.123 287 HD23 LEU 46 HD23 LEU 46 3.006 1.934 6.054 288 H ARG 47 HN ARG 47 -0.578 2.016 1.722 289 HA ARG 47 HA ARG 47 0.389 4.005 -0.048 290 HB2 ARG 47 HB2 ARG 47 -0.159 2.376 -1.452 291 HB3 ARG 47 HB1 ARG 47 -1.169 1.587 -0.251 292 HG2 ARG 47 HG2 ARG 47 -2.439 3.933 -1.362 293 HG3 ARG 47 HG1 ARG 47 -1.990 2.773 -2.611 294 HD2 ARG 47 HD2 ARG 47 -3.335 1.109 -1.717 295 HD3 ARG 47 HD1 ARG 47 -3.390 1.872 -0.127 296 HE ARG 47 HE ARG 47 -5.169 3.128 -0.822 297 HH11 ARG 47 HH11 ARG 47 -3.623 1.763 -3.633 298 HH12 ARG 47 HH12 ARG 47 -4.814 2.349 -4.743 299 HH21 ARG 47 HH21 ARG 47 -6.767 3.890 -2.282 300 HH22 ARG 47 HH22 ARG 47 -6.597 3.551 -3.976 301 H HIS 48 HN HIS 48 -2.831 3.510 1.394 302 HA HIS 48 HA HIS 48 -4.244 5.669 0.610 303 HB2 HIS 48 HB2 HIS 48 -4.050 4.263 3.181 304 HB3 HIS 48 HB1 HIS 48 -4.643 5.913 3.317 305 HD1 HIS 48 HD1 HIS 48 -6.713 4.202 4.167 306 HD2 HIS 48 HD2 HIS 48 -6.052 4.690 0.102 307 HE1 HIS 48 HE1 HIS 48 -8.816 3.420 3.052 308 HE2 HIS 48 HE2 HIS 48 -8.303 3.481 0.588 309 H ARG 49 HN ARG 49 -1.918 5.847 3.314 310 HA ARG 49 HA ARG 49 -2.338 8.590 3.758 311 HB2 ARG 49 HB2 ARG 49 0.144 7.025 4.386 312 HB3 ARG 49 HB1 ARG 49 -0.381 8.531 5.143 313 HG2 ARG 49 HG2 ARG 49 -2.449 7.297 5.878 314 HG3 ARG 49 HG1 ARG 49 -1.653 5.815 5.342 315 HD2 ARG 49 HD2 ARG 49 0.300 6.853 6.799 316 HD3 ARG 49 HD1 ARG 49 -1.072 7.567 7.637 317 HE ARG 49 HE ARG 49 -0.554 4.679 7.337 318 HH11 ARG 49 HH11 ARG 49 -2.207 7.331 8.944 319 HH12 ARG 49 HH12 ARG 49 -2.889 6.314 10.173 320 HH21 ARG 49 HH21 ARG 49 -1.458 3.355 8.967 321 HH22 ARG 49 HH22 ARG 49 -2.470 4.067 10.184 322 H ALA 50 HN ALA 50 0.102 6.874 1.897 323 HA ALA 50 HA ALA 50 1.610 9.076 1.047 324 HB1 ALA 50 HB1 ALA 50 1.162 6.481 -0.421 325 HB2 ALA 50 HB2 ALA 50 2.369 6.754 0.836 326 HB3 ALA 50 HB3 ALA 50 2.481 7.621 -0.696 327 H ALA 51 HN ALA 51 -0.897 7.320 -0.835 328 HA ALA 51 HA ALA 51 -1.101 9.093 -2.946 329 HB1 ALA 51 HB1 ALA 51 -2.117 6.839 -2.861 330 HB2 ALA 51 HB2 ALA 51 -3.235 8.081 -3.420 331 HB3 ALA 51 HB3 ALA 51 -3.351 7.473 -1.770 332 H LEU 52 HN LEU 52 -2.777 9.191 0.175 333 HA LEU 52 HA LEU 52 -4.554 11.280 -0.704 334 HB2 LEU 52 HB2 LEU 52 -4.119 10.439 2.151 335 HB3 LEU 52 HB1 LEU 52 -5.548 11.161 1.435 336 HG LEU 52 HG LEU 52 -4.541 8.383 0.852 337 HD11 LEU 52 HD11 LEU 52 -6.893 9.260 2.507 338 HD12 LEU 52 HD12 LEU 52 -5.378 8.595 3.126 339 HD13 LEU 52 HD13 LEU 52 -6.435 7.598 2.122 340 HD21 LEU 52 HD21 LEU 52 -5.685 9.295 -1.041 341 HD22 LEU 52 HD22 LEU 52 -7.022 9.831 -0.021 342 HD23 LEU 52 HD23 LEU 52 -6.721 8.104 -0.249 343 H GLY 53 HN GLY 53 -2.499 11.350 2.229 344 HA2 GLY 53 HA2 GLY 53 -0.727 13.316 1.380 345 HA3 GLY 53 HA1 GLY 53 -2.119 14.150 2.046 346 H ALA 54 HN ALA 54 -1.465 11.123 3.514 347 HA ALA 54 HA ALA 54 -0.551 12.528 5.896 348 HB1 ALA 54 HB1 ALA 54 -2.428 11.174 6.337 349 HB2 ALA 54 HB2 ALA 54 -1.040 10.326 7.019 350 HB3 ALA 54 HB3 ALA 54 -1.727 9.803 5.484 351 H ASP 55 HN ASP 55 1.389 12.215 6.818 352 HA ASP 55 HA ASP 55 3.255 10.477 5.358 353 HB2 ASP 55 HB2 ASP 55 3.646 13.192 6.594 354 HB3 ASP 55 HB1 ASP 55 5.015 12.122 6.310 355 H ASP 56 HN ASP 56 1.814 9.349 7.357 356 HA ASP 56 HA ASP 56 3.370 9.211 9.760 357 HB2 ASP 56 HB2 ASP 56 0.914 8.520 9.486 358 HB3 ASP 56 HB1 ASP 56 1.535 7.041 8.760 359 H ASN 57 HN ASN 57 5.148 8.069 10.133 360 HA ASN 57 HA ASN 57 6.911 7.470 8.286 361 HB2 ASN 57 HB2 ASN 57 8.094 6.046 9.859 362 HB3 ASN 57 HB1 ASN 57 7.555 7.562 10.557 363 HD21 ASN 57 HD21 ASN 57 7.223 4.115 10.548 364 HD22 ASN 57 HD22 ASN 57 6.251 3.998 11.965 365 H ASP 58 HN ASP 58 4.697 4.851 9.416 366 HA ASP 58 HA ASP 58 6.125 2.850 7.985 367 HB2 ASP 58 HB2 ASP 58 3.913 1.558 8.116 368 HB3 ASP 58 HB1 ASP 58 4.725 1.952 9.621 369 H ALA 59 HN ALA 59 3.539 4.949 7.198 370 HA ALA 59 HA ALA 59 3.089 3.992 4.562 371 HB1 ALA 59 HB1 ALA 59 2.530 6.721 5.689 372 HB2 ALA 59 HB2 ALA 59 1.442 5.324 5.745 373 HB3 ALA 59 HB3 ALA 59 1.874 6.053 4.194 374 H VAL 60 HN VAL 60 5.322 6.403 5.911 375 HA VAL 60 HA VAL 60 5.946 7.432 3.307 376 HB VAL 60 HB VAL 60 7.526 8.869 4.279 377 HG11 VAL 60 HG11 VAL 60 5.326 8.456 6.277 378 HG12 VAL 60 HG12 VAL 60 5.278 9.481 4.843 379 HG13 VAL 60 HG13 VAL 60 6.355 9.884 6.179 380 HG21 VAL 60 HG21 VAL 60 8.910 7.447 5.516 381 HG22 VAL 60 HG22 VAL 60 7.606 7.001 6.612 382 HG23 VAL 60 HG23 VAL 60 8.278 8.633 6.661 383 H LYS 61 HN LYS 61 7.461 5.175 5.575 384 HA LYS 61 HA LYS 61 9.714 4.635 3.942 385 HB2 LYS 61 HB2 LYS 61 8.379 3.010 6.105 386 HB3 LYS 61 HB1 LYS 61 9.943 2.623 5.390 387 HG2 LYS 61 HG2 LYS 61 10.939 4.528 6.290 388 HG3 LYS 61 HG1 LYS 61 9.377 5.292 6.623 389 HD2 LYS 61 HD2 LYS 61 8.943 3.432 8.260 390 HD3 LYS 61 HD1 LYS 61 10.623 2.928 8.028 391 HE2 LYS 61 HE2 LYS 61 11.363 5.148 8.721 392 HE3 LYS 61 HE1 LYS 61 9.686 5.617 8.966 393 HZ1 LYS 61 HZ1 LYS 61 9.528 3.829 10.647 394 HZ2 LYS 61 HZ2 LYS 61 10.649 5.025 11.061 395 HZ3 LYS 61 HZ3 LYS 61 11.184 3.540 10.463 396 H PHE 62 HN PHE 62 6.454 3.333 4.060 397 HA PHE 62 HA PHE 62 6.756 1.272 2.175 398 HB2 PHE 62 HB2 PHE 62 4.674 1.532 3.397 399 HB3 PHE 62 HB1 PHE 62 4.426 3.131 2.709 400 HD1 PHE 62 HD2 PHE 62 4.417 -0.488 1.975 401 HD2 PHE 62 HD1 PHE 62 3.508 3.414 0.551 402 HE1 PHE 62 HE2 PHE 62 3.147 -1.469 0.124 403 HE2 PHE 62 HE1 PHE 62 2.227 2.436 -1.306 404 HZ PHE 62 HZ PHE 62 2.058 -0.044 -1.509 405 H ARG 63 HN ARG 63 5.706 4.616 1.782 406 HA ARG 63 HA ARG 63 5.668 4.886 -0.926 407 HB2 ARG 63 HB2 ARG 63 4.936 6.636 0.516 408 HB3 ARG 63 HB1 ARG 63 6.506 6.767 1.275 409 HG2 ARG 63 HG2 ARG 63 6.238 7.384 -1.624 410 HG3 ARG 63 HG1 ARG 63 5.686 8.556 -0.425 411 HD2 ARG 63 HD2 ARG 63 8.076 8.056 0.628 412 HD3 ARG 63 HD1 ARG 63 8.441 7.603 -1.040 413 HE ARG 63 HE ARG 63 7.122 10.126 -0.821 414 HH11 ARG 63 HH11 ARG 63 10.239 8.539 -0.732 415 HH12 ARG 63 HH12 ARG 63 11.118 9.980 -1.116 416 HH21 ARG 63 HH21 ARG 63 8.272 12.013 -1.328 417 HH22 ARG 63 HH22 ARG 63 10.001 11.956 -1.462 418 H SER 64 HN SER 64 8.446 5.777 1.072 419 HA SER 64 HA SER 64 10.425 6.188 -0.640 420 HB2 SER 64 HB2 SER 64 10.767 6.184 1.764 421 HB3 SER 64 HB1 SER 64 10.631 4.428 1.810 422 HG SER 64 HG SER 64 12.717 6.045 0.861 423 H TRP 65 HN TRP 65 9.419 2.881 0.245 424 HA TRP 65 HA TRP 65 11.309 1.688 -1.565 425 HB2 TRP 65 HB2 TRP 65 11.025 0.360 0.291 426 HB3 TRP 65 HB1 TRP 65 9.305 0.703 0.403 427 HD1 TRP 65 HD1 TRP 65 11.761 -1.610 -1.442 428 HE1 TRP 65 HE1 TRP 65 10.425 -3.636 -2.350 429 HE3 TRP 65 HE3 TRP 65 7.112 -0.006 -0.313 430 HZ2 TRP 65 HZ2 TRP 65 7.716 -4.401 -2.555 431 HZ3 TRP 65 HZ3 TRP 65 5.177 -1.426 -0.881 432 HH2 TRP 65 HH2 TRP 65 5.478 -3.591 -1.978 433 H TRP 66 HN TRP 66 7.809 2.131 -1.512 434 HA TRP 66 HA TRP 66 7.425 0.463 -3.829 435 HB2 TRP 66 HB2 TRP 66 5.828 0.648 -1.889 436 HB3 TRP 66 HB1 TRP 66 5.436 2.270 -2.443 437 HD1 TRP 66 HD1 TRP 66 3.248 2.290 -3.696 438 HE1 TRP 66 HE1 TRP 66 1.982 0.713 -5.259 439 HE3 TRP 66 HE3 TRP 66 6.554 -1.585 -3.789 440 HZ2 TRP 66 HZ2 TRP 66 2.323 -1.794 -6.388 441 HZ3 TRP 66 HZ3 TRP 66 6.007 -3.558 -5.151 442 HH2 TRP 66 HH2 TRP 66 3.929 -3.667 -6.428 443 H ASN 67 HN ASN 67 7.931 3.830 -3.266 444 HA ASN 67 HA ASN 67 6.700 4.567 -5.811 445 HB2 ASN 67 HB2 ASN 67 7.607 6.097 -3.427 446 HB3 ASN 67 HB1 ASN 67 7.533 6.916 -4.985 447 HD21 ASN 67 HD21 ASN 67 5.725 5.322 -2.503 448 HD22 ASN 67 HD22 ASN 67 4.173 5.878 -3.001 449 H SER 68 HN SER 68 9.580 3.467 -4.751 450 HA SER 68 HA SER 68 11.113 5.053 -6.649 451 HB2 SER 68 HB2 SER 68 12.090 4.532 -4.404 452 HB3 SER 68 HB1 SER 68 12.062 2.822 -4.825 453 HG SER 68 HG SER 68 13.291 3.923 -6.813 454 H ARG 69 HN ARG 69 9.238 2.313 -6.485 455 HA ARG 69 HA ARG 69 10.623 1.027 -8.726 456 HB2 ARG 69 HB2 ARG 69 9.312 -1.050 -7.919 457 HB3 ARG 69 HB1 ARG 69 10.740 -0.561 -7.033 458 HG2 ARG 69 HG2 ARG 69 9.326 0.509 -5.356 459 HG3 ARG 69 HG1 ARG 69 7.895 -0.002 -6.254 460 HD2 ARG 69 HD2 ARG 69 8.394 -1.492 -4.370 461 HD3 ARG 69 HD1 ARG 69 8.469 -2.318 -5.924 462 HE ARG 69 HE ARG 69 10.923 -1.355 -4.619 463 HH11 ARG 69 HH11 ARG 69 9.010 -3.952 -5.985 464 HH12 ARG 69 HH12 ARG 69 10.273 -5.131 -5.832 465 HH21 ARG 69 HH21 ARG 69 12.594 -2.909 -4.419 466 HH22 ARG 69 HH22 ARG 69 12.309 -4.541 -4.939 467 H THR 70 HN THR 70 7.444 1.237 -7.231 468 HA THR 70 HA THR 70 6.147 0.893 -9.843 469 HB THR 70 HB THR 70 4.949 0.776 -7.093 470 HG1 THR 70 HG1 THR 70 5.228 -1.644 -8.242 471 HG21 THR 70 HG21 THR 70 3.272 1.078 -8.750 472 HG22 THR 70 HG22 THR 70 3.233 -0.620 -8.262 473 HG23 THR 70 HG23 THR 70 3.990 -0.158 -9.788 474 H LYS 71 HN LYS 71 5.622 2.629 -6.818 475 HA LYS 71 HA LYS 71 4.650 4.609 -6.294 476 HB2 LYS 71 HB2 LYS 71 4.615 5.242 -9.221 477 HB3 LYS 71 HB1 LYS 71 4.413 6.350 -7.883 478 HG2 LYS 71 HG2 LYS 71 6.708 5.902 -7.157 479 HG3 LYS 71 HG1 LYS 71 6.919 4.830 -8.536 480 HD2 LYS 71 HD2 LYS 71 7.922 6.999 -8.951 481 HD3 LYS 71 HD1 LYS 71 6.561 6.723 -10.049 482 HE2 LYS 71 HE2 LYS 71 5.124 8.074 -8.568 483 HE3 LYS 71 HE1 LYS 71 6.511 8.374 -7.523 484 HZ1 LYS 71 HZ1 LYS 71 6.116 10.219 -9.023 485 HZ2 LYS 71 HZ2 LYS 71 6.273 9.203 -10.365 486 HZ3 LYS 71 HZ3 LYS 71 7.604 9.494 -9.364 487 H MET 72 HN MET 72 3.330 2.123 -7.138 488 HA MET 72 HA MET 72 1.260 1.244 -7.268 489 HB2 MET 72 HB2 MET 72 -0.451 2.519 -5.867 490 HB3 MET 72 HB1 MET 72 1.015 2.003 -5.080 491 HG2 MET 72 HG2 MET 72 1.909 4.291 -5.483 492 HG3 MET 72 HG1 MET 72 0.294 4.718 -5.981 493 HE1 MET 72 HE1 MET 72 0.654 6.393 -2.442 494 HE2 MET 72 HE2 MET 72 0.364 6.678 -4.157 495 HE3 MET 72 HE3 MET 72 1.954 6.149 -3.608 496 H ALA 73 HN ALA 73 -1.252 2.100 -7.394 497 HA ALA 73 HA ALA 73 -1.556 3.916 -9.624 498 HB1 ALA 73 HB1 ALA 73 -3.086 2.366 -10.752 499 HB2 ALA 73 HB2 ALA 73 -2.704 1.137 -9.547 500 HB3 ALA 73 HB3 ALA 73 -1.452 1.715 -10.646 501 H ASN 74 HN ASN 74 -2.097 5.109 -7.675 502 HA ASN 74 HA ASN 74 -3.444 4.986 -5.555 503 HB2 ASN 74 HB2 ASN 74 -4.269 6.911 -7.721 504 HB3 ASN 74 HB1 ASN 74 -4.731 7.077 -6.032 505 HD21 ASN 74 HD21 ASN 74 -2.195 6.132 -4.997 506 HD22 ASN 74 HD22 ASN 74 -1.058 7.403 -5.273 507 H ASP 75 HN ASP 75 -5.681 5.530 -8.272 508 HA ASP 75 HA ASP 75 -7.391 3.399 -7.211 509 HB2 ASP 75 HB2 ASP 75 -9.387 4.819 -7.432 510 HB3 ASP 75 HB1 ASP 75 -8.248 5.528 -6.294 511 H TYR 76 HN TYR 76 -5.567 3.711 -9.506 512 HA TYR 76 HA TYR 76 -7.388 3.949 -11.779 513 HB2 TYR 76 HB2 TYR 76 -4.383 3.800 -11.667 514 HB3 TYR 76 HB1 TYR 76 -5.349 4.090 -13.114 515 HD1 TYR 76 HD1 TYR 76 -6.828 6.177 -13.151 516 HD2 TYR 76 HD2 TYR 76 -3.727 5.585 -10.305 517 HE1 TYR 76 HE1 TYR 76 -6.775 8.583 -12.717 518 HE2 TYR 76 HE2 TYR 76 -3.669 7.989 -9.855 519 HH TYR 76 HH TYR 76 -6.084 10.129 -10.946 Start of MODEL 13 1 H1 GLY 10 HT1 GLY 10 -10.528 7.422 -4.554 2 H2 GLY 10 HT2 GLY 10 -11.873 6.403 -4.469 3 H3 GLY 10 HT3 GLY 10 -10.342 5.752 -4.771 4 HA2 GLY 10 HA1 GLY 10 -9.593 6.410 -2.576 5 HA3 GLY 10 HA2 GLY 10 -11.181 7.095 -2.263 6 H THR 11 HN THR 11 -9.821 4.977 -0.796 7 HA THR 11 HA THR 11 -11.745 2.819 -1.210 8 HB THR 11 HB THR 11 -9.482 1.747 0.055 9 HG1 THR 11 HG1 THR 11 -8.607 2.930 -2.364 10 HG21 THR 11 HG21 THR 11 -10.821 0.400 -1.325 11 HG22 THR 11 HG22 THR 11 -9.261 0.525 -2.156 12 HG23 THR 11 HG23 THR 11 -10.628 1.488 -2.705 13 H TYR 12 HN TYR 12 -10.716 1.383 0.946 14 HA TYR 12 HA TYR 12 -11.423 2.990 3.286 15 HB2 TYR 12 HB2 TYR 12 -12.294 0.164 3.028 16 HB3 TYR 12 HB1 TYR 12 -12.954 1.438 4.043 17 HD1 TYR 12 HD1 TYR 12 -12.827 0.086 0.641 18 HD2 TYR 12 HD2 TYR 12 -14.634 2.892 3.245 19 HE1 TYR 12 HE1 TYR 12 -14.556 0.475 -1.028 20 HE2 TYR 12 HE2 TYR 12 -16.406 3.307 1.580 21 HH TYR 12 HH TYR 12 -16.799 3.065 -0.798 22 H ARG 13 HN ARG 13 -11.189 1.021 5.168 23 HA ARG 13 HA ARG 13 -9.196 -0.929 4.589 24 HB2 ARG 13 HB2 ARG 13 -7.815 1.132 4.919 25 HB3 ARG 13 HB1 ARG 13 -8.455 1.231 6.544 26 HG2 ARG 13 HG2 ARG 13 -7.221 -1.343 5.854 27 HG3 ARG 13 HG1 ARG 13 -6.129 0.042 5.886 28 HD2 ARG 13 HD2 ARG 13 -7.887 -0.965 8.113 29 HD3 ARG 13 HD1 ARG 13 -6.118 -0.982 8.040 30 HE ARG 13 HE ARG 13 -7.093 1.665 7.805 31 HH11 ARG 13 HH11 ARG 13 -6.624 -0.894 10.137 32 HH12 ARG 13 HH12 ARG 13 -6.461 0.185 11.485 33 HH21 ARG 13 HH21 ARG 13 -6.889 3.099 9.570 34 HH22 ARG 13 HH22 ARG 13 -6.614 2.463 11.161 35 H GLY 14 HN GLY 14 -9.695 -2.656 5.802 36 HA2 GLY 14 HA2 GLY 14 -10.153 -3.602 7.987 37 HA3 GLY 14 HA1 GLY 14 -11.081 -2.156 8.349 38 H ARG 15 HN ARG 15 -12.573 -1.977 6.052 39 HA ARG 15 HA ARG 15 -14.678 -3.749 6.799 40 HB2 ARG 15 HB2 ARG 15 -15.909 -2.429 4.960 41 HB3 ARG 15 HB1 ARG 15 -15.375 -1.552 6.386 42 HG2 ARG 15 HG2 ARG 15 -14.717 -0.127 4.740 43 HG3 ARG 15 HG1 ARG 15 -13.249 -1.089 4.948 44 HD2 ARG 15 HD2 ARG 15 -13.721 -0.814 2.584 45 HD3 ARG 15 HD1 ARG 15 -13.957 -2.510 3.053 46 HE ARG 15 HE ARG 15 -16.410 -1.143 3.267 47 HH11 ARG 15 HH11 ARG 15 -14.195 -2.301 0.814 48 HH12 ARG 15 HH12 ARG 15 -15.427 -2.482 -0.389 49 HH21 ARG 15 HH21 ARG 15 -18.022 -1.362 1.684 50 HH22 ARG 15 HH22 ARG 15 -17.597 -1.943 0.103 51 H GLY 16 HN GLY 16 -12.808 -5.426 5.826 52 HA2 GLY 16 HA2 GLY 16 -12.525 -7.153 4.319 53 HA3 GLY 16 HA1 GLY 16 -14.165 -6.812 3.779 54 H VAL 17 HN VAL 17 -11.696 -4.423 3.751 55 HA VAL 17 HA VAL 17 -12.106 -3.433 1.262 56 HB VAL 17 HB VAL 17 -9.546 -2.834 1.312 57 HG11 VAL 17 HG11 VAL 17 -10.115 -0.978 2.771 58 HG12 VAL 17 HG12 VAL 17 -11.537 -1.850 3.347 59 HG13 VAL 17 HG13 VAL 17 -11.439 -1.345 1.655 60 HG21 VAL 17 HG21 VAL 17 -8.754 -4.348 2.937 61 HG22 VAL 17 HG22 VAL 17 -10.082 -3.990 4.045 62 HG23 VAL 17 HG23 VAL 17 -8.827 -2.784 3.759 63 H ALA 18 HN ALA 18 -11.668 -3.814 -0.710 64 HA ALA 18 HA ALA 18 -10.032 -6.158 -1.391 65 HB1 ALA 18 HB1 ALA 18 -11.221 -6.235 -3.506 66 HB2 ALA 18 HB2 ALA 18 -12.099 -4.763 -3.093 67 HB3 ALA 18 HB3 ALA 18 -12.375 -6.240 -2.171 68 H LEU 19 HN LEU 19 -10.248 -2.770 -1.495 69 HA LEU 19 HA LEU 19 -8.803 -1.161 -2.159 70 HB2 LEU 19 HB2 LEU 19 -7.307 -2.709 -0.996 71 HB3 LEU 19 HB1 LEU 19 -7.000 -3.531 -2.476 72 HG LEU 19 HG LEU 19 -5.225 -2.040 -1.573 73 HD11 LEU 19 HD11 LEU 19 -4.590 -2.450 -3.621 74 HD12 LEU 19 HD12 LEU 19 -5.169 -0.810 -3.963 75 HD13 LEU 19 HD13 LEU 19 -6.207 -2.198 -4.272 76 HD21 LEU 19 HD21 LEU 19 -7.018 0.147 -2.538 77 HD22 LEU 19 HD22 LEU 19 -5.364 0.311 -1.937 78 HD23 LEU 19 HD23 LEU 19 -6.647 -0.218 -0.853 79 H THR 20 HN THR 20 -7.491 -0.418 -4.290 80 HA THR 20 HA THR 20 -8.940 -1.120 -6.559 81 HB THR 20 HB THR 20 -7.775 0.949 -6.682 82 HG1 THR 20 HG1 THR 20 -7.165 0.722 -8.727 83 HG21 THR 20 HG21 THR 20 -5.230 -0.627 -6.306 84 HG22 THR 20 HG22 THR 20 -5.917 0.549 -5.187 85 HG23 THR 20 HG23 THR 20 -5.291 1.080 -6.747 86 H ASP 21 HN ASP 21 -8.030 -2.196 -8.512 87 HA ASP 21 HA ASP 21 -7.651 -4.874 -7.817 88 HB2 ASP 21 HB2 ASP 21 -7.276 -3.483 -10.464 89 HB3 ASP 21 HB1 ASP 21 -7.157 -5.229 -10.272 90 H ASP 22 HN ASP 22 -5.266 -2.499 -8.896 91 HA ASP 22 HA ASP 22 -3.220 -4.453 -9.280 92 HB2 ASP 22 HB2 ASP 22 -3.059 -1.451 -9.112 93 HB3 ASP 22 HB1 ASP 22 -1.730 -2.495 -9.595 94 H GLU 23 HN GLU 23 -3.309 -1.717 -6.999 95 HA GLU 23 HA GLU 23 -1.080 -2.301 -5.562 96 HB2 GLU 23 HB2 GLU 23 -3.542 -1.185 -4.268 97 HB3 GLU 23 HB1 GLU 23 -1.875 -0.995 -3.748 98 HG2 GLU 23 HG2 GLU 23 -3.172 0.192 -6.172 99 HG3 GLU 23 HG1 GLU 23 -2.453 0.999 -4.790 100 H TYR 24 HN TYR 24 -4.239 -3.797 -5.073 101 HA TYR 24 HA TYR 24 -3.708 -4.953 -2.558 102 HB2 TYR 24 HB2 TYR 24 -5.955 -4.685 -3.581 103 HB3 TYR 24 HB1 TYR 24 -5.553 -5.932 -4.753 104 HD1 TYR 24 HD2 TYR 24 -5.118 -8.281 -3.908 105 HD2 TYR 24 HD1 TYR 24 -6.880 -5.268 -1.441 106 HE1 TYR 24 HE2 TYR 24 -6.013 -10.018 -2.425 107 HE2 TYR 24 HE1 TYR 24 -7.783 -7.015 0.024 108 HH TYR 24 HH TYR 24 -8.331 -9.335 0.027 109 H ASP 25 HN ASP 25 -3.783 -6.588 -5.714 110 HA ASP 25 HA ASP 25 -2.317 -8.847 -5.112 111 HB2 ASP 25 HB2 ASP 25 -3.356 -8.381 -7.324 112 HB3 ASP 25 HB1 ASP 25 -2.047 -7.260 -7.676 113 H GLU 26 HN GLU 26 -1.061 -5.671 -6.018 114 HA GLU 26 HA GLU 26 1.672 -6.336 -5.969 115 HB2 GLU 26 HB2 GLU 26 0.269 -3.710 -5.517 116 HB3 GLU 26 HB1 GLU 26 2.009 -3.870 -5.677 117 HG2 GLU 26 HG2 GLU 26 0.014 -4.688 -7.775 118 HG3 GLU 26 HG1 GLU 26 0.875 -3.153 -7.750 119 H TRP 27 HN TRP 27 -0.557 -5.614 -3.385 120 HA TRP 27 HA TRP 27 1.283 -5.089 -1.322 121 HB2 TRP 27 HB2 TRP 27 -0.803 -4.646 -0.539 122 HB3 TRP 27 HB1 TRP 27 -1.547 -5.906 -1.511 123 HD1 TRP 27 HD1 TRP 27 0.415 -5.571 1.868 124 HE1 TRP 27 HE1 TRP 27 -0.456 -7.424 3.420 125 HE3 TRP 27 HE3 TRP 27 -2.654 -8.058 -1.408 126 HZ2 TRP 27 HZ2 TRP 27 -2.206 -9.608 3.288 127 HZ3 TRP 27 HZ3 TRP 27 -3.883 -10.027 -0.599 128 HH2 TRP 27 HH2 TRP 27 -3.653 -10.794 1.705 129 H ARG 28 HN ARG 28 0.042 -8.070 -2.683 130 HA ARG 28 HA ARG 28 1.172 -9.847 -0.835 131 HB2 ARG 28 HB2 ARG 28 0.810 -10.314 -3.804 132 HB3 ARG 28 HB1 ARG 28 0.893 -11.540 -2.544 133 HG2 ARG 28 HG2 ARG 28 -1.188 -10.438 -1.562 134 HG3 ARG 28 HG1 ARG 28 -1.297 -9.567 -3.091 135 HD2 ARG 28 HD2 ARG 28 -1.229 -12.566 -2.816 136 HD3 ARG 28 HD1 ARG 28 -2.686 -11.604 -3.049 137 HE ARG 28 HE ARG 28 -1.561 -10.871 -5.200 138 HH11 ARG 28 HH11 ARG 28 -0.937 -13.994 -3.736 139 HH12 ARG 28 HH12 ARG 28 -0.603 -14.774 -5.248 140 HH21 ARG 28 HH21 ARG 28 -1.149 -11.895 -7.190 141 HH22 ARG 28 HH22 ARG 28 -0.721 -13.582 -7.213 142 H GLU 29 HN GLU 29 2.502 -8.263 -3.707 143 HA GLU 29 HA GLU 29 5.092 -9.464 -3.433 144 HB2 GLU 29 HB2 GLU 29 4.278 -8.506 -5.578 145 HB3 GLU 29 HB1 GLU 29 4.371 -6.900 -4.862 146 HG2 GLU 29 HG2 GLU 29 6.717 -6.986 -4.707 147 HG3 GLU 29 HG1 GLU 29 6.750 -8.722 -5.017 148 H HIS 30 HN HIS 30 3.672 -6.387 -2.398 149 HA HIS 30 HA HIS 30 5.790 -5.184 -1.137 150 HB2 HIS 30 HB2 HIS 30 3.611 -4.130 -1.145 151 HB3 HIS 30 HB1 HIS 30 2.936 -5.415 -0.153 152 HD1 HIS 30 HD1 HIS 30 2.237 -4.038 1.849 153 HD2 HIS 30 HD2 HIS 30 6.209 -3.428 0.802 154 HE1 HIS 30 HE1 HIS 30 3.202 -2.585 3.676 155 HE2 HIS 30 HE2 HIS 30 5.565 -2.120 2.936 156 H ASN 31 HN ASN 31 3.874 -7.895 0.061 157 HA ASN 31 HA ASN 31 5.044 -8.250 2.559 158 HB2 ASN 31 HB2 ASN 31 3.860 -10.168 0.575 159 HB3 ASN 31 HB1 ASN 31 4.589 -10.763 2.060 160 HD21 ASN 31 HD21 ASN 31 3.546 -10.483 3.979 161 HD22 ASN 31 HD22 ASN 31 1.927 -9.876 4.095 162 H ALA 32 HN ALA 32 5.970 -9.620 -0.561 163 HA ALA 32 HA ALA 32 8.262 -10.989 0.360 164 HB1 ALA 32 HB1 ALA 32 7.042 -11.475 -1.733 165 HB2 ALA 32 HB2 ALA 32 8.784 -11.315 -1.943 166 HB3 ALA 32 HB3 ALA 32 7.715 -9.994 -2.420 167 H SER 33 HN SER 33 8.058 -8.043 -1.641 168 HA SER 33 HA SER 33 10.786 -7.621 -1.810 169 HB2 SER 33 HB2 SER 33 9.058 -6.595 -3.267 170 HB3 SER 33 HB1 SER 33 8.633 -5.510 -1.953 171 HG SER 33 HG SER 33 11.139 -5.702 -3.273 172 H ARG 34 HN ARG 34 8.557 -6.445 0.676 173 HA ARG 34 HA ARG 34 10.691 -4.835 1.828 174 HB2 ARG 34 HB2 ARG 34 7.769 -5.060 2.384 175 HB3 ARG 34 HB1 ARG 34 8.849 -4.322 3.560 176 HG2 ARG 34 HG2 ARG 34 8.437 -3.435 0.715 177 HG3 ARG 34 HG1 ARG 34 7.834 -2.634 2.166 178 HD2 ARG 34 HD2 ARG 34 10.689 -2.942 1.264 179 HD3 ARG 34 HD1 ARG 34 9.770 -1.453 1.466 180 HE ARG 34 HE ARG 34 9.796 -2.633 3.955 181 HH11 ARG 34 HH11 ARG 34 12.197 -1.482 1.684 182 HH12 ARG 34 HH12 ARG 34 13.352 -1.081 2.911 183 HH21 ARG 34 HH21 ARG 34 11.319 -2.129 5.575 184 HH22 ARG 34 HH22 ARG 34 12.857 -1.455 5.130 185 H LYS 35 HN LYS 35 9.715 -7.949 1.975 186 HA LYS 35 HA LYS 35 10.155 -9.701 3.312 187 HB2 LYS 35 HB2 LYS 35 12.319 -7.856 4.271 188 HB3 LYS 35 HB1 LYS 35 12.228 -9.562 4.685 189 HG2 LYS 35 HG2 LYS 35 12.352 -8.516 1.877 190 HG3 LYS 35 HG1 LYS 35 13.764 -9.035 2.799 191 HD2 LYS 35 HD2 LYS 35 12.887 -11.274 2.961 192 HD3 LYS 35 HD1 LYS 35 11.371 -10.775 2.211 193 HE2 LYS 35 HE2 LYS 35 12.796 -11.934 0.615 194 HE3 LYS 35 HE1 LYS 35 12.555 -10.252 0.145 195 HZ1 LYS 35 HZ1 LYS 35 14.716 -9.708 0.996 196 HZ2 LYS 35 HZ2 LYS 35 14.866 -10.991 -0.093 197 HZ3 LYS 35 HZ3 LYS 35 14.945 -11.281 1.571 198 H LEU 36 HN LEU 36 7.991 -8.597 4.179 199 HA LEU 36 HA LEU 36 8.221 -8.524 7.084 200 HB2 LEU 36 HB2 LEU 36 6.254 -6.743 6.846 201 HB3 LEU 36 HB1 LEU 36 7.941 -6.255 6.891 202 HG LEU 36 HG LEU 36 7.936 -6.070 4.435 203 HD11 LEU 36 HD11 LEU 36 5.663 -6.078 3.333 204 HD12 LEU 36 HD12 LEU 36 5.091 -6.945 4.764 205 HD13 LEU 36 HD13 LEU 36 6.348 -7.648 3.752 206 HD21 LEU 36 HD21 LEU 36 7.353 -4.153 5.899 207 HD22 LEU 36 HD22 LEU 36 5.647 -4.553 5.673 208 HD23 LEU 36 HD23 LEU 36 6.637 -4.069 4.290 209 H ASP 37 HN ASP 37 5.669 -8.296 7.772 210 HA ASP 37 HA ASP 37 4.084 -10.098 6.120 211 HB2 ASP 37 HB2 ASP 37 5.218 -11.552 7.779 212 HB3 ASP 37 HB1 ASP 37 4.530 -10.577 9.077 213 H LEU 38 HN LEU 38 2.458 -8.813 5.691 214 HA LEU 38 HA LEU 38 1.006 -7.633 7.924 215 HB2 LEU 38 HB2 LEU 38 0.876 -5.502 7.024 216 HB3 LEU 38 HB1 LEU 38 2.512 -5.955 6.733 217 HG LEU 38 HG LEU 38 0.402 -6.106 4.712 218 HD11 LEU 38 HD11 LEU 38 2.540 -4.057 5.191 219 HD12 LEU 38 HD12 LEU 38 0.796 -3.816 5.391 220 HD13 LEU 38 HD13 LEU 38 1.472 -4.094 3.783 221 HD21 LEU 38 HD21 LEU 38 2.234 -6.348 3.121 222 HD22 LEU 38 HD22 LEU 38 2.267 -7.646 4.316 223 HD23 LEU 38 HD23 LEU 38 3.386 -6.293 4.453 224 H SER 39 HN SER 39 -1.143 -7.115 7.444 225 HA SER 39 HA SER 39 -2.236 -8.828 5.363 226 HB2 SER 39 HB2 SER 39 -3.639 -7.329 7.580 227 HB3 SER 39 HB1 SER 39 -4.391 -8.481 6.482 228 HG SER 39 HG SER 39 -2.173 -9.496 7.718 229 H VAL 40 HN VAL 40 -4.399 -7.685 4.409 230 HA VAL 40 HA VAL 40 -3.124 -5.857 2.662 231 HB VAL 40 HB VAL 40 -5.179 -7.537 2.300 232 HG11 VAL 40 HG11 VAL 40 -7.218 -6.229 1.796 233 HG12 VAL 40 HG12 VAL 40 -6.489 -4.833 2.592 234 HG13 VAL 40 HG13 VAL 40 -6.850 -6.290 3.520 235 HG21 VAL 40 HG21 VAL 40 -4.686 -5.019 0.760 236 HG22 VAL 40 HG22 VAL 40 -5.412 -6.507 0.147 237 HG23 VAL 40 HG23 VAL 40 -3.726 -6.502 0.677 238 H GLU 41 HN GLU 41 -5.660 -5.465 5.086 239 HA GLU 41 HA GLU 41 -6.244 -2.817 4.839 240 HB2 GLU 41 HB2 GLU 41 -5.688 -4.190 7.477 241 HB3 GLU 41 HB1 GLU 41 -6.680 -2.758 7.227 242 HG2 GLU 41 HG2 GLU 41 -8.404 -3.950 6.286 243 HG3 GLU 41 HG1 GLU 41 -7.360 -5.294 5.828 244 H ASP 42 HN ASP 42 -3.495 -4.156 6.661 245 HA ASP 42 HA ASP 42 -2.379 -1.771 7.498 246 HB2 ASP 42 HB2 ASP 42 -0.869 -4.281 6.727 247 HB3 ASP 42 HB1 ASP 42 -0.328 -3.027 7.833 248 H PHE 43 HN PHE 43 -1.893 -3.549 4.458 249 HA PHE 43 HA PHE 43 0.054 -1.853 3.346 250 HB2 PHE 43 HB2 PHE 43 -0.376 -3.939 2.249 251 HB3 PHE 43 HB1 PHE 43 -2.072 -3.542 2.027 252 HD1 PHE 43 HD2 PHE 43 -2.664 -1.646 0.405 253 HD2 PHE 43 HD1 PHE 43 1.222 -3.373 0.616 254 HE1 PHE 43 HE2 PHE 43 -2.172 -0.767 -1.810 255 HE2 PHE 43 HE1 PHE 43 1.720 -2.485 -1.623 256 HZ PHE 43 HZ PHE 43 0.015 -1.174 -2.839 257 H LEU 44 HN LEU 44 -3.440 -1.953 2.978 258 HA LEU 44 HA LEU 44 -3.742 0.221 1.280 259 HB2 LEU 44 HB2 LEU 44 -5.793 -0.462 3.387 260 HB3 LEU 44 HB1 LEU 44 -6.070 0.119 1.757 261 HG LEU 44 HG LEU 44 -5.516 -2.643 2.716 262 HD11 LEU 44 HD11 LEU 44 -7.228 -3.160 1.009 263 HD12 LEU 44 HD12 LEU 44 -7.380 -1.420 0.709 264 HD13 LEU 44 HD13 LEU 44 -7.779 -2.079 2.295 265 HD21 LEU 44 HD21 LEU 44 -3.854 -2.749 1.188 266 HD22 LEU 44 HD22 LEU 44 -4.570 -1.519 0.144 267 HD23 LEU 44 HD23 LEU 44 -5.237 -3.153 0.172 268 H MET 45 HN MET 45 -3.351 0.093 4.748 269 HA MET 45 HA MET 45 -3.954 2.792 5.350 270 HB2 MET 45 HB2 MET 45 -1.880 0.996 6.634 271 HB3 MET 45 HB1 MET 45 -2.459 2.513 7.303 272 HG2 MET 45 HG2 MET 45 -4.686 1.574 7.535 273 HG3 MET 45 HG1 MET 45 -4.129 0.060 6.823 274 HE1 MET 45 HE1 MET 45 -2.894 1.681 10.964 275 HE2 MET 45 HE2 MET 45 -4.104 2.416 9.915 276 HE3 MET 45 HE3 MET 45 -2.399 2.477 9.471 277 H LEU 46 HN LEU 46 -0.815 1.251 4.797 278 HA LEU 46 HA LEU 46 0.808 3.468 4.763 279 HB2 LEU 46 HB2 LEU 46 1.157 1.099 2.930 280 HB3 LEU 46 HB1 LEU 46 2.411 2.166 3.526 281 HG LEU 46 HG LEU 46 0.870 0.101 5.080 282 HD11 LEU 46 HD11 LEU 46 2.802 -0.622 3.705 283 HD12 LEU 46 HD12 LEU 46 2.985 -0.919 5.434 284 HD13 LEU 46 HD13 LEU 46 3.824 0.435 4.680 285 HD21 LEU 46 HD21 LEU 46 1.857 0.848 7.077 286 HD22 LEU 46 HD22 LEU 46 1.203 2.304 6.312 287 HD23 LEU 46 HD23 LEU 46 2.935 1.956 6.224 288 H ARG 47 HN ARG 47 -0.675 1.965 1.878 289 HA ARG 47 HA ARG 47 0.260 3.949 0.107 290 HB2 ARG 47 HB2 ARG 47 -1.529 3.119 -1.450 291 HB3 ARG 47 HB1 ARG 47 -0.434 1.886 -0.845 292 HG2 ARG 47 HG2 ARG 47 -2.130 0.721 -0.067 293 HG3 ARG 47 HG1 ARG 47 -2.690 2.091 0.882 294 HD2 ARG 47 HD2 ARG 47 -3.363 1.450 -1.973 295 HD3 ARG 47 HD1 ARG 47 -4.445 1.440 -0.573 296 HE ARG 47 HE ARG 47 -3.325 4.007 -0.868 297 HH11 ARG 47 HH11 ARG 47 -5.605 1.896 -2.457 298 HH12 ARG 47 HH12 ARG 47 -6.595 3.185 -3.069 299 HH21 ARG 47 HH21 ARG 47 -4.622 5.724 -1.661 300 HH22 ARG 47 HH22 ARG 47 -6.025 5.369 -2.613 301 H HIS 48 HN HIS 48 -2.890 3.554 1.654 302 HA HIS 48 HA HIS 48 -4.248 5.748 0.913 303 HB2 HIS 48 HB2 HIS 48 -4.175 4.109 3.304 304 HB3 HIS 48 HB1 HIS 48 -4.689 5.763 3.650 305 HD1 HIS 48 HD1 HIS 48 -7.016 4.489 4.210 306 HD2 HIS 48 HD2 HIS 48 -5.844 4.632 0.238 307 HE1 HIS 48 HE1 HIS 48 -9.054 3.838 2.887 308 HE2 HIS 48 HE2 HIS 48 -8.223 3.646 0.510 309 H ARG 49 HN ARG 49 -1.965 5.792 3.680 310 HA ARG 49 HA ARG 49 -2.428 8.471 4.291 311 HB2 ARG 49 HB2 ARG 49 0.078 6.869 4.715 312 HB3 ARG 49 HB1 ARG 49 -0.305 8.413 5.497 313 HG2 ARG 49 HG2 ARG 49 -2.378 7.317 6.387 314 HG3 ARG 49 HG1 ARG 49 -1.733 5.785 5.793 315 HD2 ARG 49 HD2 ARG 49 0.342 7.027 7.159 316 HD3 ARG 49 HD1 ARG 49 -1.088 7.250 8.157 317 HE ARG 49 HE ARG 49 -0.353 4.579 7.178 318 HH11 ARG 49 HH11 ARG 49 -1.038 6.758 9.836 319 HH12 ARG 49 HH12 ARG 49 -0.905 5.520 11.047 320 HH21 ARG 49 HH21 ARG 49 -0.163 2.956 8.784 321 HH22 ARG 49 HH22 ARG 49 -0.403 3.368 10.450 322 H ALA 50 HN ALA 50 0.164 7.042 2.364 323 HA ALA 50 HA ALA 50 1.401 9.383 1.496 324 HB1 ALA 50 HB1 ALA 50 2.327 8.062 -0.326 325 HB2 ALA 50 HB2 ALA 50 1.135 6.796 -0.031 326 HB3 ALA 50 HB3 ALA 50 2.362 7.151 1.184 327 H ALA 51 HN ALA 51 -1.040 7.452 -0.265 328 HA ALA 51 HA ALA 51 -1.468 9.120 -2.399 329 HB1 ALA 51 HB1 ALA 51 -2.323 6.825 -2.166 330 HB2 ALA 51 HB2 ALA 51 -3.565 7.962 -2.690 331 HB3 ALA 51 HB3 ALA 51 -3.525 7.412 -1.015 332 H LEU 52 HN LEU 52 -2.830 9.359 0.835 333 HA LEU 52 HA LEU 52 -4.790 11.313 -0.059 334 HB2 LEU 52 HB2 LEU 52 -4.347 10.435 2.784 335 HB3 LEU 52 HB1 LEU 52 -5.811 11.070 2.047 336 HG LEU 52 HG LEU 52 -4.593 8.391 1.407 337 HD11 LEU 52 HD11 LEU 52 -5.476 8.439 3.671 338 HD12 LEU 52 HD12 LEU 52 -6.431 7.402 2.602 339 HD13 LEU 52 HD13 LEU 52 -7.032 9.006 3.051 340 HD21 LEU 52 HD21 LEU 52 -7.160 9.672 0.544 341 HD22 LEU 52 HD22 LEU 52 -6.728 7.979 0.270 342 HD23 LEU 52 HD23 LEU 52 -5.771 9.268 -0.468 343 H GLY 53 HN GLY 53 -2.554 11.343 2.771 344 HA2 GLY 53 HA2 GLY 53 -0.866 13.322 1.831 345 HA3 GLY 53 HA1 GLY 53 -2.204 14.161 2.595 346 H ALA 54 HN ALA 54 -1.363 11.096 3.937 347 HA ALA 54 HA ALA 54 -0.319 12.466 6.300 348 HB1 ALA 54 HB1 ALA 54 -0.815 10.312 7.459 349 HB2 ALA 54 HB2 ALA 54 -1.539 9.748 5.954 350 HB3 ALA 54 HB3 ALA 54 -2.223 11.136 6.792 351 H ASP 55 HN ASP 55 1.671 12.108 7.088 352 HA ASP 55 HA ASP 55 3.394 10.310 5.535 353 HB2 ASP 55 HB2 ASP 55 3.935 13.031 6.677 354 HB3 ASP 55 HB1 ASP 55 5.256 11.912 6.369 355 H ASP 56 HN ASP 56 2.098 9.178 7.529 356 HA ASP 56 HA ASP 56 3.715 8.969 9.887 357 HB2 ASP 56 HB2 ASP 56 1.410 8.214 9.988 358 HB3 ASP 56 HB1 ASP 56 1.705 7.051 8.700 359 H ASN 57 HN ASN 57 5.564 7.844 10.162 360 HA ASN 57 HA ASN 57 7.229 7.245 8.207 361 HB2 ASN 57 HB2 ASN 57 8.454 5.750 9.704 362 HB3 ASN 57 HB1 ASN 57 8.035 7.294 10.422 363 HD21 ASN 57 HD21 ASN 57 7.607 3.876 10.520 364 HD22 ASN 57 HD22 ASN 57 6.683 3.814 11.975 365 H ASP 58 HN ASP 58 4.965 4.740 9.434 366 HA ASP 58 HA ASP 58 6.190 2.628 7.981 367 HB2 ASP 58 HB2 ASP 58 3.476 3.010 9.193 368 HB3 ASP 58 HB1 ASP 58 3.760 1.642 8.120 369 H ALA 59 HN ALA 59 3.712 4.885 7.270 370 HA ALA 59 HA ALA 59 3.111 3.952 4.640 371 HB1 ALA 59 HB1 ALA 59 2.633 6.659 5.851 372 HB2 ALA 59 HB2 ALA 59 1.525 5.277 5.898 373 HB3 ALA 59 HB3 ALA 59 1.920 6.048 4.356 374 H VAL 60 HN VAL 60 5.471 6.271 5.916 375 HA VAL 60 HA VAL 60 5.978 7.299 3.282 376 HB VAL 60 HB VAL 60 7.620 8.708 4.161 377 HG11 VAL 60 HG11 VAL 60 5.523 8.338 6.277 378 HG12 VAL 60 HG12 VAL 60 5.420 9.361 4.844 379 HG13 VAL 60 HG13 VAL 60 6.571 9.750 6.122 380 HG21 VAL 60 HG21 VAL 60 9.061 7.296 5.317 381 HG22 VAL 60 HG22 VAL 60 7.817 6.832 6.477 382 HG23 VAL 60 HG23 VAL 60 8.489 8.464 6.509 383 H LYS 61 HN LYS 61 7.504 4.964 5.466 384 HA LYS 61 HA LYS 61 9.681 4.388 3.745 385 HB2 LYS 61 HB2 LYS 61 8.361 2.790 5.935 386 HB3 LYS 61 HB1 LYS 61 9.904 2.387 5.187 387 HG2 LYS 61 HG2 LYS 61 10.967 4.265 6.087 388 HG3 LYS 61 HG1 LYS 61 9.428 5.060 6.456 389 HD2 LYS 61 HD2 LYS 61 10.778 3.985 8.391 390 HD3 LYS 61 HD1 LYS 61 9.038 3.694 8.307 391 HE2 LYS 61 HE2 LYS 61 9.379 1.556 7.311 392 HE3 LYS 61 HE1 LYS 61 11.109 1.841 7.155 393 HZ1 LYS 61 HZ1 LYS 61 9.625 1.584 9.716 394 HZ2 LYS 61 HZ2 LYS 61 11.284 1.870 9.569 395 HZ3 LYS 61 HZ3 LYS 61 10.629 0.407 9.033 396 H PHE 62 HN PHE 62 6.363 3.428 3.858 397 HA PHE 62 HA PHE 62 6.536 1.323 1.956 398 HB2 PHE 62 HB2 PHE 62 4.520 1.603 3.293 399 HB3 PHE 62 HB1 PHE 62 4.279 3.220 2.647 400 HD1 PHE 62 HD2 PHE 62 4.111 -0.357 1.927 401 HD2 PHE 62 HD1 PHE 62 3.316 3.556 0.469 402 HE1 PHE 62 HE2 PHE 62 2.748 -1.308 0.115 403 HE2 PHE 62 HE1 PHE 62 1.947 2.615 -1.338 404 HZ PHE 62 HZ PHE 62 1.665 0.179 -1.520 405 H ARG 63 HN ARG 63 5.563 4.723 1.715 406 HA ARG 63 HA ARG 63 5.419 5.065 -0.977 407 HB2 ARG 63 HB2 ARG 63 4.796 6.792 0.540 408 HB3 ARG 63 HB1 ARG 63 6.409 6.878 1.213 409 HG2 ARG 63 HG2 ARG 63 5.973 7.559 -1.657 410 HG3 ARG 63 HG1 ARG 63 5.559 8.724 -0.397 411 HD2 ARG 63 HD2 ARG 63 7.925 8.321 0.504 412 HD3 ARG 63 HD1 ARG 63 8.237 7.522 -1.033 413 HE ARG 63 HE ARG 63 7.469 9.715 -2.048 414 HH11 ARG 63 HH11 ARG 63 9.165 9.485 1.009 415 HH12 ARG 63 HH12 ARG 63 9.856 11.066 0.880 416 HH21 ARG 63 HH21 ARG 63 8.370 11.790 -2.214 417 HH22 ARG 63 HH22 ARG 63 9.404 12.383 -0.953 418 H SER 64 HN SER 64 8.328 5.908 0.870 419 HA SER 64 HA SER 64 10.097 6.356 -1.060 420 HB2 SER 64 HB2 SER 64 11.888 5.428 0.434 421 HB3 SER 64 HB1 SER 64 10.772 6.541 1.221 422 HG SER 64 HG SER 64 11.225 4.599 2.425 423 H TRP 65 HN TRP 65 9.623 3.053 0.207 424 HA TRP 65 HA TRP 65 11.269 1.815 -1.711 425 HB2 TRP 65 HB2 TRP 65 10.973 0.520 0.166 426 HB3 TRP 65 HB1 TRP 65 9.254 0.878 0.268 427 HD1 TRP 65 HD1 TRP 65 11.694 -1.446 -1.607 428 HE1 TRP 65 HE1 TRP 65 10.343 -3.473 -2.479 429 HE3 TRP 65 HE3 TRP 65 7.064 0.165 -0.400 430 HZ2 TRP 65 HZ2 TRP 65 7.618 -4.226 -2.660 431 HZ3 TRP 65 HZ3 TRP 65 5.116 -1.246 -0.941 432 HH2 TRP 65 HH2 TRP 65 5.395 -3.411 -2.038 433 H TRP 66 HN TRP 66 7.740 2.179 -1.587 434 HA TRP 66 HA TRP 66 7.283 0.507 -3.841 435 HB2 TRP 66 HB2 TRP 66 5.679 1.020 -1.934 436 HB3 TRP 66 HB1 TRP 66 5.390 2.570 -2.711 437 HD1 TRP 66 HD1 TRP 66 3.057 2.417 -3.735 438 HE1 TRP 66 HE1 TRP 66 1.749 0.733 -5.156 439 HE3 TRP 66 HE3 TRP 66 6.502 -1.347 -3.904 440 HZ2 TRP 66 HZ2 TRP 66 2.130 -1.784 -6.224 441 HZ3 TRP 66 HZ3 TRP 66 5.938 -3.375 -5.168 442 HH2 TRP 66 HH2 TRP 66 3.795 -3.596 -6.307 443 H ASN 67 HN ASN 67 8.097 3.841 -3.490 444 HA ASN 67 HA ASN 67 7.003 4.497 -6.120 445 HB2 ASN 67 HB2 ASN 67 7.953 6.118 -3.808 446 HB3 ASN 67 HB1 ASN 67 7.898 6.837 -5.415 447 HD21 ASN 67 HD21 ASN 67 6.042 5.417 -2.851 448 HD22 ASN 67 HD22 ASN 67 4.508 6.011 -3.371 449 H SER 68 HN SER 68 9.701 3.175 -4.992 450 HA SER 68 HA SER 68 11.485 4.586 -6.815 451 HB2 SER 68 HB2 SER 68 12.065 2.260 -4.955 452 HB3 SER 68 HB1 SER 68 13.263 3.147 -5.900 453 HG SER 68 HG SER 68 11.721 4.056 -3.698 454 H ARG 69 HN ARG 69 9.375 2.012 -6.646 455 HA ARG 69 HA ARG 69 10.623 0.623 -8.901 456 HB2 ARG 69 HB2 ARG 69 8.872 -1.190 -7.882 457 HB3 ARG 69 HB1 ARG 69 10.576 -1.106 -7.489 458 HG2 ARG 69 HG2 ARG 69 10.204 -0.116 -5.438 459 HG3 ARG 69 HG1 ARG 69 8.580 0.412 -5.872 460 HD2 ARG 69 HD2 ARG 69 8.611 -1.498 -4.294 461 HD3 ARG 69 HD1 ARG 69 7.778 -1.853 -5.808 462 HE ARG 69 HE ARG 69 10.577 -2.664 -5.381 463 HH11 ARG 69 HH11 ARG 69 7.272 -3.411 -6.230 464 HH12 ARG 69 HH12 ARG 69 7.600 -5.067 -6.641 465 HH21 ARG 69 HH21 ARG 69 11.033 -4.848 -5.930 466 HH22 ARG 69 HH22 ARG 69 9.750 -5.871 -6.493 467 H THR 70 HN THR 70 7.460 0.867 -7.378 468 HA THR 70 HA THR 70 6.110 0.609 -9.945 469 HB THR 70 HB THR 70 4.984 0.789 -7.167 470 HG1 THR 70 HG1 THR 70 4.997 -1.707 -8.280 471 HG21 THR 70 HG21 THR 70 3.074 -0.448 -8.192 472 HG22 THR 70 HG22 THR 70 3.817 -0.175 -9.770 473 HG23 THR 70 HG23 THR 70 3.292 1.196 -8.789 474 H LYS 71 HN LYS 71 5.858 2.615 -7.059 475 HA LYS 71 HA LYS 71 5.160 4.736 -6.683 476 HB2 LYS 71 HB2 LYS 71 5.132 5.128 -9.650 477 HB3 LYS 71 HB1 LYS 71 5.147 6.358 -8.405 478 HG2 LYS 71 HG2 LYS 71 7.370 5.581 -7.687 479 HG3 LYS 71 HG1 LYS 71 7.364 4.428 -9.016 480 HD2 LYS 71 HD2 LYS 71 8.673 6.353 -9.607 481 HD3 LYS 71 HD1 LYS 71 7.212 6.313 -10.600 482 HE2 LYS 71 HE2 LYS 71 6.170 7.965 -9.123 483 HE3 LYS 71 HE1 LYS 71 7.624 7.995 -8.129 484 HZ1 LYS 71 HZ1 LYS 71 7.423 8.831 -10.970 485 HZ2 LYS 71 HZ2 LYS 71 8.855 8.794 -10.072 486 HZ3 LYS 71 HZ3 LYS 71 7.611 9.850 -9.634 487 H MET 72 HN MET 72 3.570 2.362 -7.410 488 HA MET 72 HA MET 72 1.430 1.678 -7.554 489 HB2 MET 72 HB2 MET 72 -0.104 3.157 -6.084 490 HB3 MET 72 HB1 MET 72 1.236 2.289 -5.366 491 HG2 MET 72 HG2 MET 72 1.501 4.285 -4.408 492 HG3 MET 72 HG1 MET 72 2.497 4.524 -5.831 493 HE1 MET 72 HE1 MET 72 1.560 6.941 -4.096 494 HE2 MET 72 HE2 MET 72 0.998 8.076 -5.323 495 HE3 MET 72 HE3 MET 72 2.467 7.140 -5.595 496 H ALA 73 HN ALA 73 -0.957 2.811 -7.430 497 HA ALA 73 HA ALA 73 -1.236 4.523 -9.743 498 HB1 ALA 73 HB1 ALA 73 -2.929 2.111 -9.187 499 HB2 ALA 73 HB2 ALA 73 -1.712 2.230 -10.457 500 HB3 ALA 73 HB3 ALA 73 -3.152 3.244 -10.519 501 H ASN 74 HN ASN 74 -1.155 4.931 -6.991 502 HA ASN 74 HA ASN 74 -2.233 5.696 -5.140 503 HB2 ASN 74 HB2 ASN 74 -2.397 7.538 -6.952 504 HB3 ASN 74 HB1 ASN 74 -4.099 7.101 -7.041 505 HD21 ASN 74 HD21 ASN 74 -1.627 8.632 -5.212 506 HD22 ASN 74 HD22 ASN 74 -2.642 9.281 -3.972 507 H ASP 75 HN ASP 75 -5.095 5.688 -7.220 508 HA ASP 75 HA ASP 75 -6.149 3.343 -5.880 509 HB2 ASP 75 HB2 ASP 75 -6.746 5.481 -4.551 510 HB3 ASP 75 HB1 ASP 75 -7.819 5.853 -5.895 511 H TYR 76 HN TYR 76 -5.286 4.281 -8.627 512 HA TYR 76 HA TYR 76 -7.858 4.232 -10.041 513 HB2 TYR 76 HB2 TYR 76 -5.054 4.706 -11.038 514 HB3 TYR 76 HB1 TYR 76 -6.511 4.782 -12.025 515 HD1 TYR 76 HD1 TYR 76 -8.314 6.490 -11.270 516 HD2 TYR 76 HD2 TYR 76 -4.257 6.638 -10.016 517 HE1 TYR 76 HE1 TYR 76 -8.584 8.852 -10.696 518 HE2 TYR 76 HE2 TYR 76 -4.513 9.001 -9.441 519 HH TYR 76 HH TYR 76 -7.568 10.531 -9.272 Start of MODEL 14 1 H1 GLY 10 HT1 GLY 10 -8.650 6.171 -3.763 2 H2 GLY 10 HT2 GLY 10 -9.110 7.792 -3.584 3 H3 GLY 10 HT3 GLY 10 -10.235 6.649 -4.115 4 HA2 GLY 10 HA1 GLY 10 -8.965 6.680 -1.444 5 HA3 GLY 10 HA2 GLY 10 -10.594 7.237 -1.795 6 H THR 11 HN THR 11 -9.639 5.045 -0.036 7 HA THR 11 HA THR 11 -11.418 2.992 -1.067 8 HB THR 11 HB THR 11 -9.135 1.750 0.195 9 HG1 THR 11 HG1 THR 11 -8.478 2.859 -2.327 10 HG21 THR 11 HG21 THR 11 -9.170 0.431 -1.921 11 HG22 THR 11 HG22 THR 11 -10.449 1.494 -2.502 12 HG23 THR 11 HG23 THR 11 -10.717 0.488 -1.074 13 H TYR 12 HN TYR 12 -10.318 1.249 1.100 14 HA TYR 12 HA TYR 12 -11.341 2.609 3.474 15 HB2 TYR 12 HB2 TYR 12 -12.232 -0.156 2.873 16 HB3 TYR 12 HB1 TYR 12 -12.975 1.044 3.919 17 HD1 TYR 12 HD2 TYR 12 -14.403 2.760 3.008 18 HD2 TYR 12 HD1 TYR 12 -12.649 -0.184 0.519 19 HE1 TYR 12 HE2 TYR 12 -15.963 3.368 1.206 20 HE2 TYR 12 HE1 TYR 12 -14.173 0.397 -1.288 21 HH TYR 12 HH TYR 12 -16.036 3.217 -1.289 22 H ARG 13 HN ARG 13 -11.360 0.567 5.220 23 HA ARG 13 HA ARG 13 -9.262 -1.348 4.749 24 HB2 ARG 13 HB2 ARG 13 -7.889 0.430 5.587 25 HB3 ARG 13 HB1 ARG 13 -9.003 0.732 6.914 26 HG2 ARG 13 HG2 ARG 13 -8.475 -1.441 7.876 27 HG3 ARG 13 HG1 ARG 13 -7.373 -1.775 6.536 28 HD2 ARG 13 HD2 ARG 13 -6.234 -1.004 8.584 29 HD3 ARG 13 HD1 ARG 13 -5.948 0.020 7.182 30 HE ARG 13 HE ARG 13 -7.666 1.542 8.143 31 HH11 ARG 13 HH11 ARG 13 -5.978 -0.690 10.260 32 HH12 ARG 13 HH12 ARG 13 -6.153 0.317 11.658 33 HH21 ARG 13 HH21 ARG 13 -7.895 2.860 9.988 34 HH22 ARG 13 HH22 ARG 13 -7.242 2.332 11.509 35 H GLY 14 HN GLY 14 -9.615 -3.214 5.884 36 HA2 GLY 14 HA2 GLY 14 -10.394 -4.583 7.589 37 HA3 GLY 14 HA1 GLY 14 -11.122 -3.179 8.348 38 H ARG 15 HN ARG 15 -12.616 -2.477 5.887 39 HA ARG 15 HA ARG 15 -14.914 -4.062 6.516 40 HB2 ARG 15 HB2 ARG 15 -16.032 -2.558 4.776 41 HB3 ARG 15 HB1 ARG 15 -15.403 -1.780 6.217 42 HG2 ARG 15 HG2 ARG 15 -14.703 -0.346 4.589 43 HG3 ARG 15 HG1 ARG 15 -13.292 -1.387 4.755 44 HD2 ARG 15 HD2 ARG 15 -13.702 -1.058 2.424 45 HD3 ARG 15 HD1 ARG 15 -14.140 -2.728 2.831 46 HE ARG 15 HE ARG 15 -16.373 -0.936 2.963 47 HH11 ARG 15 HH11 ARG 15 -14.433 -2.899 0.816 48 HH12 ARG 15 HH12 ARG 15 -15.644 -2.978 -0.418 49 HH21 ARG 15 HH21 ARG 15 -17.970 -1.036 1.338 50 HH22 ARG 15 HH22 ARG 15 -17.658 -1.922 -0.122 51 H GLY 16 HN GLY 16 -13.209 -5.853 5.518 52 HA2 GLY 16 HA2 GLY 16 -13.023 -7.511 3.931 53 HA3 GLY 16 HA1 GLY 16 -14.580 -6.966 3.316 54 H VAL 17 HN VAL 17 -11.852 -4.881 3.609 55 HA VAL 17 HA VAL 17 -12.102 -3.714 1.146 56 HB VAL 17 HB VAL 17 -9.515 -3.229 1.408 57 HG11 VAL 17 HG11 VAL 17 -11.623 -2.178 3.275 58 HG12 VAL 17 HG12 VAL 17 -11.403 -1.698 1.589 59 HG13 VAL 17 HG13 VAL 17 -10.138 -1.359 2.781 60 HG21 VAL 17 HG21 VAL 17 -8.981 -3.245 3.876 61 HG22 VAL 17 HG22 VAL 17 -8.973 -4.821 3.081 62 HG23 VAL 17 HG23 VAL 17 -10.344 -4.346 4.088 63 H ALA 18 HN ALA 18 -11.702 -4.133 -0.799 64 HA ALA 18 HA ALA 18 -9.953 -6.396 -1.470 65 HB1 ALA 18 HB1 ALA 18 -11.053 -6.436 -3.648 66 HB2 ALA 18 HB2 ALA 18 -12.026 -5.039 -3.195 67 HB3 ALA 18 HB3 ALA 18 -12.240 -6.571 -2.351 68 H LEU 19 HN LEU 19 -10.275 -3.040 -1.453 69 HA LEU 19 HA LEU 19 -8.891 -1.347 -1.998 70 HB2 LEU 19 HB2 LEU 19 -7.376 -2.892 -0.831 71 HB3 LEU 19 HB1 LEU 19 -6.961 -3.617 -2.337 72 HG LEU 19 HG LEU 19 -5.305 -2.099 -1.287 73 HD11 LEU 19 HD11 LEU 19 -6.251 -1.897 -4.055 74 HD12 LEU 19 HD12 LEU 19 -4.743 -2.542 -3.405 75 HD13 LEU 19 HD13 LEU 19 -4.996 -0.798 -3.502 76 HD21 LEU 19 HD21 LEU 19 -5.552 0.248 -1.494 77 HD22 LEU 19 HD22 LEU 19 -6.886 -0.400 -0.542 78 HD23 LEU 19 HD23 LEU 19 -7.146 0.058 -2.227 79 H THR 20 HN THR 20 -7.625 -0.404 -4.003 80 HA THR 20 HA THR 20 -8.890 -1.030 -6.381 81 HB THR 20 HB THR 20 -7.706 1.077 -6.130 82 HG1 THR 20 HG1 THR 20 -6.237 0.322 -8.238 83 HG21 THR 20 HG21 THR 20 -5.189 -0.573 -6.285 84 HG22 THR 20 HG22 THR 20 -5.745 0.357 -4.893 85 HG23 THR 20 HG23 THR 20 -5.250 1.188 -6.367 86 H ASP 21 HN ASP 21 -7.665 -1.870 -8.410 87 HA ASP 21 HA ASP 21 -7.430 -4.624 -7.788 88 HB2 ASP 21 HB2 ASP 21 -6.904 -3.182 -10.387 89 HB3 ASP 21 HB1 ASP 21 -6.960 -4.932 -10.211 90 H ASP 22 HN ASP 22 -5.012 -2.346 -9.073 91 HA ASP 22 HA ASP 22 -2.926 -4.240 -9.215 92 HB2 ASP 22 HB2 ASP 22 -2.867 -1.229 -9.047 93 HB3 ASP 22 HB1 ASP 22 -1.429 -2.209 -9.300 94 H GLU 23 HN GLU 23 -3.189 -1.531 -6.986 95 HA GLU 23 HA GLU 23 -1.155 -1.990 -5.284 96 HB2 GLU 23 HB2 GLU 23 -3.665 -0.614 -5.121 97 HB3 GLU 23 HB1 GLU 23 -3.228 -1.231 -3.534 98 HG2 GLU 23 HG2 GLU 23 -2.504 1.116 -4.052 99 HG3 GLU 23 HG1 GLU 23 -1.193 0.049 -3.581 100 H TYR 24 HN TYR 24 -4.285 -3.686 -5.017 101 HA TYR 24 HA TYR 24 -3.692 -4.939 -2.533 102 HB2 TYR 24 HB2 TYR 24 -5.968 -4.627 -3.509 103 HB3 TYR 24 HB1 TYR 24 -5.588 -5.850 -4.707 104 HD1 TYR 24 HD2 TYR 24 -5.323 -8.206 -4.036 105 HD2 TYR 24 HD1 TYR 24 -6.657 -5.254 -1.236 106 HE1 TYR 24 HE2 TYR 24 -6.202 -9.977 -2.581 107 HE2 TYR 24 HE1 TYR 24 -7.538 -7.036 0.198 108 HH TYR 24 HH TYR 24 -6.741 -10.277 -0.156 109 H ASP 25 HN ASP 25 -3.644 -6.135 -5.844 110 HA ASP 25 HA ASP 25 -2.394 -8.617 -5.431 111 HB2 ASP 25 HB2 ASP 25 -3.400 -7.620 -7.598 112 HB3 ASP 25 HB1 ASP 25 -1.824 -6.878 -7.836 113 H GLU 26 HN GLU 26 -1.039 -5.418 -5.941 114 HA GLU 26 HA GLU 26 1.683 -6.212 -5.956 115 HB2 GLU 26 HB2 GLU 26 0.435 -3.515 -5.423 116 HB3 GLU 26 HB1 GLU 26 2.134 -3.801 -5.763 117 HG2 GLU 26 HG2 GLU 26 -0.124 -4.424 -7.650 118 HG3 GLU 26 HG1 GLU 26 0.856 -2.964 -7.701 119 H TRP 27 HN TRP 27 -0.590 -5.503 -3.421 120 HA TRP 27 HA TRP 27 1.202 -5.048 -1.297 121 HB2 TRP 27 HB2 TRP 27 -0.945 -4.628 -0.600 122 HB3 TRP 27 HB1 TRP 27 -1.620 -5.951 -1.540 123 HD1 TRP 27 HD1 TRP 27 0.372 -5.470 1.800 124 HE1 TRP 27 HE1 TRP 27 -0.374 -7.331 3.402 125 HE3 TRP 27 HE3 TRP 27 -2.706 -8.097 -1.343 126 HZ2 TRP 27 HZ2 TRP 27 -2.044 -9.576 3.357 127 HZ3 TRP 27 HZ3 TRP 27 -3.835 -10.099 -0.473 128 HH2 TRP 27 HH2 TRP 27 -3.504 -10.830 1.832 129 H ARG 28 HN ARG 28 -0.037 -7.961 -2.781 130 HA ARG 28 HA ARG 28 1.064 -9.826 -1.004 131 HB2 ARG 28 HB2 ARG 28 0.664 -10.153 -3.989 132 HB3 ARG 28 HB1 ARG 28 0.763 -11.444 -2.796 133 HG2 ARG 28 HG2 ARG 28 -1.310 -10.476 -1.738 134 HG3 ARG 28 HG1 ARG 28 -1.421 -9.405 -3.134 135 HD2 ARG 28 HD2 ARG 28 -1.419 -12.419 -3.233 136 HD3 ARG 28 HD1 ARG 28 -2.837 -11.384 -3.393 137 HE ARG 28 HE ARG 28 -1.054 -10.543 -5.326 138 HH11 ARG 28 HH11 ARG 28 -2.771 -13.494 -4.547 139 HH12 ARG 28 HH12 ARG 28 -2.860 -14.025 -6.195 140 HH21 ARG 28 HH21 ARG 28 -1.187 -11.227 -7.495 141 HH22 ARG 28 HH22 ARG 28 -1.954 -12.746 -7.869 142 H GLU 29 HN GLU 29 2.404 -8.169 -3.833 143 HA GLU 29 HA GLU 29 4.972 -9.422 -3.644 144 HB2 GLU 29 HB2 GLU 29 4.184 -8.387 -5.737 145 HB3 GLU 29 HB1 GLU 29 4.215 -6.807 -4.962 146 HG2 GLU 29 HG2 GLU 29 6.605 -6.925 -4.702 147 HG3 GLU 29 HG1 GLU 29 6.624 -8.573 -5.329 148 H HIS 30 HN HIS 30 3.596 -6.403 -2.430 149 HA HIS 30 HA HIS 30 5.794 -5.257 -1.211 150 HB2 HIS 30 HB2 HIS 30 3.650 -4.130 -1.206 151 HB3 HIS 30 HB1 HIS 30 2.936 -5.400 -0.224 152 HD1 HIS 30 HD1 HIS 30 2.278 -4.012 1.773 153 HD2 HIS 30 HD2 HIS 30 6.273 -3.526 0.753 154 HE1 HIS 30 HE1 HIS 30 3.275 -2.613 3.621 155 HE2 HIS 30 HE2 HIS 30 5.683 -2.272 2.941 156 H ASN 31 HN ASN 31 3.728 -7.855 -0.005 157 HA ASN 31 HA ASN 31 4.890 -8.324 2.450 158 HB2 ASN 31 HB2 ASN 31 2.863 -9.463 1.522 159 HB3 ASN 31 HB1 ASN 31 3.929 -10.450 0.527 160 HD21 ASN 31 HD21 ASN 31 5.067 -12.118 1.456 161 HD22 ASN 31 HD22 ASN 31 4.805 -12.636 3.084 162 H ALA 32 HN ALA 32 5.774 -9.715 -0.673 163 HA ALA 32 HA ALA 32 8.028 -11.157 0.200 164 HB1 ALA 32 HB1 ALA 32 7.497 -10.025 -2.533 165 HB2 ALA 32 HB2 ALA 32 6.872 -11.559 -1.918 166 HB3 ALA 32 HB3 ALA 32 8.607 -11.337 -2.131 167 H SER 33 HN SER 33 7.901 -8.060 -1.566 168 HA SER 33 HA SER 33 10.679 -7.745 -1.674 169 HB2 SER 33 HB2 SER 33 9.128 -6.625 -3.212 170 HB3 SER 33 HB1 SER 33 8.547 -5.612 -1.899 171 HG SER 33 HG SER 33 11.240 -5.720 -2.802 172 H ARG 34 HN ARG 34 8.431 -6.800 0.854 173 HA ARG 34 HA ARG 34 10.594 -5.306 2.146 174 HB2 ARG 34 HB2 ARG 34 7.640 -5.324 2.626 175 HB3 ARG 34 HB1 ARG 34 8.775 -4.595 3.755 176 HG2 ARG 34 HG2 ARG 34 8.412 -3.823 0.863 177 HG3 ARG 34 HG1 ARG 34 7.836 -2.922 2.266 178 HD2 ARG 34 HD2 ARG 34 10.700 -3.464 1.496 179 HD3 ARG 34 HD1 ARG 34 9.857 -1.922 1.411 180 HE ARG 34 HE ARG 34 9.669 -2.614 4.036 181 HH11 ARG 34 HH11 ARG 34 12.352 -2.325 1.800 182 HH12 ARG 34 HH12 ARG 34 13.472 -1.801 3.016 183 HH21 ARG 34 HH21 ARG 34 11.150 -1.919 5.643 184 HH22 ARG 34 HH22 ARG 34 12.794 -1.583 5.197 185 H LYS 35 HN LYS 35 9.508 -8.374 2.066 186 HA LYS 35 HA LYS 35 9.991 -10.210 3.281 187 HB2 LYS 35 HB2 LYS 35 12.007 -8.345 4.502 188 HB3 LYS 35 HB1 LYS 35 11.930 -10.054 4.890 189 HG2 LYS 35 HG2 LYS 35 13.613 -9.846 3.269 190 HG3 LYS 35 HG1 LYS 35 12.214 -10.491 2.411 191 HD2 LYS 35 HD2 LYS 35 11.674 -8.146 1.717 192 HD3 LYS 35 HD1 LYS 35 13.213 -7.647 2.414 193 HE2 LYS 35 HE2 LYS 35 12.875 -9.680 0.213 194 HE3 LYS 35 HE1 LYS 35 13.325 -7.993 -0.025 195 HZ1 LYS 35 HZ1 LYS 35 15.277 -9.346 -0.049 196 HZ2 LYS 35 HZ2 LYS 35 14.883 -10.056 1.431 197 HZ3 LYS 35 HZ3 LYS 35 15.301 -8.420 1.363 198 H LEU 36 HN LEU 36 7.937 -8.354 4.224 199 HA LEU 36 HA LEU 36 7.887 -8.998 7.074 200 HB2 LEU 36 HB2 LEU 36 5.772 -7.356 6.786 201 HB3 LEU 36 HB1 LEU 36 7.405 -6.771 7.092 202 HG LEU 36 HG LEU 36 7.692 -6.417 4.655 203 HD11 LEU 36 HD11 LEU 36 6.198 -8.008 3.750 204 HD12 LEU 36 HD12 LEU 36 5.594 -6.413 3.291 205 HD13 LEU 36 HD13 LEU 36 4.829 -7.308 4.610 206 HD21 LEU 36 HD21 LEU 36 6.932 -4.622 6.159 207 HD22 LEU 36 HD22 LEU 36 5.257 -5.048 5.780 208 HD23 LEU 36 HD23 LEU 36 6.339 -4.450 4.507 209 H ASP 37 HN ASP 37 5.274 -9.001 7.582 210 HA ASP 37 HA ASP 37 3.990 -10.912 5.782 211 HB2 ASP 37 HB2 ASP 37 5.254 -12.129 7.620 212 HB3 ASP 37 HB1 ASP 37 4.198 -11.330 8.779 213 H LEU 38 HN LEU 38 3.281 -8.488 5.661 214 HA LEU 38 HA LEU 38 1.524 -7.634 7.788 215 HB2 LEU 38 HB2 LEU 38 1.711 -5.543 6.881 216 HB3 LEU 38 HB1 LEU 38 3.169 -6.244 6.250 217 HG LEU 38 HG LEU 38 0.628 -6.257 4.696 218 HD11 LEU 38 HD11 LEU 38 2.676 -4.079 4.927 219 HD12 LEU 38 HD12 LEU 38 0.951 -3.977 5.297 220 HD13 LEU 38 HD13 LEU 38 1.489 -4.182 3.627 221 HD21 LEU 38 HD21 LEU 38 2.642 -7.667 4.070 222 HD22 LEU 38 HD22 LEU 38 3.479 -6.146 3.752 223 HD23 LEU 38 HD23 LEU 38 2.041 -6.571 2.824 224 H SER 39 HN SER 39 -0.686 -7.260 7.564 225 HA SER 39 HA SER 39 -1.965 -8.842 5.495 226 HB2 SER 39 HB2 SER 39 -3.224 -7.304 7.768 227 HB3 SER 39 HB1 SER 39 -4.027 -8.487 6.740 228 HG SER 39 HG SER 39 -1.723 -9.178 8.217 229 H VAL 40 HN VAL 40 -4.087 -7.690 4.577 230 HA VAL 40 HA VAL 40 -2.920 -5.783 2.851 231 HB VAL 40 HB VAL 40 -5.023 -7.467 2.611 232 HG11 VAL 40 HG11 VAL 40 -6.266 -4.737 2.920 233 HG12 VAL 40 HG12 VAL 40 -6.584 -6.156 3.915 234 HG13 VAL 40 HG13 VAL 40 -7.062 -6.144 2.218 235 HG21 VAL 40 HG21 VAL 40 -5.399 -6.403 0.466 236 HG22 VAL 40 HG22 VAL 40 -3.682 -6.533 0.860 237 HG23 VAL 40 HG23 VAL 40 -4.516 -4.981 1.020 238 H GLU 41 HN GLU 41 -5.182 -5.517 5.509 239 HA GLU 41 HA GLU 41 -6.055 -2.941 5.288 240 HB2 GLU 41 HB2 GLU 41 -5.152 -4.281 7.852 241 HB3 GLU 41 HB1 GLU 41 -6.240 -2.904 7.739 242 HG2 GLU 41 HG2 GLU 41 -7.894 -4.249 6.614 243 HG3 GLU 41 HG1 GLU 41 -6.792 -5.627 6.594 244 H ASP 42 HN ASP 42 -3.105 -3.882 7.098 245 HA ASP 42 HA ASP 42 -2.099 -1.379 7.591 246 HB2 ASP 42 HB2 ASP 42 -0.766 -4.034 7.145 247 HB3 ASP 42 HB1 ASP 42 0.198 -2.587 7.393 248 H PHE 43 HN PHE 43 -1.630 -3.351 4.667 249 HA PHE 43 HA PHE 43 0.133 -1.628 3.332 250 HB2 PHE 43 HB2 PHE 43 -0.217 -3.813 2.421 251 HB3 PHE 43 HB1 PHE 43 -1.946 -3.530 2.259 252 HD1 PHE 43 HD2 PHE 43 -2.746 -1.827 0.546 253 HD2 PHE 43 HD1 PHE 43 1.267 -3.245 0.661 254 HE1 PHE 43 HE2 PHE 43 -2.438 -1.088 -1.751 255 HE2 PHE 43 HE1 PHE 43 1.582 -2.497 -1.665 256 HZ PHE 43 HZ PHE 43 -0.287 -1.423 -2.874 257 H LEU 44 HN LEU 44 -3.355 -1.938 3.147 258 HA LEU 44 HA LEU 44 -3.900 0.097 1.358 259 HB2 LEU 44 HB2 LEU 44 -5.712 -0.555 3.696 260 HB3 LEU 44 HB1 LEU 44 -6.188 -0.039 2.090 261 HG LEU 44 HG LEU 44 -5.439 -2.736 3.067 262 HD11 LEU 44 HD11 LEU 44 -7.223 -3.342 1.419 263 HD12 LEU 44 HD12 LEU 44 -7.485 -1.604 1.192 264 HD13 LEU 44 HD13 LEU 44 -7.737 -2.332 2.778 265 HD21 LEU 44 HD21 LEU 44 -5.333 -3.270 0.492 266 HD22 LEU 44 HD22 LEU 44 -3.902 -2.893 1.446 267 HD23 LEU 44 HD23 LEU 44 -4.648 -1.643 0.443 268 H MET 45 HN MET 45 -3.387 0.261 4.840 269 HA MET 45 HA MET 45 -3.924 3.017 5.154 270 HB2 MET 45 HB2 MET 45 -1.867 1.389 6.655 271 HB3 MET 45 HB1 MET 45 -2.580 2.908 7.177 272 HG2 MET 45 HG2 MET 45 -4.769 1.815 7.291 273 HG3 MET 45 HG1 MET 45 -4.011 0.290 6.831 274 HE1 MET 45 HE1 MET 45 -4.535 2.980 9.570 275 HE2 MET 45 HE2 MET 45 -2.808 3.182 9.273 276 HE3 MET 45 HE3 MET 45 -3.368 2.524 10.810 277 H LEU 46 HN LEU 46 -0.793 1.380 4.838 278 HA LEU 46 HA LEU 46 0.910 3.481 4.577 279 HB2 LEU 46 HB2 LEU 46 1.057 1.039 2.812 280 HB3 LEU 46 HB1 LEU 46 2.388 2.060 3.309 281 HG LEU 46 HG LEU 46 0.835 0.111 4.988 282 HD11 LEU 46 HD11 LEU 46 2.726 -0.659 3.539 283 HD12 LEU 46 HD12 LEU 46 2.870 -1.008 5.258 284 HD13 LEU 46 HD13 LEU 46 3.786 0.320 4.553 285 HD21 LEU 46 HD21 LEU 46 1.949 0.887 6.915 286 HD22 LEU 46 HD22 LEU 46 1.257 2.320 6.143 287 HD23 LEU 46 HD23 LEU 46 2.979 1.964 5.975 288 H ARG 47 HN ARG 47 -0.777 1.948 1.845 289 HA ARG 47 HA ARG 47 0.209 3.787 -0.084 290 HB2 ARG 47 HB2 ARG 47 -1.685 2.880 -1.508 291 HB3 ARG 47 HB1 ARG 47 -0.533 1.697 -0.914 292 HG2 ARG 47 HG2 ARG 47 -2.156 0.562 0.036 293 HG3 ARG 47 HG1 ARG 47 -2.663 1.978 0.950 294 HD2 ARG 47 HD2 ARG 47 -3.545 1.162 -1.799 295 HD3 ARG 47 HD1 ARG 47 -4.507 1.233 -0.319 296 HE ARG 47 HE ARG 47 -3.589 3.788 -0.696 297 HH11 ARG 47 HH11 ARG 47 -5.425 1.526 -2.611 298 HH12 ARG 47 HH12 ARG 47 -6.439 2.740 -3.331 299 HH21 ARG 47 HH21 ARG 47 -4.929 5.407 -1.645 300 HH22 ARG 47 HH22 ARG 47 -6.156 4.939 -2.793 301 H HIS 48 HN HIS 48 -2.847 3.528 1.631 302 HA HIS 48 HA HIS 48 -4.224 5.710 0.777 303 HB2 HIS 48 HB2 HIS 48 -4.035 4.253 3.313 304 HB3 HIS 48 HB1 HIS 48 -4.654 5.896 3.478 305 HD1 HIS 48 HD1 HIS 48 -6.800 4.331 4.257 306 HD2 HIS 48 HD2 HIS 48 -5.840 4.458 0.217 307 HE1 HIS 48 HE1 HIS 48 -8.831 3.471 3.057 308 HE2 HIS 48 HE2 HIS 48 -8.170 3.410 0.625 309 H ARG 49 HN ARG 49 -1.958 5.846 3.559 310 HA ARG 49 HA ARG 49 -2.230 8.616 3.902 311 HB2 ARG 49 HB2 ARG 49 0.254 7.058 4.530 312 HB3 ARG 49 HB1 ARG 49 -0.341 8.512 5.324 313 HG2 ARG 49 HG2 ARG 49 -2.345 7.114 6.021 314 HG3 ARG 49 HG1 ARG 49 -1.398 5.710 5.511 315 HD2 ARG 49 HD2 ARG 49 0.374 7.190 6.964 316 HD3 ARG 49 HD1 ARG 49 -1.128 7.398 7.851 317 HE ARG 49 HE ARG 49 0.117 4.783 7.248 318 HH11 ARG 49 HH11 ARG 49 -1.885 6.802 9.288 319 HH12 ARG 49 HH12 ARG 49 -1.891 5.678 10.607 320 HH21 ARG 49 HH21 ARG 49 0.141 3.321 8.982 321 HH22 ARG 49 HH22 ARG 49 -0.762 3.677 10.425 322 H ALA 50 HN ALA 50 0.193 6.715 2.271 323 HA ALA 50 HA ALA 50 1.944 8.629 1.371 324 HB1 ALA 50 HB1 ALA 50 2.318 6.214 1.162 325 HB2 ALA 50 HB2 ALA 50 2.634 7.070 -0.348 326 HB3 ALA 50 HB3 ALA 50 1.138 6.156 -0.148 327 H ALA 51 HN ALA 51 -0.787 7.321 -0.586 328 HA ALA 51 HA ALA 51 -0.340 9.278 -2.601 329 HB1 ALA 51 HB1 ALA 51 -2.772 7.557 -2.268 330 HB2 ALA 51 HB2 ALA 51 -1.246 6.973 -2.941 331 HB3 ALA 51 HB3 ALA 51 -2.130 8.265 -3.753 332 H LEU 52 HN LEU 52 -2.486 9.126 0.194 333 HA LEU 52 HA LEU 52 -4.254 11.134 -0.874 334 HB2 LEU 52 HB2 LEU 52 -4.060 10.372 2.032 335 HB3 LEU 52 HB1 LEU 52 -5.431 11.052 1.174 336 HG LEU 52 HG LEU 52 -4.341 8.275 0.801 337 HD11 LEU 52 HD11 LEU 52 -6.416 7.561 1.857 338 HD12 LEU 52 HD12 LEU 52 -6.836 9.248 2.163 339 HD13 LEU 52 HD13 LEU 52 -5.416 8.535 2.937 340 HD21 LEU 52 HD21 LEU 52 -6.689 9.668 -0.442 341 HD22 LEU 52 HD22 LEU 52 -6.406 7.922 -0.511 342 HD23 LEU 52 HD23 LEU 52 -5.256 9.038 -1.259 343 H GLY 53 HN GLY 53 -2.512 11.323 2.233 344 HA2 GLY 53 HA2 GLY 53 -0.691 13.292 1.538 345 HA3 GLY 53 HA1 GLY 53 -2.160 14.124 2.018 346 H ALA 54 HN ALA 54 -1.017 11.090 3.404 347 HA ALA 54 HA ALA 54 -0.396 12.533 5.887 348 HB1 ALA 54 HB1 ALA 54 -1.051 10.401 7.048 349 HB2 ALA 54 HB2 ALA 54 -1.709 9.855 5.503 350 HB3 ALA 54 HB3 ALA 54 -2.374 11.285 6.288 351 H ASP 55 HN ASP 55 1.498 11.976 6.931 352 HA ASP 55 HA ASP 55 3.230 10.178 5.381 353 HB2 ASP 55 HB2 ASP 55 3.983 12.858 6.559 354 HB3 ASP 55 HB1 ASP 55 5.105 11.738 5.792 355 H ASP 56 HN ASP 56 1.931 9.200 7.565 356 HA ASP 56 HA ASP 56 3.673 9.134 9.829 357 HB2 ASP 56 HB2 ASP 56 1.174 8.359 9.625 358 HB3 ASP 56 HB1 ASP 56 1.888 6.838 9.099 359 H ASN 57 HN ASN 57 5.403 7.811 10.214 360 HA ASN 57 HA ASN 57 7.035 7.303 8.161 361 HB2 ASN 57 HB2 ASN 57 8.390 5.912 9.649 362 HB3 ASN 57 HB1 ASN 57 7.912 7.441 10.360 363 HD21 ASN 57 HD21 ASN 57 7.676 4.016 10.521 364 HD22 ASN 57 HD22 ASN 57 6.812 3.935 12.011 365 H ASP 58 HN ASP 58 4.809 4.805 9.416 366 HA ASP 58 HA ASP 58 6.087 2.685 8.009 367 HB2 ASP 58 HB2 ASP 58 3.826 1.528 8.164 368 HB3 ASP 58 HB1 ASP 58 4.580 1.972 9.685 369 H ALA 59 HN ALA 59 3.498 4.815 7.248 370 HA ALA 59 HA ALA 59 3.031 3.944 4.602 371 HB1 ALA 59 HB1 ALA 59 1.885 6.060 4.272 372 HB2 ALA 59 HB2 ALA 59 2.553 6.658 5.791 373 HB3 ALA 59 HB3 ALA 59 1.427 5.291 5.794 374 H VAL 60 HN VAL 60 5.408 6.208 5.921 375 HA VAL 60 HA VAL 60 5.974 7.226 3.291 376 HB VAL 60 HB VAL 60 7.521 8.675 4.185 377 HG11 VAL 60 HG11 VAL 60 6.578 9.580 6.272 378 HG12 VAL 60 HG12 VAL 60 5.578 8.131 6.404 379 HG13 VAL 60 HG13 VAL 60 5.365 9.228 5.039 380 HG21 VAL 60 HG21 VAL 60 7.933 6.780 6.466 381 HG22 VAL 60 HG22 VAL 60 8.623 8.402 6.386 382 HG23 VAL 60 HG23 VAL 60 9.062 7.196 5.175 383 H LYS 61 HN LYS 61 7.418 4.873 5.516 384 HA LYS 61 HA LYS 61 9.624 4.278 3.834 385 HB2 LYS 61 HB2 LYS 61 8.265 2.679 6.003 386 HB3 LYS 61 HB1 LYS 61 9.842 2.311 5.304 387 HG2 LYS 61 HG2 LYS 61 10.865 4.109 6.309 388 HG3 LYS 61 HG1 LYS 61 9.358 5.025 6.433 389 HD2 LYS 61 HD2 LYS 61 10.298 4.136 8.604 390 HD3 LYS 61 HD1 LYS 61 8.614 3.726 8.265 391 HE2 LYS 61 HE2 LYS 61 9.675 1.764 9.067 392 HE3 LYS 61 HE1 LYS 61 9.413 1.576 7.334 393 HZ1 LYS 61 HZ1 LYS 61 11.738 2.198 6.976 394 HZ2 LYS 61 HZ2 LYS 61 11.607 0.815 7.936 395 HZ3 LYS 61 HZ3 LYS 61 11.978 2.305 8.648 396 H PHE 62 HN PHE 62 6.299 3.358 3.883 397 HA PHE 62 HA PHE 62 6.490 1.266 1.961 398 HB2 PHE 62 HB2 PHE 62 4.452 1.570 3.287 399 HB3 PHE 62 HB1 PHE 62 4.222 3.173 2.600 400 HD1 PHE 62 HD2 PHE 62 4.194 -0.425 1.875 401 HD2 PHE 62 HD1 PHE 62 3.185 3.465 0.468 402 HE1 PHE 62 HE2 PHE 62 2.885 -1.422 0.047 403 HE2 PHE 62 HE1 PHE 62 1.871 2.473 -1.352 404 HZ PHE 62 HZ PHE 62 1.721 0.027 -1.567 405 H ARG 63 HN ARG 63 5.483 4.666 1.746 406 HA ARG 63 HA ARG 63 5.343 5.049 -0.921 407 HB2 ARG 63 HB2 ARG 63 4.742 6.719 0.703 408 HB3 ARG 63 HB1 ARG 63 6.396 6.852 1.255 409 HG2 ARG 63 HG2 ARG 63 5.686 7.537 -1.562 410 HG3 ARG 63 HG1 ARG 63 5.404 8.688 -0.254 411 HD2 ARG 63 HD2 ARG 63 7.827 8.394 0.382 412 HD3 ARG 63 HD1 ARG 63 8.020 7.463 -1.101 413 HE ARG 63 HE ARG 63 7.013 9.610 -2.143 414 HH11 ARG 63 HH11 ARG 63 9.380 9.438 0.430 415 HH12 ARG 63 HH12 ARG 63 10.121 10.948 0.015 416 HH21 ARG 63 HH21 ARG 63 7.974 11.603 -2.682 417 HH22 ARG 63 HH22 ARG 63 9.316 12.187 -1.749 418 H SER 64 HN SER 64 8.270 5.901 0.906 419 HA SER 64 HA SER 64 10.003 6.349 -1.074 420 HB2 SER 64 HB2 SER 64 11.794 5.352 0.488 421 HB3 SER 64 HB1 SER 64 10.790 6.665 1.104 422 HG SER 64 HG SER 64 9.580 5.196 2.250 423 H TRP 65 HN TRP 65 9.605 3.072 0.313 424 HA TRP 65 HA TRP 65 11.256 1.774 -1.537 425 HB2 TRP 65 HB2 TRP 65 10.862 0.523 0.361 426 HB3 TRP 65 HB1 TRP 65 9.143 0.890 0.372 427 HD1 TRP 65 HD1 TRP 65 11.658 -1.498 -1.308 428 HE1 TRP 65 HE1 TRP 65 10.344 -3.518 -2.245 429 HE3 TRP 65 HE3 TRP 65 6.988 0.184 -0.418 430 HZ2 TRP 65 HZ2 TRP 65 7.629 -4.242 -2.583 431 HZ3 TRP 65 HZ3 TRP 65 5.066 -1.212 -1.065 432 HH2 TRP 65 HH2 TRP 65 5.382 -3.393 -2.112 433 H TRP 66 HN TRP 66 7.741 2.158 -1.536 434 HA TRP 66 HA TRP 66 7.356 0.534 -3.841 435 HB2 TRP 66 HB2 TRP 66 5.716 0.970 -1.949 436 HB3 TRP 66 HB1 TRP 66 5.411 2.533 -2.689 437 HD1 TRP 66 HD1 TRP 66 3.117 2.380 -3.766 438 HE1 TRP 66 HE1 TRP 66 1.863 0.718 -5.258 439 HE3 TRP 66 HE3 TRP 66 6.597 -1.354 -3.924 440 HZ2 TRP 66 HZ2 TRP 66 2.285 -1.783 -6.359 441 HZ3 TRP 66 HZ3 TRP 66 6.082 -3.368 -5.235 442 HH2 TRP 66 HH2 TRP 66 3.966 -3.585 -6.431 443 H ASN 67 HN ASN 67 8.051 3.899 -3.386 444 HA ASN 67 HA ASN 67 7.007 4.596 -6.021 445 HB2 ASN 67 HB2 ASN 67 7.888 6.155 -3.649 446 HB3 ASN 67 HB1 ASN 67 7.935 6.922 -5.233 447 HD21 ASN 67 HD21 ASN 67 5.910 5.472 -2.817 448 HD22 ASN 67 HD22 ASN 67 4.421 6.124 -3.395 449 H SER 68 HN SER 68 9.718 3.276 -4.897 450 HA SER 68 HA SER 68 11.467 4.725 -6.712 451 HB2 SER 68 HB2 SER 68 12.072 2.425 -4.837 452 HB3 SER 68 HB1 SER 68 13.263 3.265 -5.832 453 HG SER 68 HG SER 68 11.798 4.245 -3.613 454 H ARG 69 HN ARG 69 9.348 2.177 -6.645 455 HA ARG 69 HA ARG 69 10.676 0.795 -8.850 456 HB2 ARG 69 HB2 ARG 69 8.990 -1.092 -7.882 457 HB3 ARG 69 HB1 ARG 69 10.680 -0.943 -7.450 458 HG2 ARG 69 HG2 ARG 69 10.219 0.010 -5.394 459 HG3 ARG 69 HG1 ARG 69 8.570 0.436 -5.844 460 HD2 ARG 69 HD2 ARG 69 8.680 -1.498 -4.307 461 HD3 ARG 69 HD1 ARG 69 7.937 -1.900 -5.855 462 HE ARG 69 HE ARG 69 10.773 -2.491 -5.326 463 HH11 ARG 69 HH11 ARG 69 7.569 -3.535 -6.296 464 HH12 ARG 69 HH12 ARG 69 8.079 -5.133 -6.747 465 HH21 ARG 69 HH21 ARG 69 11.452 -4.587 -5.933 466 HH22 ARG 69 HH22 ARG 69 10.291 -5.721 -6.545 467 H THR 70 HN THR 70 7.500 0.923 -7.354 468 HA THR 70 HA THR 70 6.159 0.731 -9.929 469 HB THR 70 HB THR 70 5.023 0.874 -7.154 470 HG1 THR 70 HG1 THR 70 5.458 -1.509 -8.646 471 HG21 THR 70 HG21 THR 70 3.118 -0.342 -8.199 472 HG22 THR 70 HG22 THR 70 3.875 -0.078 -9.772 473 HG23 THR 70 HG23 THR 70 3.349 1.299 -8.799 474 H LYS 71 HN LYS 71 5.899 2.684 -7.011 475 HA LYS 71 HA LYS 71 5.203 4.794 -6.589 476 HB2 LYS 71 HB2 LYS 71 5.153 5.243 -9.548 477 HB3 LYS 71 HB1 LYS 71 5.134 6.449 -8.281 478 HG2 LYS 71 HG2 LYS 71 7.369 5.645 -7.557 479 HG3 LYS 71 HG1 LYS 71 7.393 4.609 -8.980 480 HD2 LYS 71 HD2 LYS 71 8.656 6.614 -9.401 481 HD3 LYS 71 HD1 LYS 71 7.195 6.619 -10.399 482 HE2 LYS 71 HE2 LYS 71 6.106 8.106 -8.784 483 HE3 LYS 71 HE1 LYS 71 7.558 8.088 -7.788 484 HZ1 LYS 71 HZ1 LYS 71 7.380 9.130 -10.562 485 HZ2 LYS 71 HZ2 LYS 71 8.769 9.125 -9.595 486 HZ3 LYS 71 HZ3 LYS 71 7.437 10.069 -9.155 487 H MET 72 HN MET 72 3.590 2.431 -7.373 488 HA MET 72 HA MET 72 1.438 1.771 -7.519 489 HB2 MET 72 HB2 MET 72 -0.048 3.048 -5.917 490 HB3 MET 72 HB1 MET 72 1.433 2.371 -5.273 491 HG2 MET 72 HG2 MET 72 1.561 4.385 -4.350 492 HG3 MET 72 HG1 MET 72 2.341 4.770 -5.876 493 HE1 MET 72 HE1 MET 72 1.252 7.032 -4.023 494 HE2 MET 72 HE2 MET 72 0.385 8.058 -5.164 495 HE3 MET 72 HE3 MET 72 1.936 7.353 -5.616 496 H ALA 73 HN ALA 73 -0.956 3.071 -7.275 497 HA ALA 73 HA ALA 73 -1.229 4.979 -9.384 498 HB1 ALA 73 HB1 ALA 73 -2.836 3.634 -10.658 499 HB2 ALA 73 HB2 ALA 73 -2.457 2.257 -9.624 500 HB3 ALA 73 HB3 ALA 73 -1.218 2.941 -10.674 501 H ASN 74 HN ASN 74 -1.579 5.049 -6.689 502 HA ASN 74 HA ASN 74 -3.040 5.331 -4.951 503 HB2 ASN 74 HB2 ASN 74 -3.167 7.426 -6.329 504 HB3 ASN 74 HB1 ASN 74 -4.631 6.790 -7.068 505 HD21 ASN 74 HD21 ASN 74 -3.707 6.385 -3.715 506 HD22 ASN 74 HD22 ASN 74 -4.948 7.375 -3.042 507 H ASP 75 HN ASP 75 -5.699 5.469 -7.229 508 HA ASP 75 HA ASP 75 -6.544 2.772 -6.489 509 HB2 ASP 75 HB2 ASP 75 -8.203 5.275 -6.181 510 HB3 ASP 75 HB1 ASP 75 -8.924 3.675 -6.297 511 H TYR 76 HN TYR 76 -5.345 3.921 -8.900 512 HA TYR 76 HA TYR 76 -7.620 3.832 -10.765 513 HB2 TYR 76 HB2 TYR 76 -4.783 4.749 -11.186 514 HB3 TYR 76 HB1 TYR 76 -6.096 4.873 -12.357 515 HD1 TYR 76 HD1 TYR 76 -8.156 6.278 -11.630 516 HD2 TYR 76 HD2 TYR 76 -4.371 6.502 -9.710 517 HE1 TYR 76 HE1 TYR 76 -8.767 8.455 -10.690 518 HE2 TYR 76 HE2 TYR 76 -4.969 8.674 -8.765 519 HH TYR 76 HH TYR 76 -8.115 9.862 -8.715 Start of MODEL 15 1 H1 GLY 10 HT1 GLY 10 -9.643 7.363 -2.463 2 H2 GLY 10 HT2 GLY 10 -8.423 6.465 -3.224 3 H3 GLY 10 HT3 GLY 10 -8.029 7.852 -2.332 4 HA2 GLY 10 HA1 GLY 10 -7.502 5.824 -1.106 5 HA3 GLY 10 HA2 GLY 10 -8.707 6.810 -0.289 6 H THR 11 HN THR 11 -7.972 3.711 -0.956 7 HA THR 11 HA THR 11 -10.749 2.914 -1.441 8 HB THR 11 HB THR 11 -8.402 1.053 -1.417 9 HG1 THR 11 HG1 THR 11 -9.223 2.879 -3.407 10 HG21 THR 11 HG21 THR 11 -10.558 0.025 -1.296 11 HG22 THR 11 HG22 THR 11 -9.889 -0.241 -2.912 12 HG23 THR 11 HG23 THR 11 -11.138 0.982 -2.660 13 H TYR 12 HN TYR 12 -10.743 3.755 1.028 14 HA TYR 12 HA TYR 12 -11.374 3.154 3.135 15 HB2 TYR 12 HB2 TYR 12 -11.922 0.379 2.279 16 HB3 TYR 12 HB1 TYR 12 -12.902 1.470 3.244 17 HD1 TYR 12 HD2 TYR 12 -14.078 3.398 2.018 18 HD2 TYR 12 HD1 TYR 12 -12.341 0.069 0.044 19 HE1 TYR 12 HE2 TYR 12 -15.429 3.881 0.024 20 HE2 TYR 12 HE1 TYR 12 -13.668 0.526 -1.942 21 HH TYR 12 HH TYR 12 -15.689 1.668 -2.601 22 H ARG 13 HN ARG 13 -11.343 0.969 4.680 23 HA ARG 13 HA ARG 13 -9.181 -0.823 4.304 24 HB2 ARG 13 HB2 ARG 13 -8.023 1.297 5.183 25 HB3 ARG 13 HB1 ARG 13 -8.839 0.956 6.705 26 HG2 ARG 13 HG2 ARG 13 -7.718 -1.460 6.193 27 HG3 ARG 13 HG1 ARG 13 -6.549 -0.372 5.449 28 HD2 ARG 13 HD2 ARG 13 -5.904 -0.751 7.681 29 HD3 ARG 13 HD1 ARG 13 -6.502 0.902 7.554 30 HE ARG 13 HE ARG 13 -8.596 -0.807 8.364 31 HH11 ARG 13 HH11 ARG 13 -5.649 0.627 9.590 32 HH12 ARG 13 HH12 ARG 13 -6.186 0.622 11.241 33 HH21 ARG 13 HH21 ARG 13 -9.299 -0.820 10.551 34 HH22 ARG 13 HH22 ARG 13 -8.243 -0.202 11.785 35 H GLY 14 HN GLY 14 -9.604 -2.665 5.419 36 HA2 GLY 14 HA2 GLY 14 -10.328 -4.004 7.167 37 HA3 GLY 14 HA1 GLY 14 -10.905 -2.567 7.988 38 H ARG 15 HN ARG 15 -12.518 -1.790 5.597 39 HA ARG 15 HA ARG 15 -14.852 -3.257 6.380 40 HB2 ARG 15 HB2 ARG 15 -16.026 -1.682 4.772 41 HB3 ARG 15 HB1 ARG 15 -15.208 -0.935 6.133 42 HG2 ARG 15 HG2 ARG 15 -14.470 0.455 4.528 43 HG3 ARG 15 HG1 ARG 15 -13.236 -0.790 4.344 44 HD2 ARG 15 HD2 ARG 15 -14.032 -0.199 2.169 45 HD3 ARG 15 HD1 ARG 15 -14.639 -1.821 2.557 46 HE ARG 15 HE ARG 15 -16.343 0.553 2.963 47 HH11 ARG 15 HH11 ARG 15 -15.792 -2.569 1.473 48 HH12 ARG 15 HH12 ARG 15 -17.373 -2.649 0.764 49 HH21 ARG 15 HH21 ARG 15 -18.426 0.439 2.037 50 HH22 ARG 15 HH22 ARG 15 -18.873 -0.946 1.095 51 H GLY 16 HN GLY 16 -13.383 -5.143 5.347 52 HA2 GLY 16 HA2 GLY 16 -13.482 -6.863 3.812 53 HA3 GLY 16 HA1 GLY 16 -14.919 -6.085 3.151 54 H VAL 17 HN VAL 17 -11.891 -4.438 3.463 55 HA VAL 17 HA VAL 17 -12.033 -3.396 0.899 56 HB VAL 17 HB VAL 17 -9.497 -2.917 1.181 57 HG11 VAL 17 HG11 VAL 17 -11.386 -1.374 1.399 58 HG12 VAL 17 HG12 VAL 17 -10.069 -1.011 2.522 59 HG13 VAL 17 HG13 VAL 17 -11.531 -1.810 3.105 60 HG21 VAL 17 HG21 VAL 17 -8.940 -4.502 2.861 61 HG22 VAL 17 HG22 VAL 17 -10.264 -3.971 3.902 62 HG23 VAL 17 HG23 VAL 17 -8.884 -2.910 3.626 63 H ALA 18 HN ALA 18 -11.576 -3.957 -0.949 64 HA ALA 18 HA ALA 18 -9.829 -6.272 -1.421 65 HB1 ALA 18 HB1 ALA 18 -11.910 -5.065 -3.253 66 HB2 ALA 18 HB2 ALA 18 -12.091 -6.556 -2.330 67 HB3 ALA 18 HB3 ALA 18 -10.894 -6.459 -3.622 68 H LEU 19 HN LEU 19 -10.083 -2.961 -1.458 69 HA LEU 19 HA LEU 19 -8.699 -1.283 -2.069 70 HB2 LEU 19 HB2 LEU 19 -7.152 -2.839 -1.017 71 HB3 LEU 19 HB1 LEU 19 -6.859 -3.594 -2.525 72 HG LEU 19 HG LEU 19 -5.089 -2.117 -1.592 73 HD11 LEU 19 HD11 LEU 19 -4.526 -2.482 -3.678 74 HD12 LEU 19 HD12 LEU 19 -5.028 -0.798 -3.896 75 HD13 LEU 19 HD13 LEU 19 -6.136 -2.110 -4.289 76 HD21 LEU 19 HD21 LEU 19 -5.259 0.252 -1.899 77 HD22 LEU 19 HD22 LEU 19 -6.491 -0.327 -0.778 78 HD23 LEU 19 HD23 LEU 19 -6.930 0.079 -2.438 79 H THR 20 HN THR 20 -7.486 -0.391 -4.143 80 HA THR 20 HA THR 20 -8.935 -0.981 -6.447 81 HB THR 20 HB THR 20 -7.807 1.134 -6.289 82 HG1 THR 20 HG1 THR 20 -8.014 0.763 -8.384 83 HG21 THR 20 HG21 THR 20 -5.840 0.498 -5.031 84 HG22 THR 20 HG22 THR 20 -5.375 1.345 -6.505 85 HG23 THR 20 HG23 THR 20 -5.226 -0.415 -6.409 86 H ASP 21 HN ASP 21 -7.600 -1.681 -8.573 87 HA ASP 21 HA ASP 21 -7.654 -4.470 -8.140 88 HB2 ASP 21 HB2 ASP 21 -8.454 -3.498 -10.211 89 HB3 ASP 21 HB1 ASP 21 -6.842 -2.899 -10.585 90 H ASP 22 HN ASP 22 -4.919 -2.407 -9.168 91 HA ASP 22 HA ASP 22 -3.200 -4.688 -9.373 92 HB2 ASP 22 HB2 ASP 22 -3.093 -2.492 -10.712 93 HB3 ASP 22 HB1 ASP 22 -2.264 -1.832 -9.308 94 H GLU 23 HN GLU 23 -3.107 -1.838 -7.283 95 HA GLU 23 HA GLU 23 -1.007 -2.346 -5.680 96 HB2 GLU 23 HB2 GLU 23 -3.611 -1.292 -4.642 97 HB3 GLU 23 HB1 GLU 23 -2.019 -1.076 -3.923 98 HG2 GLU 23 HG2 GLU 23 -2.841 -0.050 -6.623 99 HG3 GLU 23 HG1 GLU 23 -2.697 0.883 -5.145 100 H TYR 24 HN TYR 24 -4.204 -3.849 -5.231 101 HA TYR 24 HA TYR 24 -3.657 -4.960 -2.693 102 HB2 TYR 24 HB2 TYR 24 -5.919 -4.695 -3.665 103 HB3 TYR 24 HB1 TYR 24 -5.552 -5.961 -4.829 104 HD1 TYR 24 HD2 TYR 24 -5.204 -8.297 -4.049 105 HD2 TYR 24 HD1 TYR 24 -6.660 -5.266 -1.398 106 HE1 TYR 24 HE2 TYR 24 -6.018 -10.030 -2.514 107 HE2 TYR 24 HE1 TYR 24 -7.480 -7.013 0.117 108 HH TYR 24 HH TYR 24 -6.639 -10.339 -0.250 109 H ASP 25 HN ASP 25 -3.813 -6.629 -5.820 110 HA ASP 25 HA ASP 25 -2.432 -8.928 -5.235 111 HB2 ASP 25 HB2 ASP 25 -2.841 -7.361 -7.681 112 HB3 ASP 25 HB1 ASP 25 -1.372 -8.333 -7.705 113 H GLU 26 HN GLU 26 -1.071 -5.764 -5.947 114 HA GLU 26 HA GLU 26 1.634 -6.632 -5.865 115 HB2 GLU 26 HB2 GLU 26 0.360 -3.915 -5.748 116 HB3 GLU 26 HB1 GLU 26 2.098 -4.161 -5.740 117 HG2 GLU 26 HG2 GLU 26 0.180 -4.990 -7.902 118 HG3 GLU 26 HG1 GLU 26 1.340 -3.665 -7.975 119 H TRP 27 HN TRP 27 -0.624 -5.762 -3.401 120 HA TRP 27 HA TRP 27 1.209 -5.187 -1.330 121 HB2 TRP 27 HB2 TRP 27 -0.888 -4.691 -0.588 122 HB3 TRP 27 HB1 TRP 27 -1.633 -5.987 -1.513 123 HD1 TRP 27 HD1 TRP 27 0.333 -5.523 1.835 124 HE1 TRP 27 HE1 TRP 27 -0.481 -7.341 3.453 125 HE3 TRP 27 HE3 TRP 27 -2.741 -8.142 -1.320 126 HZ2 TRP 27 HZ2 TRP 27 -2.197 -9.548 3.413 127 HZ3 TRP 27 HZ3 TRP 27 -3.932 -10.102 -0.435 128 HH2 TRP 27 HH2 TRP 27 -3.658 -10.796 1.888 129 H ARG 28 HN ARG 28 -0.035 -8.152 -2.703 130 HA ARG 28 HA ARG 28 1.103 -9.903 -0.801 131 HB2 ARG 28 HB2 ARG 28 0.521 -10.451 -3.723 132 HB3 ARG 28 HB1 ARG 28 0.746 -11.657 -2.461 133 HG2 ARG 28 HG2 ARG 28 -1.246 -10.497 -1.299 134 HG3 ARG 28 HG1 ARG 28 -1.540 -9.774 -2.877 135 HD2 ARG 28 HD2 ARG 28 -1.241 -12.738 -2.516 136 HD3 ARG 28 HD1 ARG 28 -2.790 -11.922 -2.327 137 HE ARG 28 HE ARG 28 -1.973 -11.078 -4.750 138 HH11 ARG 28 HH11 ARG 28 -2.141 -14.274 -3.332 139 HH12 ARG 28 HH12 ARG 28 -2.570 -15.050 -4.824 140 HH21 ARG 28 HH21 ARG 28 -2.573 -12.084 -6.710 141 HH22 ARG 28 HH22 ARG 28 -2.811 -13.811 -6.744 142 H GLU 29 HN GLU 29 2.356 -8.335 -3.709 143 HA GLU 29 HA GLU 29 4.928 -9.603 -3.475 144 HB2 GLU 29 HB2 GLU 29 4.163 -8.659 -5.633 145 HB3 GLU 29 HB1 GLU 29 4.244 -7.044 -4.933 146 HG2 GLU 29 HG2 GLU 29 6.590 -7.138 -4.715 147 HG3 GLU 29 HG1 GLU 29 6.620 -8.875 -5.023 148 H HIS 30 HN HIS 30 3.531 -6.549 -2.374 149 HA HIS 30 HA HIS 30 5.734 -5.378 -1.179 150 HB2 HIS 30 HB2 HIS 30 3.570 -4.268 -1.200 151 HB3 HIS 30 HB1 HIS 30 2.887 -5.504 -0.157 152 HD1 HIS 30 HD1 HIS 30 2.259 -4.027 1.795 153 HD2 HIS 30 HD2 HIS 30 6.234 -3.602 0.682 154 HE1 HIS 30 HE1 HIS 30 3.291 -2.545 3.556 155 HE2 HIS 30 HE2 HIS 30 5.653 -2.164 2.751 156 H ASN 31 HN ASN 31 3.664 -7.956 0.049 157 HA ASN 31 HA ASN 31 4.802 -8.529 2.489 158 HB2 ASN 31 HB2 ASN 31 2.847 -9.705 1.533 159 HB3 ASN 31 HB1 ASN 31 3.899 -10.501 0.370 160 HD21 ASN 31 HD21 ASN 31 2.610 -10.550 3.515 161 HD22 ASN 31 HD22 ASN 31 3.422 -11.972 4.080 162 H ALA 32 HN ALA 32 5.750 -9.795 -0.662 163 HA ALA 32 HA ALA 32 8.039 -11.195 0.199 164 HB1 ALA 32 HB1 ALA 32 7.479 -10.097 -2.541 165 HB2 ALA 32 HB2 ALA 32 6.828 -11.611 -1.904 166 HB3 ALA 32 HB3 ALA 32 8.565 -11.423 -2.126 167 H SER 33 HN SER 33 7.842 -8.126 -1.621 168 HA SER 33 HA SER 33 10.603 -7.771 -1.787 169 HB2 SER 33 HB2 SER 33 9.023 -6.672 -3.299 170 HB3 SER 33 HB1 SER 33 8.429 -5.666 -1.986 171 HG SER 33 HG SER 33 11.114 -5.485 -2.159 172 H ARG 34 HN ARG 34 8.386 -6.743 0.749 173 HA ARG 34 HA ARG 34 10.541 -5.205 1.984 174 HB2 ARG 34 HB2 ARG 34 7.605 -5.340 2.498 175 HB3 ARG 34 HB1 ARG 34 8.710 -4.615 3.660 176 HG2 ARG 34 HG2 ARG 34 8.335 -3.758 0.795 177 HG3 ARG 34 HG1 ARG 34 7.732 -2.921 2.226 178 HD2 ARG 34 HD2 ARG 34 10.590 -3.311 1.366 179 HD3 ARG 34 HD1 ARG 34 9.703 -1.798 1.525 180 HE ARG 34 HE ARG 34 9.683 -2.959 4.034 181 HH11 ARG 34 HH11 ARG 34 12.078 -1.785 1.775 182 HH12 ARG 34 HH12 ARG 34 13.227 -1.375 3.003 183 HH21 ARG 34 HH21 ARG 34 11.194 -2.423 5.659 184 HH22 ARG 34 HH22 ARG 34 12.723 -1.737 5.214 185 H LYS 35 HN LYS 35 9.554 -8.312 1.969 186 HA LYS 35 HA LYS 35 10.099 -10.119 3.203 187 HB2 LYS 35 HB2 LYS 35 12.025 -8.129 4.333 188 HB3 LYS 35 HB1 LYS 35 11.936 -9.755 4.985 189 HG2 LYS 35 HG2 LYS 35 13.708 -9.682 3.397 190 HG3 LYS 35 HG1 LYS 35 12.393 -10.629 2.702 191 HD2 LYS 35 HD2 LYS 35 11.688 -8.684 1.395 192 HD3 LYS 35 HD1 LYS 35 12.999 -7.734 2.098 193 HE2 LYS 35 HE2 LYS 35 13.344 -10.224 0.430 194 HE3 LYS 35 HE1 LYS 35 13.543 -8.573 -0.152 195 HZ1 LYS 35 HZ1 LYS 35 15.164 -9.895 1.957 196 HZ2 LYS 35 HZ2 LYS 35 15.333 -8.284 1.472 197 HZ3 LYS 35 HZ3 LYS 35 15.671 -9.532 0.385 198 H LEU 36 HN LEU 36 8.026 -8.150 4.123 199 HA LEU 36 HA LEU 36 7.841 -8.935 6.932 200 HB2 LEU 36 HB2 LEU 36 5.729 -7.297 6.621 201 HB3 LEU 36 HB1 LEU 36 7.346 -6.702 6.984 202 HG LEU 36 HG LEU 36 7.685 -6.308 4.550 203 HD11 LEU 36 HD11 LEU 36 5.618 -6.241 3.154 204 HD12 LEU 36 HD12 LEU 36 4.805 -7.144 4.436 205 HD13 LEU 36 HD13 LEU 36 6.178 -7.854 3.589 206 HD21 LEU 36 HD21 LEU 36 6.353 -4.318 4.433 207 HD22 LEU 36 HD22 LEU 36 6.950 -4.531 6.080 208 HD23 LEU 36 HD23 LEU 36 5.267 -4.924 5.695 209 H ASP 37 HN ASP 37 5.159 -8.927 7.257 210 HA ASP 37 HA ASP 37 3.944 -10.619 5.241 211 HB2 ASP 37 HB2 ASP 37 5.154 -12.152 6.873 212 HB3 ASP 37 HB1 ASP 37 4.039 -11.578 8.109 213 H LEU 38 HN LEU 38 3.417 -8.144 5.660 214 HA LEU 38 HA LEU 38 1.589 -7.511 7.731 215 HB2 LEU 38 HB2 LEU 38 1.737 -5.387 6.895 216 HB3 LEU 38 HB1 LEU 38 3.179 -6.061 6.194 217 HG LEU 38 HG LEU 38 0.590 -6.036 4.727 218 HD11 LEU 38 HD11 LEU 38 1.416 -3.924 3.688 219 HD12 LEU 38 HD12 LEU 38 2.643 -3.858 4.957 220 HD13 LEU 38 HD13 LEU 38 0.931 -3.770 5.376 221 HD21 LEU 38 HD21 LEU 38 2.512 -7.433 3.934 222 HD22 LEU 38 HD22 LEU 38 3.435 -5.941 3.740 223 HD23 LEU 38 HD23 LEU 38 1.980 -6.209 2.782 224 H SER 39 HN SER 39 -0.658 -7.070 7.534 225 HA SER 39 HA SER 39 -2.007 -8.688 5.549 226 HB2 SER 39 HB2 SER 39 -3.267 -6.956 7.669 227 HB3 SER 39 HB1 SER 39 -3.998 -8.315 6.827 228 HG SER 39 HG SER 39 -1.862 -9.312 7.898 229 H VAL 40 HN VAL 40 -4.081 -7.589 4.532 230 HA VAL 40 HA VAL 40 -2.948 -5.709 2.766 231 HB VAL 40 HB VAL 40 -5.049 -7.405 2.556 232 HG11 VAL 40 HG11 VAL 40 -6.292 -4.658 2.731 233 HG12 VAL 40 HG12 VAL 40 -6.624 -6.021 3.798 234 HG13 VAL 40 HG13 VAL 40 -7.083 -6.101 2.096 235 HG21 VAL 40 HG21 VAL 40 -3.662 -6.498 0.810 236 HG22 VAL 40 HG22 VAL 40 -4.543 -4.965 0.895 237 HG23 VAL 40 HG23 VAL 40 -5.370 -6.432 0.373 238 H GLU 41 HN GLU 41 -5.344 -5.358 5.317 239 HA GLU 41 HA GLU 41 -6.054 -2.735 4.994 240 HB2 GLU 41 HB2 GLU 41 -5.425 -3.999 7.672 241 HB3 GLU 41 HB1 GLU 41 -6.443 -2.590 7.393 242 HG2 GLU 41 HG2 GLU 41 -8.076 -3.915 6.256 243 HG3 GLU 41 HG1 GLU 41 -7.038 -5.337 6.345 244 H ASP 42 HN ASP 42 -3.253 -3.879 6.884 245 HA ASP 42 HA ASP 42 -2.105 -1.471 7.497 246 HB2 ASP 42 HB2 ASP 42 -0.722 -4.061 6.758 247 HB3 ASP 42 HB1 ASP 42 0.051 -2.705 7.563 248 H PHE 43 HN PHE 43 -1.679 -3.367 4.506 249 HA PHE 43 HA PHE 43 0.181 -1.667 3.255 250 HB2 PHE 43 HB2 PHE 43 -0.229 -3.838 2.305 251 HB3 PHE 43 HB1 PHE 43 -1.929 -3.473 2.067 252 HD1 PHE 43 HD2 PHE 43 -2.558 -1.718 0.321 253 HD2 PHE 43 HD1 PHE 43 1.367 -3.329 0.643 254 HE1 PHE 43 HE2 PHE 43 -2.083 -0.976 -1.955 255 HE2 PHE 43 HE1 PHE 43 1.853 -2.585 -1.650 256 HZ PHE 43 HZ PHE 43 0.127 -1.407 -2.953 257 H LEU 44 HN LEU 44 -3.308 -1.883 2.976 258 HA LEU 44 HA LEU 44 -3.722 0.209 1.209 259 HB2 LEU 44 HB2 LEU 44 -5.667 -0.437 3.434 260 HB3 LEU 44 HB1 LEU 44 -6.036 0.101 1.805 261 HG LEU 44 HG LEU 44 -5.403 -2.625 2.805 262 HD11 LEU 44 HD11 LEU 44 -7.143 -3.184 1.115 263 HD12 LEU 44 HD12 LEU 44 -7.334 -1.443 0.835 264 HD13 LEU 44 HD13 LEU 44 -7.678 -2.122 2.425 265 HD21 LEU 44 HD21 LEU 44 -4.534 -1.548 0.181 266 HD22 LEU 44 HD22 LEU 44 -5.158 -3.195 0.279 267 HD23 LEU 44 HD23 LEU 44 -3.763 -2.723 1.249 268 H MET 45 HN MET 45 -3.338 0.263 4.719 269 HA MET 45 HA MET 45 -3.851 3.022 5.094 270 HB2 MET 45 HB2 MET 45 -1.961 1.216 6.615 271 HB3 MET 45 HB1 MET 45 -2.476 2.811 7.141 272 HG2 MET 45 HG2 MET 45 -4.784 2.018 7.231 273 HG3 MET 45 HG1 MET 45 -4.240 0.414 6.746 274 HE1 MET 45 HE1 MET 45 -2.617 3.035 9.262 275 HE2 MET 45 HE2 MET 45 -3.326 2.461 10.771 276 HE3 MET 45 HE3 MET 45 -4.360 3.117 9.505 277 H LEU 46 HN LEU 46 -0.739 1.335 4.881 278 HA LEU 46 HA LEU 46 1.003 3.417 4.738 279 HB2 LEU 46 HB2 LEU 46 1.177 0.982 2.965 280 HB3 LEU 46 HB1 LEU 46 2.507 2.003 3.467 281 HG LEU 46 HG LEU 46 0.939 0.058 5.135 282 HD11 LEU 46 HD11 LEU 46 3.898 0.329 4.711 283 HD12 LEU 46 HD12 LEU 46 2.858 -0.715 3.748 284 HD13 LEU 46 HD13 LEU 46 3.030 -1.000 5.481 285 HD21 LEU 46 HD21 LEU 46 3.033 1.939 6.177 286 HD22 LEU 46 HD22 LEU 46 1.970 0.866 7.090 287 HD23 LEU 46 HD23 LEU 46 1.305 2.291 6.278 288 H ARG 47 HN ARG 47 -0.673 1.994 1.956 289 HA ARG 47 HA ARG 47 0.411 3.902 0.136 290 HB2 ARG 47 HB2 ARG 47 -1.222 2.961 -1.475 291 HB3 ARG 47 HB1 ARG 47 -0.214 1.746 -0.711 292 HG2 ARG 47 HG2 ARG 47 -2.003 0.677 0.016 293 HG3 ARG 47 HG1 ARG 47 -2.642 2.135 0.763 294 HD2 ARG 47 HD2 ARG 47 -3.139 1.033 -1.964 295 HD3 ARG 47 HD1 ARG 47 -4.284 1.630 -0.755 296 HE ARG 47 HE ARG 47 -3.930 3.796 -1.486 297 HH11 ARG 47 HH11 ARG 47 -1.852 1.568 -3.223 298 HH12 ARG 47 HH12 ARG 47 -1.275 2.765 -4.326 299 HH21 ARG 47 HH21 ARG 47 -3.162 5.371 -2.937 300 HH22 ARG 47 HH22 ARG 47 -1.987 4.940 -4.137 301 H HIS 48 HN HIS 48 -2.683 3.532 1.727 302 HA HIS 48 HA HIS 48 -4.170 5.631 0.880 303 HB2 HIS 48 HB2 HIS 48 -3.993 4.069 3.268 304 HB3 HIS 48 HB1 HIS 48 -4.341 5.740 3.702 305 HD1 HIS 48 HD1 HIS 48 -6.692 5.044 4.502 306 HD2 HIS 48 HD2 HIS 48 -5.976 4.307 0.484 307 HE1 HIS 48 HE1 HIS 48 -8.913 4.397 3.535 308 HE2 HIS 48 HE2 HIS 48 -8.367 3.594 1.207 309 H ARG 49 HN ARG 49 -1.889 5.887 3.621 310 HA ARG 49 HA ARG 49 -2.267 8.624 4.025 311 HB2 ARG 49 HB2 ARG 49 0.271 7.107 4.534 312 HB3 ARG 49 HB1 ARG 49 -0.277 8.573 5.343 313 HG2 ARG 49 HG2 ARG 49 -2.281 7.216 6.104 314 HG3 ARG 49 HG1 ARG 49 -1.382 5.794 5.563 315 HD2 ARG 49 HD2 ARG 49 0.476 7.164 6.984 316 HD3 ARG 49 HD1 ARG 49 -0.996 7.491 7.891 317 HE ARG 49 HE ARG 49 -0.182 4.741 7.221 318 HH11 ARG 49 HH11 ARG 49 -1.154 7.147 9.568 319 HH12 ARG 49 HH12 ARG 49 -1.164 6.029 10.890 320 HH21 ARG 49 HH21 ARG 49 -0.167 3.280 8.966 321 HH22 ARG 49 HH22 ARG 49 -0.602 3.832 10.551 322 H ALA 50 HN ALA 50 0.312 6.980 2.332 323 HA ALA 50 HA ALA 50 1.693 9.124 1.273 324 HB1 ALA 50 HB1 ALA 50 2.456 6.787 1.147 325 HB2 ALA 50 HB2 ALA 50 2.569 7.618 -0.404 326 HB3 ALA 50 HB3 ALA 50 1.253 6.480 -0.107 327 H ALA 51 HN ALA 51 -0.898 7.293 -0.376 328 HA ALA 51 HA ALA 51 -1.127 8.932 -2.599 329 HB1 ALA 51 HB1 ALA 51 -2.027 6.667 -2.419 330 HB2 ALA 51 HB2 ALA 51 -3.251 7.820 -2.953 331 HB3 ALA 51 HB3 ALA 51 -3.247 7.251 -1.285 332 H LEU 52 HN LEU 52 -2.760 9.152 0.544 333 HA LEU 52 HA LEU 52 -4.606 11.131 -0.504 334 HB2 LEU 52 HB2 LEU 52 -4.363 10.360 2.394 335 HB3 LEU 52 HB1 LEU 52 -5.766 10.973 1.531 336 HG LEU 52 HG LEU 52 -4.554 8.238 1.154 337 HD11 LEU 52 HD11 LEU 52 -5.674 8.493 3.304 338 HD12 LEU 52 HD12 LEU 52 -6.531 7.388 2.227 339 HD13 LEU 52 HD13 LEU 52 -7.135 9.031 2.474 340 HD21 LEU 52 HD21 LEU 52 -5.540 9.057 -0.886 341 HD22 LEU 52 HD22 LEU 52 -7.022 9.474 -0.023 342 HD23 LEU 52 HD23 LEU 52 -6.538 7.778 -0.183 343 H GLY 53 HN GLY 53 -2.662 11.267 2.514 344 HA2 GLY 53 HA2 GLY 53 -0.874 13.222 1.726 345 HA3 GLY 53 HA1 GLY 53 -2.306 14.080 2.269 346 H ALA 54 HN ALA 54 -1.146 11.047 3.652 347 HA ALA 54 HA ALA 54 -0.543 12.519 6.131 348 HB1 ALA 54 HB1 ALA 54 -2.453 11.158 6.514 349 HB2 ALA 54 HB2 ALA 54 -1.085 10.369 7.302 350 HB3 ALA 54 HB3 ALA 54 -1.685 9.764 5.759 351 H ASP 55 HN ASP 55 1.351 12.054 7.215 352 HA ASP 55 HA ASP 55 3.265 10.488 5.623 353 HB2 ASP 55 HB2 ASP 55 3.799 13.031 7.171 354 HB3 ASP 55 HB1 ASP 55 4.993 12.117 6.259 355 H ASP 56 HN ASP 56 1.906 9.253 7.734 356 HA ASP 56 HA ASP 56 3.683 9.097 9.976 357 HB2 ASP 56 HB2 ASP 56 1.258 8.364 10.000 358 HB3 ASP 56 HB1 ASP 56 1.766 6.942 9.093 359 H ASN 57 HN ASN 57 5.407 7.818 10.292 360 HA ASN 57 HA ASN 57 7.092 7.322 8.305 361 HB2 ASN 57 HB2 ASN 57 8.310 5.784 9.793 362 HB3 ASN 57 HB1 ASN 57 7.895 7.327 10.527 363 HD21 ASN 57 HD21 ASN 57 7.387 3.901 10.540 364 HD22 ASN 57 HD22 ASN 57 6.444 3.835 11.985 365 H ASP 58 HN ASP 58 4.822 4.787 9.440 366 HA ASP 58 HA ASP 58 6.185 2.748 7.999 367 HB2 ASP 58 HB2 ASP 58 3.999 1.462 8.195 368 HB3 ASP 58 HB1 ASP 58 4.757 1.941 9.702 369 H ALA 59 HN ALA 59 3.584 4.844 7.291 370 HA ALA 59 HA ALA 59 3.103 4.003 4.631 371 HB1 ALA 59 HB1 ALA 59 1.912 6.090 4.347 372 HB2 ALA 59 HB2 ALA 59 2.600 6.701 5.852 373 HB3 ALA 59 HB3 ALA 59 1.498 5.312 5.878 374 H VAL 60 HN VAL 60 5.422 6.318 5.985 375 HA VAL 60 HA VAL 60 5.977 7.399 3.383 376 HB VAL 60 HB VAL 60 7.523 8.841 4.321 377 HG11 VAL 60 HG11 VAL 60 6.529 9.705 6.406 378 HG12 VAL 60 HG12 VAL 60 5.535 8.249 6.492 379 HG13 VAL 60 HG13 VAL 60 5.344 9.372 5.144 380 HG21 VAL 60 HG21 VAL 60 8.575 8.528 6.544 381 HG22 VAL 60 HG22 VAL 60 9.049 7.351 5.317 382 HG23 VAL 60 HG23 VAL 60 7.892 6.900 6.572 383 H LYS 61 HN LYS 61 7.455 5.017 5.540 384 HA LYS 61 HA LYS 61 9.665 4.489 3.823 385 HB2 LYS 61 HB2 LYS 61 8.387 2.880 6.031 386 HB3 LYS 61 HB1 LYS 61 9.935 2.506 5.279 387 HG2 LYS 61 HG2 LYS 61 10.974 4.379 6.185 388 HG3 LYS 61 HG1 LYS 61 9.434 5.193 6.501 389 HD2 LYS 61 HD2 LYS 61 10.731 4.176 8.491 390 HD3 LYS 61 HD1 LYS 61 8.995 3.872 8.375 391 HE2 LYS 61 HE2 LYS 61 9.405 1.708 7.399 392 HE3 LYS 61 HE1 LYS 61 11.144 2.002 7.397 393 HZ1 LYS 61 HZ1 LYS 61 9.484 1.925 9.856 394 HZ2 LYS 61 HZ2 LYS 61 11.170 1.994 9.770 395 HZ3 LYS 61 HZ3 LYS 61 10.355 0.601 9.268 396 H PHE 62 HN PHE 62 6.361 3.491 3.931 397 HA PHE 62 HA PHE 62 6.576 1.377 2.041 398 HB2 PHE 62 HB2 PHE 62 4.543 1.634 3.353 399 HB3 PHE 62 HB1 PHE 62 4.286 3.245 2.695 400 HD1 PHE 62 HD2 PHE 62 4.230 -0.361 1.919 401 HD2 PHE 62 HD1 PHE 62 3.308 3.566 0.568 402 HE1 PHE 62 HE2 PHE 62 2.889 -1.309 0.094 403 HE2 PHE 62 HE1 PHE 62 1.961 2.623 -1.260 404 HZ PHE 62 HZ PHE 62 1.778 0.145 -1.497 405 H ARG 63 HN ARG 63 5.658 4.786 1.797 406 HA ARG 63 HA ARG 63 5.492 5.101 -0.909 407 HB2 ARG 63 HB2 ARG 63 4.899 6.840 0.632 408 HB3 ARG 63 HB1 ARG 63 6.527 6.932 1.261 409 HG2 ARG 63 HG2 ARG 63 5.987 7.599 -1.600 410 HG3 ARG 63 HG1 ARG 63 5.646 8.771 -0.325 411 HD2 ARG 63 HD2 ARG 63 8.068 8.269 0.463 412 HD3 ARG 63 HD1 ARG 63 8.272 7.586 -1.152 413 HE ARG 63 HE ARG 63 7.391 10.360 -0.744 414 HH11 ARG 63 HH11 ARG 63 9.520 8.027 -2.243 415 HH12 ARG 63 HH12 ARG 63 10.276 9.187 -3.281 416 HH21 ARG 63 HH21 ARG 63 8.392 11.903 -2.123 417 HH22 ARG 63 HH22 ARG 63 9.649 11.388 -3.204 418 H SER 64 HN SER 64 8.425 5.881 0.968 419 HA SER 64 HA SER 64 10.188 6.284 -1.022 420 HB2 SER 64 HB2 SER 64 11.972 5.403 0.532 421 HB3 SER 64 HB1 SER 64 10.886 6.604 1.225 422 HG SER 64 HG SER 64 11.373 4.130 2.069 423 H TRP 65 HN TRP 65 9.355 3.048 0.219 424 HA TRP 65 HA TRP 65 11.123 1.711 -1.573 425 HB2 TRP 65 HB2 TRP 65 10.687 0.468 0.336 426 HB3 TRP 65 HB1 TRP 65 8.968 0.832 0.299 427 HD1 TRP 65 HD1 TRP 65 11.535 -1.484 -1.428 428 HE1 TRP 65 HE1 TRP 65 10.258 -3.518 -2.384 429 HE3 TRP 65 HE3 TRP 65 6.839 0.067 -0.453 430 HZ2 TRP 65 HZ2 TRP 65 7.553 -4.301 -2.714 431 HZ3 TRP 65 HZ3 TRP 65 4.941 -1.359 -1.106 432 HH2 TRP 65 HH2 TRP 65 5.292 -3.516 -2.196 433 H TRP 66 HN TRP 66 7.609 2.114 -1.529 434 HA TRP 66 HA TRP 66 7.183 0.500 -3.829 435 HB2 TRP 66 HB2 TRP 66 5.586 0.962 -1.901 436 HB3 TRP 66 HB1 TRP 66 5.288 2.529 -2.638 437 HD1 TRP 66 HD1 TRP 66 2.975 2.406 -3.604 438 HE1 TRP 66 HE1 TRP 66 1.627 0.791 -5.071 439 HE3 TRP 66 HE3 TRP 66 6.379 -1.372 -3.937 440 HZ2 TRP 66 HZ2 TRP 66 1.980 -1.704 -6.234 441 HZ3 TRP 66 HZ3 TRP 66 5.794 -3.354 -5.260 442 HH2 TRP 66 HH2 TRP 66 3.641 -3.523 -6.391 443 H ASN 67 HN ASN 67 7.920 3.856 -3.382 444 HA ASN 67 HA ASN 67 6.826 4.552 -5.994 445 HB2 ASN 67 HB2 ASN 67 7.800 6.147 -3.675 446 HB3 ASN 67 HB1 ASN 67 7.680 6.888 -5.268 447 HD21 ASN 67 HD21 ASN 67 5.938 5.406 -2.668 448 HD22 ASN 67 HD22 ASN 67 4.377 5.965 -3.136 449 H SER 68 HN SER 68 9.621 3.288 -4.916 450 HA SER 68 HA SER 68 11.273 4.819 -6.754 451 HB2 SER 68 HB2 SER 68 12.002 2.552 -4.885 452 HB3 SER 68 HB1 SER 68 13.143 3.386 -5.937 453 HG SER 68 HG SER 68 11.754 4.378 -3.680 454 H ARG 69 HN ARG 69 9.242 2.249 -6.678 455 HA ARG 69 HA ARG 69 10.534 0.883 -8.911 456 HB2 ARG 69 HB2 ARG 69 8.934 -1.029 -7.905 457 HB3 ARG 69 HB1 ARG 69 10.617 -0.826 -7.476 458 HG2 ARG 69 HG2 ARG 69 10.115 0.162 -5.433 459 HG3 ARG 69 HG1 ARG 69 8.445 0.481 -5.890 460 HD2 ARG 69 HD2 ARG 69 9.746 -2.126 -5.183 461 HD3 ARG 69 HD1 ARG 69 8.307 -1.379 -4.474 462 HE ARG 69 HE ARG 69 7.459 -1.756 -6.943 463 HH11 ARG 69 HH11 ARG 69 9.344 -3.926 -4.940 464 HH12 ARG 69 HH12 ARG 69 8.670 -5.360 -5.641 465 HH21 ARG 69 HH21 ARG 69 6.552 -3.641 -7.847 466 HH22 ARG 69 HH22 ARG 69 7.068 -5.206 -7.281 467 H THR 70 HN THR 70 7.398 1.053 -7.333 468 HA THR 70 HA THR 70 6.026 0.796 -9.893 469 HB THR 70 HB THR 70 4.798 0.943 -7.154 470 HG1 THR 70 HG1 THR 70 5.083 -1.593 -8.020 471 HG21 THR 70 HG21 THR 70 3.249 1.081 -8.990 472 HG22 THR 70 HG22 THR 70 3.081 -0.484 -8.192 473 HG23 THR 70 HG23 THR 70 3.935 -0.365 -9.733 474 H LYS 71 HN LYS 71 5.657 2.698 -6.962 475 HA LYS 71 HA LYS 71 4.946 4.802 -6.527 476 HB2 LYS 71 HB2 LYS 71 4.842 5.283 -9.485 477 HB3 LYS 71 HB1 LYS 71 4.769 6.474 -8.204 478 HG2 LYS 71 HG2 LYS 71 7.049 5.607 -7.486 479 HG3 LYS 71 HG1 LYS 71 7.105 4.822 -9.059 480 HD2 LYS 71 HD2 LYS 71 8.276 6.955 -9.071 481 HD3 LYS 71 HD1 LYS 71 6.873 6.992 -10.149 482 HE2 LYS 71 HE2 LYS 71 5.587 8.211 -8.513 483 HE3 LYS 71 HE1 LYS 71 6.874 8.043 -7.321 484 HZ1 LYS 71 HZ1 LYS 71 7.045 9.568 -9.862 485 HZ2 LYS 71 HZ2 LYS 71 8.296 9.394 -8.737 486 HZ3 LYS 71 HZ3 LYS 71 6.889 10.233 -8.312 487 H MET 72 HN MET 72 3.418 2.445 -7.040 488 HA MET 72 HA MET 72 1.318 1.696 -6.957 489 HB2 MET 72 HB2 MET 72 -0.232 3.807 -6.028 490 HB3 MET 72 HB1 MET 72 0.539 2.542 -5.089 491 HG2 MET 72 HG2 MET 72 2.242 3.878 -4.449 492 HG3 MET 72 HG1 MET 72 2.053 5.017 -5.774 493 HE1 MET 72 HE1 MET 72 2.507 5.979 -2.762 494 HE2 MET 72 HE2 MET 72 1.305 7.267 -2.660 495 HE3 MET 72 HE3 MET 72 2.261 7.067 -4.127 496 H ALA 73 HN ALA 73 -1.032 2.755 -6.987 497 HA ALA 73 HA ALA 73 -1.680 4.154 -9.387 498 HB1 ALA 73 HB1 ALA 73 -3.034 2.348 -10.339 499 HB2 ALA 73 HB2 ALA 73 -2.443 1.255 -9.090 500 HB3 ALA 73 HB3 ALA 73 -1.329 1.913 -10.288 501 H ASN 74 HN ASN 74 -2.047 5.111 -7.139 502 HA ASN 74 HA ASN 74 -3.330 4.826 -5.044 503 HB2 ASN 74 HB2 ASN 74 -4.201 6.884 -7.053 504 HB3 ASN 74 HB1 ASN 74 -4.799 6.878 -5.395 505 HD21 ASN 74 HD21 ASN 74 -3.815 8.767 -4.780 506 HD22 ASN 74 HD22 ASN 74 -2.102 8.917 -4.597 507 H ASP 75 HN ASP 75 -5.799 5.549 -7.483 508 HA ASP 75 HA ASP 75 -7.294 3.205 -6.548 509 HB2 ASP 75 HB2 ASP 75 -8.261 6.057 -6.654 510 HB3 ASP 75 HB1 ASP 75 -9.393 4.726 -6.848 511 H TYR 76 HN TYR 76 -5.682 3.625 -8.895 512 HA TYR 76 HA TYR 76 -7.544 4.102 -11.071 513 HB2 TYR 76 HB2 TYR 76 -4.631 3.345 -11.036 514 HB3 TYR 76 HB1 TYR 76 -5.565 3.660 -12.494 515 HD1 TYR 76 HD1 TYR 76 -6.597 5.982 -12.779 516 HD2 TYR 76 HD2 TYR 76 -3.655 5.095 -9.845 517 HE1 TYR 76 HE1 TYR 76 -6.090 8.369 -12.573 518 HE2 TYR 76 HE2 TYR 76 -3.141 7.473 -9.627 519 HH TYR 76 HH TYR 76 -5.110 9.918 -11.008 Start of MODEL 16 1 H1 GLY 10 HT1 GLY 10 -10.100 7.173 -3.734 2 H2 GLY 10 HT2 GLY 10 -8.543 6.515 -3.645 3 H3 GLY 10 HT3 GLY 10 -8.804 8.135 -3.234 4 HA2 GLY 10 HA1 GLY 10 -8.517 6.739 -1.266 5 HA3 GLY 10 HA2 GLY 10 -10.091 7.520 -1.323 6 H THR 11 HN THR 11 -9.274 5.067 0.060 7 HA THR 11 HA THR 11 -11.277 3.271 -1.094 8 HB THR 11 HB THR 11 -9.106 1.814 0.181 9 HG1 THR 11 HG1 THR 11 -8.428 3.045 -2.298 10 HG21 THR 11 HG21 THR 11 -10.779 0.688 -1.121 11 HG22 THR 11 HG22 THR 11 -9.226 0.530 -1.950 12 HG23 THR 11 HG23 THR 11 -10.418 1.690 -2.532 13 H TYR 12 HN TYR 12 -10.313 1.362 1.058 14 HA TYR 12 HA TYR 12 -11.334 2.724 3.431 15 HB2 TYR 12 HB2 TYR 12 -12.244 -0.033 2.841 16 HB3 TYR 12 HB1 TYR 12 -13.004 1.202 3.831 17 HD1 TYR 12 HD1 TYR 12 -12.568 -0.084 0.459 18 HD2 TYR 12 HD2 TYR 12 -14.418 2.874 2.852 19 HE1 TYR 12 HE1 TYR 12 -14.063 0.489 -1.417 20 HE2 TYR 12 HE2 TYR 12 -15.916 3.463 1.020 21 HH TYR 12 HH TYR 12 -16.300 1.554 -1.741 22 H ARG 13 HN ARG 13 -11.279 0.839 5.268 23 HA ARG 13 HA ARG 13 -9.356 -1.247 4.688 24 HB2 ARG 13 HB2 ARG 13 -7.883 0.424 5.665 25 HB3 ARG 13 HB1 ARG 13 -8.977 0.628 7.031 26 HG2 ARG 13 HG2 ARG 13 -8.630 -1.823 7.519 27 HG3 ARG 13 HG1 ARG 13 -7.323 -1.787 6.338 28 HD2 ARG 13 HD2 ARG 13 -5.932 -0.686 7.714 29 HD3 ARG 13 HD1 ARG 13 -7.230 0.285 8.431 30 HE ARG 13 HE ARG 13 -7.342 -2.512 9.134 31 HH11 ARG 13 HH11 ARG 13 -5.930 0.578 10.016 32 HH12 ARG 13 HH12 ARG 13 -5.715 0.137 11.677 33 HH21 ARG 13 HH21 ARG 13 -7.054 -3.079 11.305 34 HH22 ARG 13 HH22 ARG 13 -6.356 -1.943 12.414 35 H GLY 14 HN GLY 14 -9.705 -3.112 5.896 36 HA2 GLY 14 HA2 GLY 14 -10.581 -4.457 7.565 37 HA3 GLY 14 HA1 GLY 14 -11.309 -3.037 8.287 38 H ARG 15 HN ARG 15 -12.734 -2.337 5.799 39 HA ARG 15 HA ARG 15 -15.057 -3.907 6.374 40 HB2 ARG 15 HB2 ARG 15 -16.134 -2.369 4.646 41 HB3 ARG 15 HB1 ARG 15 -15.503 -1.611 6.097 42 HG2 ARG 15 HG2 ARG 15 -14.742 -0.175 4.515 43 HG3 ARG 15 HG1 ARG 15 -13.369 -1.271 4.626 44 HD2 ARG 15 HD2 ARG 15 -13.837 -0.830 2.315 45 HD3 ARG 15 HD1 ARG 15 -14.264 -2.516 2.681 46 HE ARG 15 HE ARG 15 -16.500 -0.755 2.962 47 HH11 ARG 15 HH11 ARG 15 -14.609 -2.526 0.609 48 HH12 ARG 15 HH12 ARG 15 -15.892 -2.604 -0.551 49 HH21 ARG 15 HH21 ARG 15 -18.187 -0.856 1.439 50 HH22 ARG 15 HH22 ARG 15 -17.925 -1.649 -0.082 51 H GLY 16 HN GLY 16 -13.328 -5.682 5.392 52 HA2 GLY 16 HA2 GLY 16 -13.161 -7.357 3.817 53 HA3 GLY 16 HA1 GLY 16 -14.687 -6.769 3.161 54 H VAL 17 HN VAL 17 -11.893 -4.774 3.537 55 HA VAL 17 HA VAL 17 -12.086 -3.587 1.077 56 HB VAL 17 HB VAL 17 -9.506 -3.141 1.364 57 HG11 VAL 17 HG11 VAL 17 -11.619 -2.054 3.210 58 HG12 VAL 17 HG12 VAL 17 -11.370 -1.578 1.526 59 HG13 VAL 17 HG13 VAL 17 -10.118 -1.255 2.735 60 HG21 VAL 17 HG21 VAL 17 -10.369 -4.196 4.060 61 HG22 VAL 17 HG22 VAL 17 -8.969 -3.153 3.822 62 HG23 VAL 17 HG23 VAL 17 -9.021 -4.748 3.063 63 H ALA 18 HN ALA 18 -11.713 -4.011 -0.846 64 HA ALA 18 HA ALA 18 -9.975 -6.270 -1.554 65 HB1 ALA 18 HB1 ALA 18 -12.081 -4.891 -3.226 66 HB2 ALA 18 HB2 ALA 18 -12.275 -6.438 -2.401 67 HB3 ALA 18 HB3 ALA 18 -11.113 -6.280 -3.719 68 H LEU 19 HN LEU 19 -10.283 -2.917 -1.477 69 HA LEU 19 HA LEU 19 -8.894 -1.219 -2.018 70 HB2 LEU 19 HB2 LEU 19 -7.351 -2.791 -0.956 71 HB3 LEU 19 HB1 LEU 19 -7.021 -3.509 -2.481 72 HG LEU 19 HG LEU 19 -5.288 -2.044 -1.470 73 HD11 LEU 19 HD11 LEU 19 -4.682 -2.383 -3.556 74 HD12 LEU 19 HD12 LEU 19 -5.141 -0.682 -3.736 75 HD13 LEU 19 HD13 LEU 19 -6.264 -1.956 -4.200 76 HD21 LEU 19 HD21 LEU 19 -6.794 -0.308 -0.664 77 HD22 LEU 19 HD22 LEU 19 -7.087 0.180 -2.334 78 HD23 LEU 19 HD23 LEU 19 -5.465 0.308 -1.641 79 H THR 20 HN THR 20 -7.546 -0.352 -4.089 80 HA THR 20 HA THR 20 -8.994 -0.866 -6.417 81 HB THR 20 HB THR 20 -7.668 1.190 -6.151 82 HG1 THR 20 HG1 THR 20 -6.448 0.544 -8.399 83 HG21 THR 20 HG21 THR 20 -5.224 1.077 -6.703 84 HG22 THR 20 HG22 THR 20 -5.327 -0.673 -6.481 85 HG23 THR 20 HG23 THR 20 -5.665 0.412 -5.133 86 H ASP 21 HN ASP 21 -7.539 -1.558 -8.520 87 HA ASP 21 HA ASP 21 -7.609 -4.366 -8.143 88 HB2 ASP 21 HB2 ASP 21 -8.337 -3.305 -10.227 89 HB3 ASP 21 HB1 ASP 21 -6.689 -2.775 -10.543 90 H ASP 22 HN ASP 22 -4.884 -2.252 -9.091 91 HA ASP 22 HA ASP 22 -3.046 -4.414 -9.187 92 HB2 ASP 22 HB2 ASP 22 -2.586 -1.440 -9.045 93 HB3 ASP 22 HB1 ASP 22 -1.298 -2.614 -9.264 94 H GLU 23 HN GLU 23 -3.116 -1.666 -6.971 95 HA GLU 23 HA GLU 23 -1.065 -2.290 -5.355 96 HB2 GLU 23 HB2 GLU 23 -3.596 -1.142 -4.240 97 HB3 GLU 23 HB1 GLU 23 -1.959 -0.950 -3.628 98 HG2 GLU 23 HG2 GLU 23 -3.154 0.243 -6.089 99 HG3 GLU 23 HG1 GLU 23 -2.350 1.023 -4.734 100 H TYR 24 HN TYR 24 -4.287 -3.759 -4.983 101 HA TYR 24 HA TYR 24 -3.770 -4.932 -2.451 102 HB2 TYR 24 HB2 TYR 24 -6.032 -4.688 -3.481 103 HB3 TYR 24 HB1 TYR 24 -5.607 -5.941 -4.640 104 HD1 TYR 24 HD2 TYR 24 -5.083 -8.325 -3.726 105 HD2 TYR 24 HD1 TYR 24 -6.930 -5.257 -1.388 106 HE1 TYR 24 HE2 TYR 24 -5.893 -10.007 -2.132 107 HE2 TYR 24 HE1 TYR 24 -7.743 -6.947 0.195 108 HH TYR 24 HH TYR 24 -6.587 -10.123 0.250 109 H ASP 25 HN ASP 25 -3.743 -6.310 -5.678 110 HA ASP 25 HA ASP 25 -2.455 -8.716 -5.107 111 HB2 ASP 25 HB2 ASP 25 -3.536 -8.041 -7.292 112 HB3 ASP 25 HB1 ASP 25 -2.062 -7.150 -7.657 113 H GLU 26 HN GLU 26 -1.137 -5.547 -5.824 114 HA GLU 26 HA GLU 26 1.591 -6.344 -5.862 115 HB2 GLU 26 HB2 GLU 26 0.297 -3.649 -5.488 116 HB3 GLU 26 HB1 GLU 26 2.029 -3.889 -5.652 117 HG2 GLU 26 HG2 GLU 26 -0.050 -4.611 -7.703 118 HG3 GLU 26 HG1 GLU 26 1.011 -3.206 -7.753 119 H TRP 27 HN TRP 27 -0.627 -5.637 -3.313 120 HA TRP 27 HA TRP 27 1.236 -5.133 -1.252 121 HB2 TRP 27 HB2 TRP 27 -0.860 -4.666 -0.485 122 HB3 TRP 27 HB1 TRP 27 -1.605 -5.949 -1.427 123 HD1 TRP 27 HD1 TRP 27 0.405 -5.531 1.892 124 HE1 TRP 27 HE1 TRP 27 -0.360 -7.400 3.482 125 HE3 TRP 27 HE3 TRP 27 -2.681 -8.111 -1.277 126 HZ2 TRP 27 HZ2 TRP 27 -2.057 -9.621 3.414 127 HZ3 TRP 27 HZ3 TRP 27 -3.841 -10.104 -0.422 128 HH2 TRP 27 HH2 TRP 27 -3.524 -10.852 1.880 129 H ARG 28 HN ARG 28 -0.078 -8.056 -2.667 130 HA ARG 28 HA ARG 28 1.057 -9.945 -0.972 131 HB2 ARG 28 HB2 ARG 28 0.689 -10.150 -3.960 132 HB3 ARG 28 HB1 ARG 28 0.883 -11.492 -2.840 133 HG2 ARG 28 HG2 ARG 28 -1.275 -9.687 -2.115 134 HG3 ARG 28 HG1 ARG 28 -1.483 -10.458 -3.675 135 HD2 ARG 28 HD2 ARG 28 -2.517 -11.766 -1.903 136 HD3 ARG 28 HD1 ARG 28 -1.189 -12.648 -2.658 137 HE ARG 28 HE ARG 28 0.047 -11.539 -0.568 138 HH11 ARG 28 HH11 ARG 28 -2.980 -13.273 -0.802 139 HH12 ARG 28 HH12 ARG 28 -2.912 -13.877 0.821 140 HH21 ARG 28 HH21 ARG 28 0.157 -12.342 1.570 141 HH22 ARG 28 HH22 ARG 28 -1.122 -13.345 2.175 142 H GLU 29 HN GLU 29 2.389 -8.258 -3.797 143 HA GLU 29 HA GLU 29 4.986 -9.428 -3.610 144 HB2 GLU 29 HB2 GLU 29 4.185 -8.372 -5.686 145 HB3 GLU 29 HB1 GLU 29 4.177 -6.806 -4.883 146 HG2 GLU 29 HG2 GLU 29 6.590 -6.949 -4.563 147 HG3 GLU 29 HG1 GLU 29 6.605 -8.524 -5.351 148 H HIS 30 HN HIS 30 3.603 -6.391 -2.435 149 HA HIS 30 HA HIS 30 5.763 -5.227 -1.195 150 HB2 HIS 30 HB2 HIS 30 3.586 -4.146 -1.201 151 HB3 HIS 30 HB1 HIS 30 2.912 -5.416 -0.188 152 HD1 HIS 30 HD1 HIS 30 2.257 -3.986 1.792 153 HD2 HIS 30 HD2 HIS 30 6.235 -3.501 0.716 154 HE1 HIS 30 HE1 HIS 30 3.277 -2.569 3.611 155 HE2 HIS 30 HE2 HIS 30 5.648 -2.173 2.852 156 H ASN 31 HN ASN 31 3.725 -7.829 0.028 157 HA ASN 31 HA ASN 31 4.862 -8.238 2.517 158 HB2 ASN 31 HB2 ASN 31 2.828 -9.364 1.655 159 HB3 ASN 31 HB1 ASN 31 3.840 -10.343 0.602 160 HD21 ASN 31 HD21 ASN 31 4.966 -12.051 1.440 161 HD22 ASN 31 HD22 ASN 31 4.766 -12.607 3.063 162 H ALA 32 HN ALA 32 5.760 -9.620 -0.592 163 HA ALA 32 HA ALA 32 7.974 -11.118 0.325 164 HB1 ALA 32 HB1 ALA 32 7.445 -10.039 -2.431 165 HB2 ALA 32 HB2 ALA 32 6.806 -11.553 -1.783 166 HB3 ALA 32 HB3 ALA 32 8.542 -11.354 -2.007 167 H SER 33 HN SER 33 7.877 -8.077 -1.528 168 HA SER 33 HA SER 33 10.635 -7.751 -1.648 169 HB2 SER 33 HB2 SER 33 9.083 -6.640 -3.177 170 HB3 SER 33 HB1 SER 33 8.496 -5.623 -1.867 171 HG SER 33 HG SER 33 11.130 -5.701 -2.932 172 H ARG 34 HN ARG 34 8.396 -6.585 0.844 173 HA ARG 34 HA ARG 34 10.592 -5.097 2.062 174 HB2 ARG 34 HB2 ARG 34 7.660 -5.167 2.653 175 HB3 ARG 34 HB1 ARG 34 8.821 -4.361 3.703 176 HG2 ARG 34 HG2 ARG 34 8.330 -3.732 0.797 177 HG3 ARG 34 HG1 ARG 34 7.766 -2.787 2.176 178 HD2 ARG 34 HD2 ARG 34 10.644 -3.292 1.416 179 HD3 ARG 34 HD1 ARG 34 9.749 -1.800 1.155 180 HE ARG 34 HE ARG 34 9.609 -2.354 3.870 181 HH11 ARG 34 HH11 ARG 34 12.081 -1.615 1.498 182 HH12 ARG 34 HH12 ARG 34 13.116 -0.824 2.643 183 HH21 ARG 34 HH21 ARG 34 10.982 -1.323 5.371 184 HH22 ARG 34 HH22 ARG 34 12.495 -0.663 4.839 185 H LYS 35 HN LYS 35 9.669 -8.176 2.080 186 HA LYS 35 HA LYS 35 10.174 -9.964 3.358 187 HB2 LYS 35 HB2 LYS 35 12.164 -7.967 4.360 188 HB3 LYS 35 HB1 LYS 35 12.086 -9.575 5.060 189 HG2 LYS 35 HG2 LYS 35 13.789 -9.585 3.400 190 HG3 LYS 35 HG1 LYS 35 12.426 -10.509 2.770 191 HD2 LYS 35 HD2 LYS 35 11.712 -8.507 1.500 192 HD3 LYS 35 HD1 LYS 35 13.149 -7.663 2.075 193 HE2 LYS 35 HE2 LYS 35 13.528 -8.512 -0.160 194 HE3 LYS 35 HE1 LYS 35 14.559 -9.363 0.990 195 HZ1 LYS 35 HZ1 LYS 35 12.007 -10.390 -0.137 196 HZ2 LYS 35 HZ2 LYS 35 12.994 -11.205 0.971 197 HZ3 LYS 35 HZ3 LYS 35 13.560 -10.887 -0.590 198 H LEU 36 HN LEU 36 8.025 -8.226 4.231 199 HA LEU 36 HA LEU 36 7.989 -8.834 7.092 200 HB2 LEU 36 HB2 LEU 36 5.836 -7.230 6.778 201 HB3 LEU 36 HB1 LEU 36 7.453 -6.613 7.112 202 HG LEU 36 HG LEU 36 7.764 -6.249 4.673 203 HD11 LEU 36 HD11 LEU 36 4.906 -7.163 4.587 204 HD12 LEU 36 HD12 LEU 36 6.292 -7.858 3.747 205 HD13 LEU 36 HD13 LEU 36 5.689 -6.266 3.284 206 HD21 LEU 36 HD21 LEU 36 5.290 -4.911 5.754 207 HD22 LEU 36 HD22 LEU 36 6.415 -4.287 4.530 208 HD23 LEU 36 HD23 LEU 36 6.947 -4.478 6.201 209 H ASP 37 HN ASP 37 5.335 -8.863 7.531 210 HA ASP 37 HA ASP 37 4.051 -10.632 5.612 211 HB2 ASP 37 HB2 ASP 37 5.270 -12.044 7.361 212 HB3 ASP 37 HB1 ASP 37 4.146 -11.376 8.541 213 H LEU 38 HN LEU 38 3.294 -8.314 5.594 214 HA LEU 38 HA LEU 38 1.576 -7.532 7.789 215 HB2 LEU 38 HB2 LEU 38 1.769 -5.413 6.955 216 HB3 LEU 38 HB1 LEU 38 3.223 -6.099 6.296 217 HG LEU 38 HG LEU 38 0.688 -6.077 4.744 218 HD11 LEU 38 HD11 LEU 38 0.973 -3.811 5.436 219 HD12 LEU 38 HD12 LEU 38 1.499 -3.944 3.756 220 HD13 LEU 38 HD13 LEU 38 2.694 -3.867 5.053 221 HD21 LEU 38 HD21 LEU 38 3.557 -5.910 3.852 222 HD22 LEU 38 HD22 LEU 38 2.140 -6.253 2.859 223 HD23 LEU 38 HD23 LEU 38 2.693 -7.432 4.052 224 H SER 39 HN SER 39 -0.656 -7.114 7.553 225 HA SER 39 HA SER 39 -1.928 -8.740 5.523 226 HB2 SER 39 HB2 SER 39 -3.170 -7.121 7.745 227 HB3 SER 39 HB1 SER 39 -4.003 -8.299 6.741 228 HG SER 39 HG SER 39 -1.748 -8.945 8.330 229 H VAL 40 HN VAL 40 -4.000 -7.710 4.503 230 HA VAL 40 HA VAL 40 -2.956 -5.780 2.749 231 HB VAL 40 HB VAL 40 -5.002 -7.539 2.587 232 HG11 VAL 40 HG11 VAL 40 -6.338 -4.846 2.870 233 HG12 VAL 40 HG12 VAL 40 -6.605 -6.270 3.876 234 HG13 VAL 40 HG13 VAL 40 -7.095 -6.283 2.181 235 HG21 VAL 40 HG21 VAL 40 -5.436 -6.557 0.423 236 HG22 VAL 40 HG22 VAL 40 -3.711 -6.588 0.803 237 HG23 VAL 40 HG23 VAL 40 -4.623 -5.076 0.928 238 H GLU 41 HN GLU 41 -5.283 -5.536 5.355 239 HA GLU 41 HA GLU 41 -6.131 -2.953 5.157 240 HB2 GLU 41 HB2 GLU 41 -5.266 -4.359 7.695 241 HB3 GLU 41 HB1 GLU 41 -6.292 -2.935 7.625 242 HG2 GLU 41 HG2 GLU 41 -7.968 -4.233 6.383 243 HG3 GLU 41 HG1 GLU 41 -6.945 -5.663 6.548 244 H ASP 42 HN ASP 42 -3.228 -3.984 6.958 245 HA ASP 42 HA ASP 42 -2.151 -1.555 7.568 246 HB2 ASP 42 HB2 ASP 42 -0.695 -4.074 6.733 247 HB3 ASP 42 HB1 ASP 42 0.052 -2.711 7.549 248 H PHE 43 HN PHE 43 -1.676 -3.414 4.574 249 HA PHE 43 HA PHE 43 0.100 -1.668 3.303 250 HB2 PHE 43 HB2 PHE 43 -0.254 -3.840 2.352 251 HB3 PHE 43 HB1 PHE 43 -1.975 -3.532 2.152 252 HD1 PHE 43 HD2 PHE 43 -2.704 -1.770 0.458 253 HD2 PHE 43 HD1 PHE 43 1.276 -3.274 0.648 254 HE1 PHE 43 HE2 PHE 43 -2.311 -0.966 -1.801 255 HE2 PHE 43 HE1 PHE 43 1.678 -2.464 -1.638 256 HZ PHE 43 HZ PHE 43 -0.118 -1.303 -2.867 257 H LEU 44 HN LEU 44 -3.380 -1.970 3.010 258 HA LEU 44 HA LEU 44 -3.885 0.069 1.228 259 HB2 LEU 44 HB2 LEU 44 -5.730 -0.564 3.543 260 HB3 LEU 44 HB1 LEU 44 -6.180 -0.046 1.932 261 HG LEU 44 HG LEU 44 -5.447 -2.747 2.918 262 HD11 LEU 44 HD11 LEU 44 -7.751 -2.287 2.625 263 HD12 LEU 44 HD12 LEU 44 -7.239 -3.377 1.324 264 HD13 LEU 44 HD13 LEU 44 -7.478 -1.654 1.002 265 HD21 LEU 44 HD21 LEU 44 -3.896 -2.878 1.303 266 HD22 LEU 44 HD22 LEU 44 -4.664 -1.655 0.293 267 HD23 LEU 44 HD23 LEU 44 -5.323 -3.291 0.354 268 H MET 45 HN MET 45 -3.434 0.238 4.707 269 HA MET 45 HA MET 45 -4.025 3.014 4.939 270 HB2 MET 45 HB2 MET 45 -2.267 1.263 6.662 271 HB3 MET 45 HB1 MET 45 -2.765 2.899 7.071 272 HG2 MET 45 HG2 MET 45 -5.146 2.071 6.878 273 HG3 MET 45 HG1 MET 45 -4.468 0.445 6.832 274 HE1 MET 45 HE1 MET 45 -1.999 0.642 8.701 275 HE2 MET 45 HE2 MET 45 -3.142 -0.680 8.947 276 HE3 MET 45 HE3 MET 45 -2.619 0.299 10.316 277 H LEU 46 HN LEU 46 -0.911 1.289 4.803 278 HA LEU 46 HA LEU 46 0.844 3.382 4.667 279 HB2 LEU 46 HB2 LEU 46 1.018 0.925 2.924 280 HB3 LEU 46 HB1 LEU 46 2.348 1.972 3.376 281 HG LEU 46 HG LEU 46 0.832 0.057 5.128 282 HD11 LEU 46 HD11 LEU 46 2.683 -0.769 3.698 283 HD12 LEU 46 HD12 LEU 46 2.934 -0.996 5.428 284 HD13 LEU 46 HD13 LEU 46 3.771 0.303 4.580 285 HD21 LEU 46 HD21 LEU 46 2.967 1.965 6.050 286 HD22 LEU 46 HD22 LEU 46 1.960 0.894 7.028 287 HD23 LEU 46 HD23 LEU 46 1.241 2.299 6.231 288 H ARG 47 HN ARG 47 -0.732 1.901 1.845 289 HA ARG 47 HA ARG 47 0.323 3.771 -0.006 290 HB2 ARG 47 HB2 ARG 47 -1.490 2.901 -1.521 291 HB3 ARG 47 HB1 ARG 47 -0.406 1.686 -0.880 292 HG2 ARG 47 HG2 ARG 47 -2.131 0.581 -0.072 293 HG3 ARG 47 HG1 ARG 47 -2.625 1.985 0.867 294 HD2 ARG 47 HD2 ARG 47 -3.434 1.241 -1.921 295 HD3 ARG 47 HD1 ARG 47 -4.450 1.442 -0.490 296 HE ARG 47 HE ARG 47 -3.180 3.880 -1.022 297 HH11 ARG 47 HH11 ARG 47 -5.556 1.780 -2.464 298 HH12 ARG 47 HH12 ARG 47 -6.472 3.068 -3.187 299 HH21 ARG 47 HH21 ARG 47 -4.378 5.606 -1.983 300 HH22 ARG 47 HH22 ARG 47 -5.798 5.235 -2.924 301 H HIS 48 HN HIS 48 -2.801 3.517 1.570 302 HA HIS 48 HA HIS 48 -4.170 5.687 0.746 303 HB2 HIS 48 HB2 HIS 48 -3.953 4.251 3.286 304 HB3 HIS 48 HB1 HIS 48 -4.591 5.887 3.440 305 HD1 HIS 48 HD1 HIS 48 -6.686 4.242 4.237 306 HD2 HIS 48 HD2 HIS 48 -5.792 4.480 0.184 307 HE1 HIS 48 HE1 HIS 48 -8.716 3.361 3.046 308 HE2 HIS 48 HE2 HIS 48 -8.089 3.370 0.604 309 H ARG 49 HN ARG 49 -1.875 5.844 3.481 310 HA ARG 49 HA ARG 49 -2.162 8.609 3.849 311 HB2 ARG 49 HB2 ARG 49 0.244 6.941 4.502 312 HB3 ARG 49 HB1 ARG 49 -0.238 8.463 5.259 313 HG2 ARG 49 HG2 ARG 49 -2.357 7.315 5.956 314 HG3 ARG 49 HG1 ARG 49 -1.630 5.803 5.408 315 HD2 ARG 49 HD2 ARG 49 0.279 7.085 6.979 316 HD3 ARG 49 HD1 ARG 49 -1.250 7.224 7.840 317 HE ARG 49 HE ARG 49 -0.259 4.627 6.862 318 HH11 ARG 49 HH11 ARG 49 -1.507 6.619 9.450 319 HH12 ARG 49 HH12 ARG 49 -1.553 5.319 10.597 320 HH21 ARG 49 HH21 ARG 49 -0.293 2.922 8.390 321 HH22 ARG 49 HH22 ARG 49 -0.838 3.231 10.007 322 H ALA 50 HN ALA 50 0.274 6.765 2.147 323 HA ALA 50 HA ALA 50 1.871 8.838 1.188 324 HB1 ALA 50 HB1 ALA 50 2.471 6.444 1.065 325 HB2 ALA 50 HB2 ALA 50 2.713 7.293 -0.461 326 HB3 ALA 50 HB3 ALA 50 1.308 6.246 -0.245 327 H ALA 51 HN ALA 51 -0.703 7.139 -0.607 328 HA ALA 51 HA ALA 51 -0.821 8.802 -2.807 329 HB1 ALA 51 HB1 ALA 51 -3.018 7.823 -3.191 330 HB2 ALA 51 HB2 ALA 51 -3.052 7.230 -1.532 331 HB3 ALA 51 HB3 ALA 51 -1.860 6.596 -2.671 332 H LEU 52 HN LEU 52 -2.687 9.003 0.230 333 HA LEU 52 HA LEU 52 -4.330 11.109 -0.863 334 HB2 LEU 52 HB2 LEU 52 -4.250 10.325 2.039 335 HB3 LEU 52 HB1 LEU 52 -5.581 11.013 1.123 336 HG LEU 52 HG LEU 52 -4.510 8.214 0.815 337 HD11 LEU 52 HD11 LEU 52 -6.635 7.524 1.766 338 HD12 LEU 52 HD12 LEU 52 -7.078 9.214 2.018 339 HD13 LEU 52 HD13 LEU 52 -5.711 8.519 2.894 340 HD21 LEU 52 HD21 LEU 52 -6.831 9.582 -0.511 341 HD22 LEU 52 HD22 LEU 52 -6.438 7.860 -0.635 342 HD23 LEU 52 HD23 LEU 52 -5.329 9.073 -1.286 343 H GLY 53 HN GLY 53 -2.541 11.133 2.247 344 HA2 GLY 53 HA2 GLY 53 -0.621 12.991 1.626 345 HA3 GLY 53 HA1 GLY 53 -2.051 13.941 1.997 346 H ALA 54 HN ALA 54 -0.837 10.932 3.496 347 HA ALA 54 HA ALA 54 -0.420 12.456 5.977 348 HB1 ALA 54 HB1 ALA 54 -1.589 9.699 5.667 349 HB2 ALA 54 HB2 ALA 54 -2.387 11.134 6.307 350 HB3 ALA 54 HB3 ALA 54 -1.069 10.381 7.206 351 H ASP 55 HN ASP 55 1.425 11.935 7.173 352 HA ASP 55 HA ASP 55 3.352 10.345 5.620 353 HB2 ASP 55 HB2 ASP 55 5.100 11.901 6.291 354 HB3 ASP 55 HB1 ASP 55 3.789 12.753 5.485 355 H ASP 56 HN ASP 56 1.837 9.147 7.651 356 HA ASP 56 HA ASP 56 3.416 8.740 9.977 357 HB2 ASP 56 HB2 ASP 56 1.101 7.961 9.889 358 HB3 ASP 56 HB1 ASP 56 1.503 6.864 8.575 359 H ASN 57 HN ASN 57 5.267 7.674 10.227 360 HA ASN 57 HA ASN 57 6.966 7.267 8.198 361 HB2 ASN 57 HB2 ASN 57 8.424 6.095 9.670 362 HB3 ASN 57 HB1 ASN 57 7.673 7.442 10.509 363 HD21 ASN 57 HD21 ASN 57 8.089 4.038 10.361 364 HD22 ASN 57 HD22 ASN 57 7.202 3.642 11.788 365 H ASP 58 HN ASP 58 4.808 4.694 9.390 366 HA ASP 58 HA ASP 58 6.157 2.607 7.999 367 HB2 ASP 58 HB2 ASP 58 3.388 2.931 9.097 368 HB3 ASP 58 HB1 ASP 58 3.723 1.592 8.006 369 H ALA 59 HN ALA 59 3.576 4.741 7.223 370 HA ALA 59 HA ALA 59 3.148 3.926 4.547 371 HB1 ALA 59 HB1 ALA 59 2.638 6.634 5.745 372 HB2 ALA 59 HB2 ALA 59 1.534 5.250 5.809 373 HB3 ALA 59 HB3 ALA 59 1.943 5.990 4.257 374 H VAL 60 HN VAL 60 5.453 6.222 5.967 375 HA VAL 60 HA VAL 60 6.059 7.351 3.404 376 HB VAL 60 HB VAL 60 7.707 8.676 4.396 377 HG11 VAL 60 HG11 VAL 60 5.551 8.201 6.434 378 HG12 VAL 60 HG12 VAL 60 5.530 9.354 5.098 379 HG13 VAL 60 HG13 VAL 60 6.650 9.582 6.442 380 HG21 VAL 60 HG21 VAL 60 9.097 7.129 5.482 381 HG22 VAL 60 HG22 VAL 60 7.830 6.671 6.619 382 HG23 VAL 60 HG23 VAL 60 8.567 8.272 6.718 383 H LYS 61 HN LYS 61 7.483 4.882 5.497 384 HA LYS 61 HA LYS 61 9.674 4.310 3.786 385 HB2 LYS 61 HB2 LYS 61 8.271 2.711 5.919 386 HB3 LYS 61 HB1 LYS 61 9.790 2.241 5.164 387 HG2 LYS 61 HG2 LYS 61 10.961 4.009 6.134 388 HG3 LYS 61 HG1 LYS 61 9.481 4.913 6.480 389 HD2 LYS 61 HD2 LYS 61 10.679 3.745 8.435 390 HD3 LYS 61 HD1 LYS 61 8.931 3.546 8.290 391 HE2 LYS 61 HE2 LYS 61 9.846 1.405 8.762 392 HE3 LYS 61 HE1 LYS 61 9.359 1.425 7.068 393 HZ1 LYS 61 HZ1 LYS 61 11.519 0.376 7.346 394 HZ2 LYS 61 HZ2 LYS 61 12.134 1.768 8.075 395 HZ3 LYS 61 HZ3 LYS 61 11.672 1.802 6.452 396 H PHE 62 HN PHE 62 6.333 3.370 3.860 397 HA PHE 62 HA PHE 62 6.479 1.296 1.936 398 HB2 PHE 62 HB2 PHE 62 4.452 1.656 3.264 399 HB3 PHE 62 HB1 PHE 62 4.255 3.257 2.563 400 HD1 PHE 62 HD2 PHE 62 4.104 -0.369 1.856 401 HD2 PHE 62 HD1 PHE 62 3.277 3.561 0.448 402 HE1 PHE 62 HE2 PHE 62 2.726 -1.311 0.057 403 HE2 PHE 62 HE1 PHE 62 1.892 2.622 -1.355 404 HZ PHE 62 HZ PHE 62 1.677 0.127 -1.565 405 H ARG 63 HN ARG 63 5.619 4.718 1.702 406 HA ARG 63 HA ARG 63 5.510 5.061 -0.994 407 HB2 ARG 63 HB2 ARG 63 4.857 6.780 0.492 408 HB3 ARG 63 HB1 ARG 63 6.422 6.823 1.267 409 HG2 ARG 63 HG2 ARG 63 6.228 7.570 -1.603 410 HG3 ARG 63 HG1 ARG 63 5.661 8.705 -0.376 411 HD2 ARG 63 HD2 ARG 63 8.009 8.104 0.724 412 HD3 ARG 63 HD1 ARG 63 8.410 7.721 -0.949 413 HE ARG 63 HE ARG 63 7.432 10.093 -1.332 414 HH11 ARG 63 HH11 ARG 63 9.470 9.052 1.310 415 HH12 ARG 63 HH12 ARG 63 10.159 10.618 1.567 416 HH21 ARG 63 HH21 ARG 63 8.321 12.161 -1.000 417 HH22 ARG 63 HH22 ARG 63 9.500 12.394 0.252 418 H SER 64 HN SER 64 8.407 5.856 0.934 419 HA SER 64 HA SER 64 10.184 6.335 -1.011 420 HB2 SER 64 HB2 SER 64 11.967 5.370 0.531 421 HB3 SER 64 HB1 SER 64 10.899 6.591 1.221 422 HG SER 64 HG SER 64 10.967 3.813 1.672 423 H TRP 65 HN TRP 65 9.454 3.053 0.140 424 HA TRP 65 HA TRP 65 11.260 1.794 -1.666 425 HB2 TRP 65 HB2 TRP 65 10.915 0.532 0.224 426 HB3 TRP 65 HB1 TRP 65 9.201 0.909 0.290 427 HD1 TRP 65 HD1 TRP 65 11.651 -1.502 -1.431 428 HE1 TRP 65 HE1 TRP 65 10.291 -3.528 -2.296 429 HE3 TRP 65 HE3 TRP 65 7.019 0.235 -0.446 430 HZ2 TRP 65 HZ2 TRP 65 7.560 -4.242 -2.533 431 HZ3 TRP 65 HZ3 TRP 65 5.063 -1.155 -1.005 432 HH2 TRP 65 HH2 TRP 65 5.334 -3.357 -2.022 433 H TRP 66 HN TRP 66 7.744 2.174 -1.625 434 HA TRP 66 HA TRP 66 7.338 0.562 -3.953 435 HB2 TRP 66 HB2 TRP 66 5.743 0.982 -1.996 436 HB3 TRP 66 HB1 TRP 66 5.395 2.535 -2.744 437 HD1 TRP 66 HD1 TRP 66 3.106 2.359 -3.739 438 HE1 TRP 66 HE1 TRP 66 1.800 0.698 -5.190 439 HE3 TRP 66 HE3 TRP 66 6.568 -1.375 -3.963 440 HZ2 TRP 66 HZ2 TRP 66 2.196 -1.814 -6.287 441 HZ3 TRP 66 HZ3 TRP 66 6.019 -3.396 -5.248 442 HH2 TRP 66 HH2 TRP 66 3.870 -3.618 -6.387 443 H ASN 67 HN ASN 67 7.985 3.931 -3.436 444 HA ASN 67 HA ASN 67 6.901 4.683 -6.040 445 HB2 ASN 67 HB2 ASN 67 7.880 6.191 -3.672 446 HB3 ASN 67 HB1 ASN 67 7.861 6.982 -5.246 447 HD21 ASN 67 HD21 ASN 67 5.938 5.514 -2.757 448 HD22 ASN 67 HD22 ASN 67 4.431 6.175 -3.266 449 H SER 68 HN SER 68 9.706 3.387 -4.970 450 HA SER 68 HA SER 68 11.342 4.894 -6.862 451 HB2 SER 68 HB2 SER 68 12.123 2.725 -4.887 452 HB3 SER 68 HB1 SER 68 13.241 3.564 -5.963 453 HG SER 68 HG SER 68 11.877 4.516 -3.696 454 H ARG 69 HN ARG 69 9.328 2.269 -6.669 455 HA ARG 69 HA ARG 69 10.707 0.823 -8.818 456 HB2 ARG 69 HB2 ARG 69 9.291 -1.161 -7.933 457 HB3 ARG 69 HB1 ARG 69 10.752 -0.708 -7.087 458 HG2 ARG 69 HG2 ARG 69 9.439 0.464 -5.419 459 HG3 ARG 69 HG1 ARG 69 7.960 0.047 -6.289 460 HD2 ARG 69 HD2 ARG 69 8.439 -1.432 -4.353 461 HD3 ARG 69 HD1 ARG 69 8.309 -2.284 -5.893 462 HE ARG 69 HE ARG 69 10.946 -1.553 -4.804 463 HH11 ARG 69 HH11 ARG 69 8.662 -4.008 -5.839 464 HH12 ARG 69 HH12 ARG 69 9.834 -5.283 -5.814 465 HH21 ARG 69 HH21 ARG 69 12.485 -3.223 -4.785 466 HH22 ARG 69 HH22 ARG 69 12.022 -4.836 -5.231 467 H THR 70 HN THR 70 7.536 1.247 -7.376 468 HA THR 70 HA THR 70 6.250 0.766 -9.972 469 HB THR 70 HB THR 70 4.987 0.836 -7.244 470 HG1 THR 70 HG1 THR 70 5.283 -1.673 -8.100 471 HG21 THR 70 HG21 THR 70 4.149 -0.415 -9.855 472 HG22 THR 70 HG22 THR 70 3.433 0.996 -9.069 473 HG23 THR 70 HG23 THR 70 3.301 -0.596 -8.318 474 H LYS 71 HN LYS 71 5.757 2.681 -7.058 475 HA LYS 71 HA LYS 71 4.946 4.760 -6.664 476 HB2 LYS 71 HB2 LYS 71 4.955 5.172 -9.632 477 HB3 LYS 71 HB1 LYS 71 4.778 6.393 -8.391 478 HG2 LYS 71 HG2 LYS 71 7.020 5.902 -7.565 479 HG3 LYS 71 HG1 LYS 71 7.213 4.693 -8.830 480 HD2 LYS 71 HD2 LYS 71 8.348 6.735 -9.434 481 HD3 LYS 71 HD1 LYS 71 6.979 6.462 -10.522 482 HE2 LYS 71 HE2 LYS 71 5.634 8.029 -9.168 483 HE3 LYS 71 HE1 LYS 71 7.043 8.330 -8.153 484 HZ1 LYS 71 HZ1 LYS 71 8.201 9.192 -10.096 485 HZ2 LYS 71 HZ2 LYS 71 6.777 10.054 -9.811 486 HZ3 LYS 71 HZ3 LYS 71 6.839 8.915 -11.058 487 H MET 72 HN MET 72 3.521 2.323 -7.314 488 HA MET 72 HA MET 72 1.446 1.494 -7.310 489 HB2 MET 72 HB2 MET 72 -0.194 3.511 -6.328 490 HB3 MET 72 HB1 MET 72 0.601 2.241 -5.418 491 HG2 MET 72 HG2 MET 72 2.248 3.611 -4.707 492 HG3 MET 72 HG1 MET 72 2.041 4.789 -5.989 493 HE1 MET 72 HE1 MET 72 2.452 5.684 -2.990 494 HE2 MET 72 HE2 MET 72 1.194 6.910 -2.823 495 HE3 MET 72 HE3 MET 72 2.135 6.808 -4.312 496 H ALA 73 HN ALA 73 -0.920 2.408 -7.356 497 HA ALA 73 HA ALA 73 -1.534 3.951 -9.705 498 HB1 ALA 73 HB1 ALA 73 -1.390 1.666 -10.582 499 HB2 ALA 73 HB2 ALA 73 -3.054 2.248 -10.595 500 HB3 ALA 73 HB3 ALA 73 -2.521 1.127 -9.342 501 H ASN 74 HN ASN 74 -1.656 4.785 -7.314 502 HA ASN 74 HA ASN 74 -2.830 4.680 -5.216 503 HB2 ASN 74 HB2 ASN 74 -3.902 6.665 -7.194 504 HB3 ASN 74 HB1 ASN 74 -4.277 6.735 -5.474 505 HD21 ASN 74 HD21 ASN 74 -3.207 8.561 -4.941 506 HD22 ASN 74 HD22 ASN 74 -1.491 8.749 -5.053 507 H ASP 75 HN ASP 75 -5.569 5.528 -7.249 508 HA ASP 75 HA ASP 75 -6.845 2.989 -6.547 509 HB2 ASP 75 HB2 ASP 75 -8.106 5.719 -6.182 510 HB3 ASP 75 HB1 ASP 75 -8.991 4.202 -6.106 511 H TYR 76 HN TYR 76 -5.560 3.784 -8.932 512 HA TYR 76 HA TYR 76 -7.659 4.610 -10.782 513 HB2 TYR 76 HB2 TYR 76 -4.738 4.034 -11.234 514 HB3 TYR 76 HB1 TYR 76 -5.847 4.721 -12.415 515 HD1 TYR 76 HD1 TYR 76 -6.977 6.961 -11.767 516 HD2 TYR 76 HD2 TYR 76 -3.493 5.445 -9.857 517 HE1 TYR 76 HE1 TYR 76 -6.445 9.208 -10.972 518 HE2 TYR 76 HE2 TYR 76 -2.951 7.694 -9.051 519 HH TYR 76 HH TYR 76 -3.434 10.051 -9.695 Start of MODEL 17 1 H1 GLY 10 HT1 GLY 10 -9.642 8.615 -0.656 2 H2 GLY 10 HT2 GLY 10 -10.671 7.681 0.307 3 H3 GLY 10 HT3 GLY 10 -10.818 7.639 -1.377 4 HA2 GLY 10 HA1 GLY 10 -8.633 6.636 -1.573 5 HA3 GLY 10 HA2 GLY 10 -8.493 6.662 0.181 6 H THR 11 HN THR 11 -8.273 4.278 -1.244 7 HA THR 11 HA THR 11 -10.840 2.996 -1.389 8 HB THR 11 HB THR 11 -8.217 1.550 -1.478 9 HG1 THR 11 HG1 THR 11 -9.520 2.919 -3.630 10 HG21 THR 11 HG21 THR 11 -10.218 0.191 -1.415 11 HG22 THR 11 HG22 THR 11 -9.477 0.094 -3.018 12 HG23 THR 11 HG23 THR 11 -10.906 1.096 -2.763 13 H TYR 12 HN TYR 12 -10.789 3.805 1.127 14 HA TYR 12 HA TYR 12 -11.401 3.047 3.174 15 HB2 TYR 12 HB2 TYR 12 -11.730 0.304 2.152 16 HB3 TYR 12 HB1 TYR 12 -12.803 1.261 3.159 17 HD1 TYR 12 HD2 TYR 12 -14.096 3.171 2.011 18 HD2 TYR 12 HD1 TYR 12 -12.088 0.085 -0.100 19 HE1 TYR 12 HE2 TYR 12 -15.448 3.660 0.019 20 HE2 TYR 12 HE1 TYR 12 -13.415 0.550 -2.084 21 HH TYR 12 HH TYR 12 -15.550 1.571 -2.687 22 H ARG 13 HN ARG 13 -11.264 1.036 4.731 23 HA ARG 13 HA ARG 13 -9.235 -0.901 4.282 24 HB2 ARG 13 HB2 ARG 13 -7.727 0.792 5.191 25 HB3 ARG 13 HB1 ARG 13 -8.788 1.012 6.584 26 HG2 ARG 13 HG2 ARG 13 -8.453 -1.525 6.942 27 HG3 ARG 13 HG1 ARG 13 -7.048 -1.332 5.901 28 HD2 ARG 13 HD2 ARG 13 -5.860 -0.540 7.582 29 HD3 ARG 13 HD1 ARG 13 -7.068 0.711 7.906 30 HE ARG 13 HE ARG 13 -7.678 -1.960 8.894 31 HH11 ARG 13 HH11 ARG 13 -6.358 1.203 9.637 32 HH12 ARG 13 HH12 ARG 13 -6.597 1.035 11.345 33 HH21 ARG 13 HH21 ARG 13 -7.978 -2.175 11.149 34 HH22 ARG 13 HH22 ARG 13 -7.497 -0.881 12.203 35 H GLY 14 HN GLY 14 -9.669 -2.741 5.458 36 HA2 GLY 14 HA2 GLY 14 -10.517 -4.046 7.173 37 HA3 GLY 14 HA1 GLY 14 -11.102 -2.589 7.950 38 H ARG 15 HN ARG 15 -12.611 -1.803 5.500 39 HA ARG 15 HA ARG 15 -15.005 -3.191 6.210 40 HB2 ARG 15 HB2 ARG 15 -16.057 -1.667 4.465 41 HB3 ARG 15 HB1 ARG 15 -15.296 -0.878 5.835 42 HG2 ARG 15 HG2 ARG 15 -14.496 0.418 4.163 43 HG3 ARG 15 HG1 ARG 15 -13.225 -0.800 4.213 44 HD2 ARG 15 HD2 ARG 15 -13.775 -0.437 1.930 45 HD3 ARG 15 HD1 ARG 15 -14.443 -2.017 2.387 46 HE ARG 15 HE ARG 15 -16.157 0.381 2.406 47 HH11 ARG 15 HH11 ARG 15 -15.440 -2.815 1.153 48 HH12 ARG 15 HH12 ARG 15 -16.920 -2.929 0.254 49 HH21 ARG 15 HH21 ARG 15 -18.089 0.232 1.224 50 HH22 ARG 15 HH22 ARG 15 -18.426 -1.197 0.297 51 H GLY 16 HN GLY 16 -13.445 -5.123 5.281 52 HA2 GLY 16 HA2 GLY 16 -13.421 -6.870 3.775 53 HA3 GLY 16 HA1 GLY 16 -14.897 -6.192 3.092 54 H VAL 17 HN VAL 17 -11.929 -4.425 3.406 55 HA VAL 17 HA VAL 17 -12.002 -3.388 0.855 56 HB VAL 17 HB VAL 17 -9.434 -3.040 1.142 57 HG11 VAL 17 HG11 VAL 17 -9.921 -1.090 2.448 58 HG12 VAL 17 HG12 VAL 17 -11.431 -1.804 3.021 59 HG13 VAL 17 HG13 VAL 17 -11.237 -1.401 1.309 60 HG21 VAL 17 HG21 VAL 17 -10.286 -4.025 3.865 61 HG22 VAL 17 HG22 VAL 17 -8.869 -3.011 3.605 62 HG23 VAL 17 HG23 VAL 17 -8.959 -4.610 2.855 63 H ALA 18 HN ALA 18 -11.590 -3.971 -1.003 64 HA ALA 18 HA ALA 18 -9.922 -6.346 -1.479 65 HB1 ALA 18 HB1 ALA 18 -12.007 -5.107 -3.279 66 HB2 ALA 18 HB2 ALA 18 -12.202 -6.586 -2.339 67 HB3 ALA 18 HB3 ALA 18 -11.033 -6.528 -3.657 68 H LEU 19 HN LEU 19 -10.119 -3.020 -1.613 69 HA LEU 19 HA LEU 19 -8.720 -1.392 -2.290 70 HB2 LEU 19 HB2 LEU 19 -7.198 -2.936 -1.144 71 HB3 LEU 19 HB1 LEU 19 -6.881 -3.731 -2.637 72 HG LEU 19 HG LEU 19 -5.126 -2.217 -1.742 73 HD11 LEU 19 HD11 LEU 19 -4.710 -2.785 -3.876 74 HD12 LEU 19 HD12 LEU 19 -4.872 -1.035 -4.026 75 HD13 LEU 19 HD13 LEU 19 -6.210 -2.090 -4.475 76 HD21 LEU 19 HD21 LEU 19 -6.615 -0.449 -0.988 77 HD22 LEU 19 HD22 LEU 19 -6.975 -0.061 -2.671 78 HD23 LEU 19 HD23 LEU 19 -5.333 0.136 -2.045 79 H THR 20 HN THR 20 -7.486 -0.590 -4.413 80 HA THR 20 HA THR 20 -8.944 -1.318 -6.681 81 HB THR 20 HB THR 20 -7.854 0.859 -6.558 82 HG1 THR 20 HG1 THR 20 -6.884 0.777 -8.717 83 HG21 THR 20 HG21 THR 20 -5.543 1.204 -6.650 84 HG22 THR 20 HG22 THR 20 -5.226 -0.479 -7.097 85 HG23 THR 20 HG23 THR 20 -5.757 -0.088 -5.462 86 H ASP 21 HN ASP 21 -7.377 -1.893 -8.777 87 HA ASP 21 HA ASP 21 -7.308 -4.703 -8.415 88 HB2 ASP 21 HB2 ASP 21 -8.023 -3.750 -10.522 89 HB3 ASP 21 HB1 ASP 21 -6.444 -3.011 -10.764 90 H ASP 22 HN ASP 22 -4.669 -2.449 -9.258 91 HA ASP 22 HA ASP 22 -2.752 -4.553 -9.370 92 HB2 ASP 22 HB2 ASP 22 -2.603 -2.422 -10.657 93 HB3 ASP 22 HB1 ASP 22 -2.244 -1.587 -9.153 94 H GLU 23 HN GLU 23 -2.982 -1.802 -7.158 95 HA GLU 23 HA GLU 23 -0.973 -2.319 -5.434 96 HB2 GLU 23 HB2 GLU 23 -3.450 -0.878 -5.282 97 HB3 GLU 23 HB1 GLU 23 -2.995 -1.489 -3.695 98 HG2 GLU 23 HG2 GLU 23 -1.812 0.425 -3.610 99 HG3 GLU 23 HG1 GLU 23 -0.647 -0.439 -4.611 100 H TYR 24 HN TYR 24 -4.160 -3.931 -5.208 101 HA TYR 24 HA TYR 24 -3.639 -5.115 -2.692 102 HB2 TYR 24 HB2 TYR 24 -5.885 -4.811 -3.774 103 HB3 TYR 24 HB1 TYR 24 -5.485 -6.138 -4.859 104 HD1 TYR 24 HD2 TYR 24 -5.181 -8.430 -3.947 105 HD2 TYR 24 HD1 TYR 24 -6.702 -5.262 -1.502 106 HE1 TYR 24 HE2 TYR 24 -6.071 -10.078 -2.360 107 HE2 TYR 24 HE1 TYR 24 -7.597 -6.921 0.064 108 HH TYR 24 HH TYR 24 -8.237 -9.197 0.186 109 H ASP 25 HN ASP 25 -3.685 -6.628 -5.897 110 HA ASP 25 HA ASP 25 -2.289 -8.958 -5.367 111 HB2 ASP 25 HB2 ASP 25 -2.203 -7.197 -7.824 112 HB3 ASP 25 HB1 ASP 25 -1.423 -8.772 -7.752 113 H GLU 26 HN GLU 26 -0.998 -5.737 -5.911 114 HA GLU 26 HA GLU 26 1.738 -6.548 -5.858 115 HB2 GLU 26 HB2 GLU 26 0.392 -3.869 -5.653 116 HB3 GLU 26 HB1 GLU 26 2.137 -4.067 -5.630 117 HG2 GLU 26 HG2 GLU 26 0.295 -4.905 -7.855 118 HG3 GLU 26 HG1 GLU 26 1.314 -3.468 -7.841 119 H TRP 27 HN TRP 27 -0.579 -5.738 -3.411 120 HA TRP 27 HA TRP 27 1.210 -5.179 -1.300 121 HB2 TRP 27 HB2 TRP 27 -0.914 -4.693 -0.617 122 HB3 TRP 27 HB1 TRP 27 -1.625 -6.008 -1.542 123 HD1 TRP 27 HD1 TRP 27 0.296 -5.498 1.827 124 HE1 TRP 27 HE1 TRP 27 -0.525 -7.313 3.448 125 HE3 TRP 27 HE3 TRP 27 -2.733 -8.145 -1.348 126 HZ2 TRP 27 HZ2 TRP 27 -2.230 -9.527 3.398 127 HZ3 TRP 27 HZ3 TRP 27 -3.920 -10.114 -0.467 128 HH2 TRP 27 HH2 TRP 27 -3.665 -10.797 1.864 129 H ARG 28 HN ARG 28 -0.009 -8.128 -2.710 130 HA ARG 28 HA ARG 28 1.042 -9.943 -0.855 131 HB2 ARG 28 HB2 ARG 28 0.813 -10.380 -3.840 132 HB3 ARG 28 HB1 ARG 28 0.751 -11.601 -2.572 133 HG2 ARG 28 HG2 ARG 28 -1.364 -10.532 -1.764 134 HG3 ARG 28 HG1 ARG 28 -1.300 -9.484 -3.181 135 HD2 ARG 28 HD2 ARG 28 -1.620 -12.473 -3.105 136 HD3 ARG 28 HD1 ARG 28 -2.745 -11.273 -3.740 137 HE ARG 28 HE ARG 28 -0.116 -11.513 -4.998 138 HH11 ARG 28 HH11 ARG 28 -3.574 -12.047 -5.175 139 HH12 ARG 28 HH12 ARG 28 -3.556 -12.371 -6.877 140 HH21 ARG 28 HH21 ARG 28 -0.093 -11.972 -7.226 141 HH22 ARG 28 HH22 ARG 28 -1.583 -12.342 -8.040 142 H GLU 29 HN GLU 29 2.428 -8.406 -3.747 143 HA GLU 29 HA GLU 29 5.008 -9.578 -3.436 144 HB2 GLU 29 HB2 GLU 29 4.225 -8.558 -5.566 145 HB3 GLU 29 HB1 GLU 29 4.325 -6.973 -4.811 146 HG2 GLU 29 HG2 GLU 29 6.701 -7.191 -4.530 147 HG3 GLU 29 HG1 GLU 29 6.658 -8.853 -5.114 148 H HIS 30 HN HIS 30 3.583 -6.537 -2.317 149 HA HIS 30 HA HIS 30 5.736 -5.350 -1.083 150 HB2 HIS 30 HB2 HIS 30 3.536 -4.288 -1.100 151 HB3 HIS 30 HB1 HIS 30 2.901 -5.526 -0.025 152 HD1 HIS 30 HD1 HIS 30 2.245 -3.815 1.791 153 HD2 HIS 30 HD2 HIS 30 6.287 -3.763 0.849 154 HE1 HIS 30 HE1 HIS 30 3.336 -2.411 3.581 155 HE2 HIS 30 HE2 HIS 30 5.753 -2.261 2.881 156 H ASN 31 HN ASN 31 3.742 -7.994 0.172 157 HA ASN 31 HA ASN 31 4.958 -8.369 2.634 158 HB2 ASN 31 HB2 ASN 31 3.650 -10.265 0.713 159 HB3 ASN 31 HB1 ASN 31 4.421 -10.879 2.170 160 HD21 ASN 31 HD21 ASN 31 1.785 -9.034 0.883 161 HD22 ASN 31 HD22 ASN 31 0.867 -8.956 2.346 162 H ALA 32 HN ALA 32 5.810 -9.764 -0.491 163 HA ALA 32 HA ALA 32 8.070 -11.201 0.368 164 HB1 ALA 32 HB1 ALA 32 6.864 -11.615 -1.725 165 HB2 ALA 32 HB2 ALA 32 8.596 -11.405 -1.971 166 HB3 ALA 32 HB3 ALA 32 7.486 -10.091 -2.363 167 H SER 33 HN SER 33 7.915 -8.154 -1.476 168 HA SER 33 HA SER 33 10.675 -7.793 -1.586 169 HB2 SER 33 HB2 SER 33 9.056 -6.729 -3.117 170 HB3 SER 33 HB1 SER 33 8.535 -5.664 -1.819 171 HG SER 33 HG SER 33 11.190 -5.842 -2.823 172 H ARG 34 HN ARG 34 8.369 -6.557 0.831 173 HA ARG 34 HA ARG 34 10.568 -5.145 2.128 174 HB2 ARG 34 HB2 ARG 34 7.615 -5.090 2.565 175 HB3 ARG 34 HB1 ARG 34 8.731 -4.423 3.749 176 HG2 ARG 34 HG2 ARG 34 8.340 -3.546 0.896 177 HG3 ARG 34 HG1 ARG 34 8.010 -2.631 2.368 178 HD2 ARG 34 HD2 ARG 34 10.683 -3.433 1.245 179 HD3 ARG 34 HD1 ARG 34 10.036 -1.808 1.417 180 HE ARG 34 HE ARG 34 10.098 -2.558 3.958 181 HH11 ARG 34 HH11 ARG 34 12.477 -3.003 1.430 182 HH12 ARG 34 HH12 ARG 34 13.830 -2.948 2.510 183 HH21 ARG 34 HH21 ARG 34 11.893 -2.478 5.398 184 HH22 ARG 34 HH22 ARG 34 13.498 -2.658 4.767 185 H LYS 35 HN LYS 35 9.405 -8.188 2.145 186 HA LYS 35 HA LYS 35 9.924 -9.994 3.380 187 HB2 LYS 35 HB2 LYS 35 11.907 -8.103 4.601 188 HB3 LYS 35 HB1 LYS 35 11.889 -9.837 4.895 189 HG2 LYS 35 HG2 LYS 35 12.134 -8.602 2.169 190 HG3 LYS 35 HG1 LYS 35 13.515 -9.085 3.157 191 HD2 LYS 35 HD2 LYS 35 12.742 -11.385 3.145 192 HD3 LYS 35 HD1 LYS 35 11.298 -10.920 2.245 193 HE2 LYS 35 HE2 LYS 35 12.957 -11.910 0.767 194 HE3 LYS 35 HE1 LYS 35 12.697 -10.213 0.369 195 HZ1 LYS 35 HZ1 LYS 35 15.055 -10.880 0.378 196 HZ2 LYS 35 HZ2 LYS 35 14.941 -11.213 2.031 197 HZ3 LYS 35 HZ3 LYS 35 14.722 -9.633 1.471 198 H LEU 36 HN LEU 36 7.869 -8.100 4.306 199 HA LEU 36 HA LEU 36 7.773 -8.805 7.141 200 HB2 LEU 36 HB2 LEU 36 5.683 -7.116 6.827 201 HB3 LEU 36 HB1 LEU 36 7.314 -6.572 7.206 202 HG LEU 36 HG LEU 36 7.694 -6.187 4.776 203 HD11 LEU 36 HD11 LEU 36 4.809 -6.985 4.642 204 HD12 LEU 36 HD12 LEU 36 6.179 -7.670 3.770 205 HD13 LEU 36 HD13 LEU 36 5.610 -6.048 3.380 206 HD21 LEU 36 HD21 LEU 36 6.478 -4.150 4.646 207 HD22 LEU 36 HD22 LEU 36 6.937 -4.403 6.333 208 HD23 LEU 36 HD23 LEU 36 5.276 -4.726 5.815 209 H ASP 37 HN ASP 37 5.112 -8.721 7.553 210 HA ASP 37 HA ASP 37 3.862 -10.635 5.734 211 HB2 ASP 37 HB2 ASP 37 5.075 -11.905 7.565 212 HB3 ASP 37 HB1 ASP 37 4.010 -11.118 8.723 213 H LEU 38 HN LEU 38 3.256 -8.146 5.727 214 HA LEU 38 HA LEU 38 1.443 -7.303 7.790 215 HB2 LEU 38 HB2 LEU 38 1.694 -5.223 6.888 216 HB3 LEU 38 HB1 LEU 38 3.132 -5.961 6.245 217 HG LEU 38 HG LEU 38 0.585 -5.937 4.710 218 HD11 LEU 38 HD11 LEU 38 1.433 -3.856 3.647 219 HD12 LEU 38 HD12 LEU 38 2.647 -3.766 4.926 220 HD13 LEU 38 HD13 LEU 38 0.932 -3.655 5.326 221 HD21 LEU 38 HD21 LEU 38 3.445 -5.851 3.783 222 HD22 LEU 38 HD22 LEU 38 2.010 -6.209 2.822 223 HD23 LEU 38 HD23 LEU 38 2.563 -7.353 4.050 224 H SER 39 HN SER 39 -0.785 -6.859 7.516 225 HA SER 39 HA SER 39 -2.059 -8.574 5.557 226 HB2 SER 39 HB2 SER 39 -3.397 -6.754 7.553 227 HB3 SER 39 HB1 SER 39 -4.108 -8.133 6.726 228 HG SER 39 HG SER 39 -1.842 -8.770 8.115 229 H VAL 40 HN VAL 40 -4.056 -7.552 4.406 230 HA VAL 40 HA VAL 40 -2.947 -5.667 2.650 231 HB VAL 40 HB VAL 40 -4.989 -7.405 2.429 232 HG11 VAL 40 HG11 VAL 40 -6.336 -4.721 2.720 233 HG12 VAL 40 HG12 VAL 40 -6.622 -6.162 3.695 234 HG13 VAL 40 HG13 VAL 40 -7.075 -6.148 1.989 235 HG21 VAL 40 HG21 VAL 40 -4.541 -4.928 0.810 236 HG22 VAL 40 HG22 VAL 40 -5.404 -6.369 0.269 237 HG23 VAL 40 HG23 VAL 40 -3.686 -6.468 0.671 238 H GLU 41 HN GLU 41 -5.357 -5.356 5.180 239 HA GLU 41 HA GLU 41 -6.072 -2.734 4.934 240 HB2 GLU 41 HB2 GLU 41 -5.433 -4.120 7.546 241 HB3 GLU 41 HB1 GLU 41 -6.443 -2.691 7.344 242 HG2 GLU 41 HG2 GLU 41 -8.022 -4.016 6.013 243 HG3 GLU 41 HG1 GLU 41 -7.024 -5.446 6.286 244 H ASP 42 HN ASP 42 -3.261 -3.923 6.796 245 HA ASP 42 HA ASP 42 -2.130 -1.527 7.480 246 HB2 ASP 42 HB2 ASP 42 -0.609 -3.994 6.605 247 HB3 ASP 42 HB1 ASP 42 -0.005 -2.706 7.632 248 H PHE 43 HN PHE 43 -1.699 -3.345 4.453 249 HA PHE 43 HA PHE 43 0.131 -1.605 3.219 250 HB2 PHE 43 HB2 PHE 43 -0.269 -3.765 2.237 251 HB3 PHE 43 HB1 PHE 43 -1.976 -3.410 2.025 252 HD1 PHE 43 HD2 PHE 43 -2.529 -1.378 0.417 253 HD2 PHE 43 HD1 PHE 43 1.182 -3.479 0.447 254 HE1 PHE 43 HE2 PHE 43 -2.083 -0.601 -1.856 255 HE2 PHE 43 HE1 PHE 43 1.621 -2.710 -1.850 256 HZ PHE 43 HZ PHE 43 -0.024 -1.277 -3.008 257 H LEU 44 HN LEU 44 -3.360 -1.851 2.944 258 HA LEU 44 HA LEU 44 -3.802 0.222 1.191 259 HB2 LEU 44 HB2 LEU 44 -5.722 -0.463 3.412 260 HB3 LEU 44 HB1 LEU 44 -6.110 0.116 1.800 261 HG LEU 44 HG LEU 44 -5.414 -2.621 2.717 262 HD11 LEU 44 HD11 LEU 44 -7.700 -2.179 2.363 263 HD12 LEU 44 HD12 LEU 44 -7.145 -3.164 0.996 264 HD13 LEU 44 HD13 LEU 44 -7.384 -1.419 0.803 265 HD21 LEU 44 HD21 LEU 44 -4.648 -1.479 0.072 266 HD22 LEU 44 HD22 LEU 44 -5.117 -3.173 0.226 267 HD23 LEU 44 HD23 LEU 44 -3.748 -2.551 1.146 268 H MET 45 HN MET 45 -3.322 0.313 4.655 269 HA MET 45 HA MET 45 -3.880 3.092 4.957 270 HB2 MET 45 HB2 MET 45 -2.207 1.226 6.632 271 HB3 MET 45 HB1 MET 45 -2.555 2.892 7.074 272 HG2 MET 45 HG2 MET 45 -4.997 2.279 6.898 273 HG3 MET 45 HG1 MET 45 -4.464 0.602 6.807 274 HE1 MET 45 HE1 MET 45 -3.310 -0.709 8.837 275 HE2 MET 45 HE2 MET 45 -2.706 0.113 10.275 276 HE3 MET 45 HE3 MET 45 -2.004 0.467 8.696 277 H LEU 46 HN LEU 46 -0.739 1.378 4.881 278 HA LEU 46 HA LEU 46 0.975 3.514 4.761 279 HB2 LEU 46 HB2 LEU 46 1.270 1.060 3.026 280 HB3 LEU 46 HB1 LEU 46 2.552 2.114 3.584 281 HG LEU 46 HG LEU 46 0.964 0.132 5.188 282 HD11 LEU 46 HD11 LEU 46 3.042 -0.923 5.568 283 HD12 LEU 46 HD12 LEU 46 3.930 0.429 4.868 284 HD13 LEU 46 HD13 LEU 46 2.936 -0.599 3.837 285 HD21 LEU 46 HD21 LEU 46 1.280 2.353 6.368 286 HD22 LEU 46 HD22 LEU 46 3.017 2.023 6.298 287 HD23 LEU 46 HD23 LEU 46 1.946 0.930 7.174 288 H ARG 47 HN ARG 47 -0.485 1.882 2.006 289 HA ARG 47 HA ARG 47 0.309 3.567 -0.053 290 HB2 ARG 47 HB2 ARG 47 -0.710 1.487 -0.556 291 HB3 ARG 47 HB1 ARG 47 -2.137 1.871 0.389 292 HG2 ARG 47 HG2 ARG 47 -2.303 3.829 -1.376 293 HG3 ARG 47 HG1 ARG 47 -1.418 2.671 -2.368 294 HD2 ARG 47 HD2 ARG 47 -3.190 0.990 -1.586 295 HD3 ARG 47 HD1 ARG 47 -4.105 2.409 -1.066 296 HE ARG 47 HE ARG 47 -3.159 2.174 -3.853 297 HH11 ARG 47 HH11 ARG 47 -5.782 2.526 -1.555 298 HH12 ARG 47 HH12 ARG 47 -6.990 2.739 -2.786 299 HH21 ARG 47 HH21 ARG 47 -4.711 2.466 -5.437 300 HH22 ARG 47 HH22 ARG 47 -6.371 2.720 -4.990 301 H HIS 48 HN HIS 48 -2.803 3.530 1.602 302 HA HIS 48 HA HIS 48 -4.085 5.737 0.822 303 HB2 HIS 48 HB2 HIS 48 -3.911 4.271 3.300 304 HB3 HIS 48 HB1 HIS 48 -4.305 5.964 3.590 305 HD1 HIS 48 HD1 HIS 48 -6.633 5.066 4.427 306 HD2 HIS 48 HD2 HIS 48 -5.839 4.487 0.401 307 HE1 HIS 48 HE1 HIS 48 -8.808 4.338 3.418 308 HE2 HIS 48 HE2 HIS 48 -8.203 3.649 1.077 309 H ARG 49 HN ARG 49 -1.696 5.914 3.489 310 HA ARG 49 HA ARG 49 -2.029 8.689 3.824 311 HB2 ARG 49 HB2 ARG 49 0.424 7.126 4.534 312 HB3 ARG 49 HB1 ARG 49 -0.172 8.605 5.290 313 HG2 ARG 49 HG2 ARG 49 -2.253 7.274 5.878 314 HG3 ARG 49 HG1 ARG 49 -1.334 5.839 5.422 315 HD2 ARG 49 HD2 ARG 49 0.439 6.998 7.007 316 HD3 ARG 49 HD1 ARG 49 -1.030 7.641 7.733 317 HE ARG 49 HE ARG 49 -0.212 4.827 7.629 318 HH11 ARG 49 HH11 ARG 49 -2.616 7.207 8.564 319 HH12 ARG 49 HH12 ARG 49 -3.379 6.160 9.718 320 HH21 ARG 49 HH21 ARG 49 -1.210 3.467 9.173 321 HH22 ARG 49 HH22 ARG 49 -2.570 4.048 10.078 322 H ALA 50 HN ALA 50 0.302 6.830 2.008 323 HA ALA 50 HA ALA 50 1.854 8.948 0.987 324 HB1 ALA 50 HB1 ALA 50 1.257 6.315 -0.360 325 HB2 ALA 50 HB2 ALA 50 2.524 6.586 0.836 326 HB3 ALA 50 HB3 ALA 50 2.600 7.399 -0.727 327 H ALA 51 HN ALA 51 -0.809 7.195 -0.607 328 HA ALA 51 HA ALA 51 -1.192 8.810 -2.788 329 HB1 ALA 51 HB1 ALA 51 -3.419 7.835 -2.900 330 HB2 ALA 51 HB2 ALA 51 -3.282 7.302 -1.226 331 HB3 ALA 51 HB3 ALA 51 -2.224 6.616 -2.458 332 H LEU 52 HN LEU 52 -2.701 9.122 0.418 333 HA LEU 52 HA LEU 52 -4.437 11.217 -0.538 334 HB2 LEU 52 HB2 LEU 52 -4.127 10.443 2.350 335 HB3 LEU 52 HB1 LEU 52 -5.538 11.083 1.525 336 HG LEU 52 HG LEU 52 -4.407 8.318 1.137 337 HD11 LEU 52 HD11 LEU 52 -6.366 7.516 2.272 338 HD12 LEU 52 HD12 LEU 52 -6.944 9.169 2.506 339 HD13 LEU 52 HD13 LEU 52 -5.477 8.625 3.319 340 HD21 LEU 52 HD21 LEU 52 -6.871 9.610 0.009 341 HD22 LEU 52 HD22 LEU 52 -6.434 7.901 -0.152 342 HD23 LEU 52 HD23 LEU 52 -5.420 9.150 -0.884 343 H GLY 53 HN GLY 53 -2.360 11.246 2.399 344 HA2 GLY 53 HA2 GLY 53 -0.500 13.079 1.575 345 HA3 GLY 53 HA1 GLY 53 -1.876 14.050 2.060 346 H ALA 54 HN ALA 54 -0.824 11.030 3.602 347 HA ALA 54 HA ALA 54 -0.202 12.609 5.997 348 HB1 ALA 54 HB1 ALA 54 -0.868 10.593 7.298 349 HB2 ALA 54 HB2 ALA 54 -1.443 9.877 5.792 350 HB3 ALA 54 HB3 ALA 54 -2.188 11.349 6.409 351 H ASP 55 HN ASP 55 1.587 12.010 7.212 352 HA ASP 55 HA ASP 55 3.497 10.335 5.726 353 HB2 ASP 55 HB2 ASP 55 4.007 12.903 7.227 354 HB3 ASP 55 HB1 ASP 55 5.283 11.850 6.626 355 H ASP 56 HN ASP 56 1.924 9.189 7.711 356 HA ASP 56 HA ASP 56 3.450 8.765 10.062 357 HB2 ASP 56 HB2 ASP 56 1.107 7.991 9.834 358 HB3 ASP 56 HB1 ASP 56 1.631 6.819 8.631 359 H ASN 57 HN ASN 57 5.338 7.747 10.311 360 HA ASN 57 HA ASN 57 7.080 7.295 8.387 361 HB2 ASN 57 HB2 ASN 57 8.332 5.809 9.858 362 HB3 ASN 57 HB1 ASN 57 7.803 7.288 10.643 363 HD21 ASN 57 HD21 ASN 57 7.639 3.859 10.598 364 HD22 ASN 57 HD22 ASN 57 6.655 3.664 12.002 365 H ASP 58 HN ASP 58 4.892 4.645 9.437 366 HA ASP 58 HA ASP 58 6.329 2.694 7.933 367 HB2 ASP 58 HB2 ASP 58 3.589 2.743 9.144 368 HB3 ASP 58 HB1 ASP 58 4.075 1.422 8.083 369 H ALA 59 HN ALA 59 3.698 4.790 7.284 370 HA ALA 59 HA ALA 59 3.178 3.957 4.621 371 HB1 ALA 59 HB1 ALA 59 2.732 6.664 5.848 372 HB2 ALA 59 HB2 ALA 59 1.601 5.301 5.900 373 HB3 ALA 59 HB3 ALA 59 2.013 6.057 4.356 374 H VAL 60 HN VAL 60 5.510 6.247 6.009 375 HA VAL 60 HA VAL 60 6.128 7.359 3.444 376 HB VAL 60 HB VAL 60 7.765 8.680 4.432 377 HG11 VAL 60 HG11 VAL 60 6.767 9.581 6.494 378 HG12 VAL 60 HG12 VAL 60 5.692 8.181 6.546 379 HG13 VAL 60 HG13 VAL 60 5.593 9.322 5.204 380 HG21 VAL 60 HG21 VAL 60 8.768 8.282 6.646 381 HG22 VAL 60 HG22 VAL 60 9.153 7.046 5.445 382 HG23 VAL 60 HG23 VAL 60 7.947 6.719 6.690 383 H LYS 61 HN LYS 61 7.514 4.885 5.537 384 HA LYS 61 HA LYS 61 9.741 4.258 3.919 385 HB2 LYS 61 HB2 LYS 61 8.124 2.493 5.753 386 HB3 LYS 61 HB1 LYS 61 9.761 2.176 5.192 387 HG2 LYS 61 HG2 LYS 61 10.690 3.741 6.570 388 HG3 LYS 61 HG1 LYS 61 9.226 4.739 6.602 389 HD2 LYS 61 HD2 LYS 61 9.855 3.435 8.737 390 HD3 LYS 61 HD1 LYS 61 8.186 3.346 8.179 391 HE2 LYS 61 HE2 LYS 61 8.694 1.208 7.082 392 HE3 LYS 61 HE1 LYS 61 10.339 1.291 7.705 393 HZ1 LYS 61 HZ1 LYS 61 9.377 1.309 9.969 394 HZ2 LYS 61 HZ2 LYS 61 9.056 -0.113 9.117 395 HZ3 LYS 61 HZ3 LYS 61 7.839 1.050 9.298 396 H PHE 62 HN PHE 62 6.394 3.181 3.947 397 HA PHE 62 HA PHE 62 6.543 1.211 1.959 398 HB2 PHE 62 HB2 PHE 62 4.532 1.515 3.310 399 HB3 PHE 62 HB1 PHE 62 4.300 3.128 2.645 400 HD1 PHE 62 HD2 PHE 62 4.097 -0.481 1.930 401 HD2 PHE 62 HD1 PHE 62 3.358 3.454 0.489 402 HE1 PHE 62 HE2 PHE 62 2.711 -1.408 0.129 403 HE2 PHE 62 HE1 PHE 62 1.965 2.530 -1.315 404 HZ PHE 62 HZ PHE 62 1.662 0.048 -1.486 405 H ARG 63 HN ARG 63 5.614 4.624 1.741 406 HA ARG 63 HA ARG 63 5.513 4.951 -0.964 407 HB2 ARG 63 HB2 ARG 63 4.834 6.689 0.504 408 HB3 ARG 63 HB1 ARG 63 6.402 6.761 1.274 409 HG2 ARG 63 HG2 ARG 63 6.158 7.463 -1.611 410 HG3 ARG 63 HG1 ARG 63 5.642 8.618 -0.381 411 HD2 ARG 63 HD2 ARG 63 7.984 8.107 0.676 412 HD3 ARG 63 HD1 ARG 63 8.369 7.526 -0.944 413 HE ARG 63 HE ARG 63 7.176 10.090 -1.040 414 HH11 ARG 63 HH11 ARG 63 10.198 8.490 -0.309 415 HH12 ARG 63 HH12 ARG 63 11.170 9.841 -0.781 416 HH21 ARG 63 HH21 ARG 63 8.448 11.871 -1.654 417 HH22 ARG 63 HH22 ARG 63 10.175 11.775 -1.530 418 H SER 64 HN SER 64 8.350 5.763 0.996 419 HA SER 64 HA SER 64 10.223 6.240 -0.830 420 HB2 SER 64 HB2 SER 64 10.616 4.557 1.645 421 HB3 SER 64 HB1 SER 64 11.917 5.339 0.746 422 HG SER 64 HG SER 64 9.865 6.488 2.300 423 H TRP 65 HN TRP 65 9.277 2.942 0.092 424 HA TRP 65 HA TRP 65 11.159 1.748 -1.726 425 HB2 TRP 65 HB2 TRP 65 10.888 0.434 0.142 426 HB3 TRP 65 HB1 TRP 65 9.170 0.781 0.266 427 HD1 TRP 65 HD1 TRP 65 11.608 -1.540 -1.592 428 HE1 TRP 65 HE1 TRP 65 10.270 -3.581 -2.446 429 HE3 TRP 65 HE3 TRP 65 6.978 0.059 -0.393 430 HZ2 TRP 65 HZ2 TRP 65 7.550 -4.365 -2.592 431 HZ3 TRP 65 HZ3 TRP 65 5.036 -1.373 -0.904 432 HH2 TRP 65 HH2 TRP 65 5.323 -3.548 -1.975 433 H TRP 66 HN TRP 66 7.658 2.135 -1.607 434 HA TRP 66 HA TRP 66 7.227 0.519 -3.937 435 HB2 TRP 66 HB2 TRP 66 5.666 0.735 -1.959 436 HB3 TRP 66 HB1 TRP 66 5.264 2.344 -2.539 437 HD1 TRP 66 HD1 TRP 66 3.062 2.327 -3.767 438 HE1 TRP 66 HE1 TRP 66 1.798 0.716 -5.315 439 HE3 TRP 66 HE3 TRP 66 6.387 -1.519 -3.808 440 HZ2 TRP 66 HZ2 TRP 66 2.165 -1.809 -6.408 441 HZ3 TRP 66 HZ3 TRP 66 5.869 -3.515 -5.141 442 HH2 TRP 66 HH2 TRP 66 3.794 -3.663 -6.420 443 H ASN 67 HN ASN 67 7.803 3.868 -3.374 444 HA ASN 67 HA ASN 67 6.567 4.640 -5.906 445 HB2 ASN 67 HB2 ASN 67 7.548 6.151 -3.534 446 HB3 ASN 67 HB1 ASN 67 7.388 6.971 -5.084 447 HD21 ASN 67 HD21 ASN 67 5.697 5.226 -2.593 448 HD22 ASN 67 HD22 ASN 67 4.123 5.812 -2.984 449 H SER 68 HN SER 68 9.448 3.471 -4.933 450 HA SER 68 HA SER 68 10.960 5.048 -6.862 451 HB2 SER 68 HB2 SER 68 11.857 2.787 -5.043 452 HB3 SER 68 HB1 SER 68 12.912 3.741 -6.086 453 HG SER 68 HG SER 68 11.808 4.371 -3.638 454 H ARG 69 HN ARG 69 8.967 2.408 -6.710 455 HA ARG 69 HA ARG 69 10.255 1.062 -8.975 456 HB2 ARG 69 HB2 ARG 69 8.866 -0.962 -8.107 457 HB3 ARG 69 HB1 ARG 69 10.380 -0.557 -7.330 458 HG2 ARG 69 HG2 ARG 69 9.194 0.545 -5.532 459 HG3 ARG 69 HG1 ARG 69 7.657 0.214 -6.331 460 HD2 ARG 69 HD2 ARG 69 8.127 -1.371 -4.527 461 HD3 ARG 69 HD1 ARG 69 8.011 -2.163 -6.097 462 HE ARG 69 HE ARG 69 10.646 -1.467 -5.006 463 HH11 ARG 69 HH11 ARG 69 8.322 -3.884 -6.009 464 HH12 ARG 69 HH12 ARG 69 9.454 -5.189 -5.934 465 HH21 ARG 69 HH21 ARG 69 12.139 -3.184 -4.898 466 HH22 ARG 69 HH22 ARG 69 11.631 -4.793 -5.293 467 H THR 70 HN THR 70 7.138 1.345 -7.373 468 HA THR 70 HA THR 70 5.726 1.069 -9.926 469 HB THR 70 HB THR 70 4.644 1.083 -7.123 470 HG1 THR 70 HG1 THR 70 4.849 -1.324 -8.505 471 HG21 THR 70 HG21 THR 70 2.975 1.520 -8.823 472 HG22 THR 70 HG22 THR 70 2.728 -0.073 -8.113 473 HG23 THR 70 HG23 THR 70 3.469 0.078 -9.709 474 H LYS 71 HN LYS 71 5.468 2.908 -6.936 475 HA LYS 71 HA LYS 71 4.729 4.985 -6.427 476 HB2 LYS 71 HB2 LYS 71 4.531 5.510 -9.366 477 HB3 LYS 71 HB1 LYS 71 4.475 6.680 -8.069 478 HG2 LYS 71 HG2 LYS 71 6.783 5.955 -7.427 479 HG3 LYS 71 HG1 LYS 71 6.823 5.029 -8.924 480 HD2 LYS 71 HD2 LYS 71 7.943 7.187 -9.151 481 HD3 LYS 71 HD1 LYS 71 6.528 7.075 -10.210 482 HE2 LYS 71 HE2 LYS 71 5.216 8.360 -8.599 483 HE3 LYS 71 HE1 LYS 71 6.608 8.447 -7.522 484 HZ1 LYS 71 HZ1 LYS 71 6.383 10.474 -8.766 485 HZ2 LYS 71 HZ2 LYS 71 6.406 9.636 -10.235 486 HZ3 LYS 71 HZ3 LYS 71 7.786 9.672 -9.259 487 H MET 72 HN MET 72 3.197 2.570 -7.358 488 HA MET 72 HA MET 72 1.090 1.800 -7.371 489 HB2 MET 72 HB2 MET 72 -0.331 2.873 -5.559 490 HB3 MET 72 HB1 MET 72 1.219 2.210 -5.093 491 HG2 MET 72 HG2 MET 72 1.325 4.140 -3.991 492 HG3 MET 72 HG1 MET 72 1.977 4.694 -5.529 493 HE1 MET 72 HE1 MET 72 0.753 6.633 -3.257 494 HE2 MET 72 HE2 MET 72 -0.098 7.768 -4.305 495 HE3 MET 72 HE3 MET 72 1.492 7.162 -4.767 496 H ALA 73 HN ALA 73 -1.326 2.972 -6.797 497 HA ALA 73 HA ALA 73 -1.953 4.764 -8.946 498 HB1 ALA 73 HB1 ALA 73 -2.083 2.619 -10.051 499 HB2 ALA 73 HB2 ALA 73 -3.708 3.246 -9.795 500 HB3 ALA 73 HB3 ALA 73 -3.079 1.980 -8.744 501 H ASN 74 HN ASN 74 -2.272 6.029 -7.164 502 HA ASN 74 HA ASN 74 -3.214 5.994 -4.810 503 HB2 ASN 74 HB2 ASN 74 -4.340 7.841 -6.918 504 HB3 ASN 74 HB1 ASN 74 -4.491 8.117 -5.185 505 HD21 ASN 74 HD21 ASN 74 -2.800 8.921 -4.073 506 HD22 ASN 74 HD22 ASN 74 -1.275 9.341 -4.766 507 H ASP 75 HN ASP 75 -5.735 6.008 -7.364 508 HA ASP 75 HA ASP 75 -6.985 3.769 -6.144 509 HB2 ASP 75 HB2 ASP 75 -9.211 4.819 -5.724 510 HB3 ASP 75 HB1 ASP 75 -7.964 5.384 -4.622 511 H TYR 76 HN TYR 76 -5.857 4.152 -8.550 512 HA TYR 76 HA TYR 76 -7.997 4.590 -10.479 513 HB2 TYR 76 HB2 TYR 76 -5.072 4.007 -10.896 514 HB3 TYR 76 HB1 TYR 76 -6.227 4.453 -12.149 515 HD1 TYR 76 HD1 TYR 76 -7.370 6.744 -11.919 516 HD2 TYR 76 HD2 TYR 76 -3.876 5.664 -9.748 517 HE1 TYR 76 HE1 TYR 76 -6.899 9.111 -11.508 518 HE2 TYR 76 HE2 TYR 76 -3.397 8.028 -9.329 519 HH TYR 76 HH TYR 76 -5.655 10.473 -9.809 Start of MODEL 18 1 H1 GLY 10 HT1 GLY 10 -10.651 8.207 -3.415 2 H2 GLY 10 HT2 GLY 10 -12.036 7.423 -2.851 3 H3 GLY 10 HT3 GLY 10 -11.115 6.723 -4.080 4 HA2 GLY 10 HA1 GLY 10 -9.246 6.468 -2.552 5 HA3 GLY 10 HA2 GLY 10 -10.246 7.151 -1.277 6 H THR 11 HN THR 11 -9.515 4.934 -0.388 7 HA THR 11 HA THR 11 -11.549 2.946 -1.113 8 HB THR 11 HB THR 11 -9.132 1.806 0.052 9 HG1 THR 11 HG1 THR 11 -8.947 2.999 -2.537 10 HG21 THR 11 HG21 THR 11 -10.782 0.386 -0.915 11 HG22 THR 11 HG22 THR 11 -9.364 0.332 -1.969 12 HG23 THR 11 HG23 THR 11 -10.765 1.298 -2.426 13 H TYR 12 HN TYR 12 -10.343 1.263 1.037 14 HA TYR 12 HA TYR 12 -11.347 2.643 3.410 15 HB2 TYR 12 HB2 TYR 12 -12.327 -0.096 2.828 16 HB3 TYR 12 HB1 TYR 12 -13.046 1.153 3.837 17 HD1 TYR 12 HD2 TYR 12 -14.353 2.938 2.844 18 HD2 TYR 12 HD1 TYR 12 -12.749 -0.198 0.493 19 HE1 TYR 12 HE2 TYR 12 -15.862 3.556 1.001 20 HE2 TYR 12 HE1 TYR 12 -14.225 0.394 -1.353 21 HH TYR 12 HH TYR 12 -15.959 3.309 -1.462 22 H ARG 13 HN ARG 13 -11.396 0.684 5.188 23 HA ARG 13 HA ARG 13 -9.440 -1.369 4.747 24 HB2 ARG 13 HB2 ARG 13 -7.953 0.414 5.445 25 HB3 ARG 13 HB1 ARG 13 -8.963 0.741 6.847 26 HG2 ARG 13 HG2 ARG 13 -8.477 -1.534 7.681 27 HG3 ARG 13 HG1 ARG 13 -7.361 -1.756 6.331 28 HD2 ARG 13 HD2 ARG 13 -6.158 -1.110 8.325 29 HD3 ARG 13 HD1 ARG 13 -6.066 0.154 7.103 30 HE ARG 13 HE ARG 13 -7.703 1.407 8.370 31 HH11 ARG 13 HH11 ARG 13 -6.129 -1.243 10.045 32 HH12 ARG 13 HH12 ARG 13 -6.557 -0.656 11.619 33 HH21 ARG 13 HH21 ARG 13 -8.232 2.183 10.425 34 HH22 ARG 13 HH22 ARG 13 -7.743 1.303 11.838 35 H GLY 14 HN GLY 14 -9.678 -3.082 6.193 36 HA2 GLY 14 HA2 GLY 14 -10.813 -4.448 7.642 37 HA3 GLY 14 HA1 GLY 14 -11.027 -3.013 8.630 38 H ARG 15 HN ARG 15 -12.305 -3.833 5.425 39 HA ARG 15 HA ARG 15 -14.952 -4.164 6.469 40 HB2 ARG 15 HB2 ARG 15 -15.934 -2.339 5.044 41 HB3 ARG 15 HB1 ARG 15 -14.991 -1.770 6.408 42 HG2 ARG 15 HG2 ARG 15 -14.117 -0.402 4.876 43 HG3 ARG 15 HG1 ARG 15 -13.084 -1.789 4.541 44 HD2 ARG 15 HD2 ARG 15 -13.956 -0.846 2.479 45 HD3 ARG 15 HD1 ARG 15 -14.600 -2.479 2.741 46 HE ARG 15 HE ARG 15 -16.257 -0.278 3.680 47 HH11 ARG 15 HH11 ARG 15 -15.608 -2.576 1.121 48 HH12 ARG 15 HH12 ARG 15 -17.171 -2.399 0.396 49 HH21 ARG 15 HH21 ARG 15 -18.308 -0.034 2.718 50 HH22 ARG 15 HH22 ARG 15 -18.704 -0.954 1.299 51 H GLY 16 HN GLY 16 -13.329 -5.930 5.200 52 HA2 GLY 16 HA2 GLY 16 -13.417 -7.476 3.488 53 HA3 GLY 16 HA1 GLY 16 -14.889 -6.683 2.936 54 H VAL 17 HN VAL 17 -11.959 -4.917 3.422 55 HA VAL 17 HA VAL 17 -12.073 -3.700 0.928 56 HB VAL 17 HB VAL 17 -9.535 -3.176 1.337 57 HG11 VAL 17 HG11 VAL 17 -11.435 -1.666 1.473 58 HG12 VAL 17 HG12 VAL 17 -10.239 -1.341 2.737 59 HG13 VAL 17 HG13 VAL 17 -11.737 -2.187 3.132 60 HG21 VAL 17 HG21 VAL 17 -9.076 -4.819 3.020 61 HG22 VAL 17 HG22 VAL 17 -10.441 -4.277 4.000 62 HG23 VAL 17 HG23 VAL 17 -9.042 -3.230 3.791 63 H ALA 18 HN ALA 18 -11.559 -4.149 -0.942 64 HA ALA 18 HA ALA 18 -9.709 -6.372 -1.488 65 HB1 ALA 18 HB1 ALA 18 -11.950 -6.717 -2.430 66 HB2 ALA 18 HB2 ALA 18 -10.745 -6.517 -3.703 67 HB3 ALA 18 HB3 ALA 18 -11.822 -5.183 -3.291 68 H LEU 19 HN LEU 19 -10.096 -3.090 -1.373 69 HA LEU 19 HA LEU 19 -8.812 -1.326 -1.914 70 HB2 LEU 19 HB2 LEU 19 -7.202 -2.808 -0.841 71 HB3 LEU 19 HB1 LEU 19 -6.815 -3.512 -2.361 72 HG LEU 19 HG LEU 19 -5.174 -1.960 -1.356 73 HD11 LEU 19 HD11 LEU 19 -4.863 -0.670 -3.535 74 HD12 LEU 19 HD12 LEU 19 -6.193 -1.679 -4.108 75 HD13 LEU 19 HD13 LEU 19 -4.713 -2.423 -3.513 76 HD21 LEU 19 HD21 LEU 19 -6.702 -0.310 -0.512 77 HD22 LEU 19 HD22 LEU 19 -7.155 0.125 -2.160 78 HD23 LEU 19 HD23 LEU 19 -5.505 0.403 -1.590 79 H THR 20 HN THR 20 -7.544 -0.315 -3.938 80 HA THR 20 HA THR 20 -8.933 -0.876 -6.285 81 HB THR 20 HB THR 20 -7.747 1.258 -5.948 82 HG1 THR 20 HG1 THR 20 -6.513 0.696 -8.242 83 HG21 THR 20 HG21 THR 20 -5.354 1.428 -6.387 84 HG22 THR 20 HG22 THR 20 -5.253 -0.331 -6.536 85 HG23 THR 20 HG23 THR 20 -5.667 0.400 -4.986 86 H ASP 21 HN ASP 21 -7.465 -1.441 -8.407 87 HA ASP 21 HA ASP 21 -7.352 -4.252 -8.061 88 HB2 ASP 21 HB2 ASP 21 -7.016 -2.404 -10.369 89 HB3 ASP 21 HB1 ASP 21 -6.473 -4.070 -10.542 90 H ASP 22 HN ASP 22 -4.776 -1.987 -9.063 91 HA ASP 22 HA ASP 22 -2.803 -3.991 -9.275 92 HB2 ASP 22 HB2 ASP 22 -2.526 -1.017 -8.865 93 HB3 ASP 22 HB1 ASP 22 -1.190 -2.086 -9.258 94 H GLU 23 HN GLU 23 -3.023 -1.429 -6.904 95 HA GLU 23 HA GLU 23 -1.032 -2.039 -5.210 96 HB2 GLU 23 HB2 GLU 23 -3.543 -0.623 -4.974 97 HB3 GLU 23 HB1 GLU 23 -2.969 -1.200 -3.411 98 HG2 GLU 23 HG2 GLU 23 -2.047 0.944 -3.644 99 HG3 GLU 23 HG1 GLU 23 -0.728 -0.105 -4.143 100 H TYR 24 HN TYR 24 -4.231 -3.641 -5.000 101 HA TYR 24 HA TYR 24 -3.701 -4.888 -2.516 102 HB2 TYR 24 HB2 TYR 24 -5.956 -4.601 -3.550 103 HB3 TYR 24 HB1 TYR 24 -5.542 -5.852 -4.711 104 HD1 TYR 24 HD2 TYR 24 -5.203 -8.266 -3.903 105 HD2 TYR 24 HD1 TYR 24 -6.707 -5.158 -1.367 106 HE1 TYR 24 HE2 TYR 24 -6.020 -9.939 -2.305 107 HE2 TYR 24 HE1 TYR 24 -7.512 -6.847 0.220 108 HH TYR 24 HH TYR 24 -8.179 -9.230 0.196 109 H ASP 25 HN ASP 25 -3.784 -6.380 -5.730 110 HA ASP 25 HA ASP 25 -2.414 -8.718 -5.266 111 HB2 ASP 25 HB2 ASP 25 -3.265 -8.316 -7.454 112 HB3 ASP 25 HB1 ASP 25 -2.293 -6.866 -7.651 113 H GLU 26 HN GLU 26 -0.978 -5.584 -6.023 114 HA GLU 26 HA GLU 26 1.679 -6.556 -5.826 115 HB2 GLU 26 HB2 GLU 26 0.576 -3.759 -5.925 116 HB3 GLU 26 HB1 GLU 26 2.297 -4.130 -5.923 117 HG2 GLU 26 HG2 GLU 26 1.893 -5.574 -7.931 118 HG3 GLU 26 HG1 GLU 26 0.256 -4.932 -7.977 119 H TRP 27 HN TRP 27 -0.563 -5.501 -3.428 120 HA TRP 27 HA TRP 27 1.244 -4.997 -1.327 121 HB2 TRP 27 HB2 TRP 27 -0.859 -4.528 -0.571 122 HB3 TRP 27 HB1 TRP 27 -1.600 -5.795 -1.537 123 HD1 TRP 27 HD1 TRP 27 0.354 -5.446 1.842 124 HE1 TRP 27 HE1 TRP 27 -0.479 -7.319 3.388 125 HE3 TRP 27 HE3 TRP 27 -2.716 -7.916 -1.426 126 HZ2 TRP 27 HZ2 TRP 27 -2.218 -9.521 3.255 127 HZ3 TRP 27 HZ3 TRP 27 -3.921 -9.905 -0.632 128 HH2 TRP 27 HH2 TRP 27 -3.667 -10.694 1.656 129 H ARG 28 HN ARG 28 -0.029 -7.958 -2.710 130 HA ARG 28 HA ARG 28 1.078 -9.769 -0.871 131 HB2 ARG 28 HB2 ARG 28 0.652 -10.207 -3.837 132 HB3 ARG 28 HB1 ARG 28 0.778 -11.452 -2.601 133 HG2 ARG 28 HG2 ARG 28 -1.289 -10.475 -1.557 134 HG3 ARG 28 HG1 ARG 28 -1.439 -9.459 -2.983 135 HD2 ARG 28 HD2 ARG 28 -1.323 -12.467 -3.037 136 HD3 ARG 28 HD1 ARG 28 -2.814 -11.528 -3.056 137 HE ARG 28 HE ARG 28 -1.130 -10.667 -5.150 138 HH11 ARG 28 HH11 ARG 28 -3.110 -13.394 -4.206 139 HH12 ARG 28 HH12 ARG 28 -3.474 -13.861 -5.834 140 HH21 ARG 28 HH21 ARG 28 -1.606 -11.265 -7.299 141 HH22 ARG 28 HH22 ARG 28 -2.605 -12.663 -7.597 142 H GLU 29 HN GLU 29 2.390 -8.168 -3.715 143 HA GLU 29 HA GLU 29 4.964 -9.414 -3.541 144 HB2 GLU 29 HB2 GLU 29 4.122 -8.411 -5.626 145 HB3 GLU 29 HB1 GLU 29 4.161 -6.823 -4.873 146 HG2 GLU 29 HG2 GLU 29 6.502 -6.787 -4.805 147 HG3 GLU 29 HG1 GLU 29 6.617 -8.520 -5.122 148 H HIS 30 HN HIS 30 3.566 -6.402 -2.360 149 HA HIS 30 HA HIS 30 5.752 -5.234 -1.138 150 HB2 HIS 30 HB2 HIS 30 3.596 -4.124 -1.187 151 HB3 HIS 30 HB1 HIS 30 2.882 -5.374 -0.177 152 HD1 HIS 30 HD1 HIS 30 2.227 -4.009 1.829 153 HD2 HIS 30 HD2 HIS 30 6.180 -3.397 0.723 154 HE1 HIS 30 HE1 HIS 30 3.207 -2.535 3.630 155 HE2 HIS 30 HE2 HIS 30 5.583 -2.119 2.890 156 H ASN 31 HN ASN 31 3.684 -7.847 0.084 157 HA ASN 31 HA ASN 31 4.841 -8.309 2.544 158 HB2 ASN 31 HB2 ASN 31 3.677 -10.193 0.508 159 HB3 ASN 31 HB1 ASN 31 4.322 -10.788 2.033 160 HD21 ASN 31 HD21 ASN 31 3.208 -10.428 3.908 161 HD22 ASN 31 HD22 ASN 31 1.605 -9.775 3.949 162 H ALA 32 HN ALA 32 5.776 -9.697 -0.561 163 HA ALA 32 HA ALA 32 8.045 -11.083 0.330 164 HB1 ALA 32 HB1 ALA 32 8.641 -11.268 -1.990 165 HB2 ALA 32 HB2 ALA 32 7.547 -9.949 -2.410 166 HB3 ALA 32 HB3 ALA 32 6.900 -11.478 -1.807 167 H SER 33 HN SER 33 7.889 -7.993 -1.440 168 HA SER 33 HA SER 33 10.676 -7.680 -1.530 169 HB2 SER 33 HB2 SER 33 9.100 -6.659 -3.133 170 HB3 SER 33 HB1 SER 33 8.558 -5.556 -1.876 171 HG SER 33 HG SER 33 11.209 -5.767 -2.882 172 H ARG 34 HN ARG 34 8.405 -6.690 0.948 173 HA ARG 34 HA ARG 34 10.466 -4.956 2.093 174 HB2 ARG 34 HB2 ARG 34 7.523 -5.126 2.535 175 HB3 ARG 34 HB1 ARG 34 8.570 -4.336 3.707 176 HG2 ARG 34 HG2 ARG 34 8.299 -3.607 0.795 177 HG3 ARG 34 HG1 ARG 34 7.627 -2.718 2.165 178 HD2 ARG 34 HD2 ARG 34 10.529 -3.119 1.464 179 HD3 ARG 34 HD1 ARG 34 9.620 -1.609 1.471 180 HE ARG 34 HE ARG 34 9.419 -2.487 4.037 181 HH11 ARG 34 HH11 ARG 34 12.123 -1.887 1.885 182 HH12 ARG 34 HH12 ARG 34 13.195 -1.428 3.171 183 HH21 ARG 34 HH21 ARG 34 10.852 -1.900 5.717 184 HH22 ARG 34 HH22 ARG 34 12.476 -1.434 5.330 185 H LYS 35 HN LYS 35 9.690 -8.067 2.246 186 HA LYS 35 HA LYS 35 10.098 -9.770 3.666 187 HB2 LYS 35 HB2 LYS 35 12.076 -7.759 4.706 188 HB3 LYS 35 HB1 LYS 35 12.009 -9.413 5.290 189 HG2 LYS 35 HG2 LYS 35 13.716 -9.346 3.662 190 HG3 LYS 35 HG1 LYS 35 12.343 -10.148 2.898 191 HD2 LYS 35 HD2 LYS 35 11.730 -7.881 1.942 192 HD3 LYS 35 HD1 LYS 35 13.309 -7.325 2.495 193 HE2 LYS 35 HE2 LYS 35 12.801 -9.587 0.567 194 HE3 LYS 35 HE1 LYS 35 13.358 -7.971 0.140 195 HZ1 LYS 35 HZ1 LYS 35 14.811 -9.980 1.767 196 HZ2 LYS 35 HZ2 LYS 35 15.332 -8.390 1.535 197 HZ3 LYS 35 HZ3 LYS 35 15.218 -9.441 0.217 198 H LEU 36 HN LEU 36 7.824 -9.004 4.318 199 HA LEU 36 HA LEU 36 7.714 -8.950 7.198 200 HB2 LEU 36 HB2 LEU 36 5.737 -7.190 6.853 201 HB3 LEU 36 HB1 LEU 36 7.399 -6.678 7.133 202 HG LEU 36 HG LEU 36 7.686 -6.312 4.721 203 HD11 LEU 36 HD11 LEU 36 4.854 -7.287 4.635 204 HD12 LEU 36 HD12 LEU 36 6.255 -7.906 3.759 205 HD13 LEU 36 HD13 LEU 36 5.577 -6.331 3.339 206 HD21 LEU 36 HD21 LEU 36 6.246 -4.377 4.521 207 HD22 LEU 36 HD22 LEU 36 6.893 -4.499 6.159 208 HD23 LEU 36 HD23 LEU 36 5.221 -4.982 5.835 209 H ASP 37 HN ASP 37 5.157 -8.932 7.662 210 HA ASP 37 HA ASP 37 3.881 -10.781 5.792 211 HB2 ASP 37 HB2 ASP 37 5.098 -12.046 7.627 212 HB3 ASP 37 HB1 ASP 37 4.010 -11.277 8.776 213 H LEU 38 HN LEU 38 3.369 -8.226 5.903 214 HA LEU 38 HA LEU 38 1.444 -7.453 7.857 215 HB2 LEU 38 HB2 LEU 38 1.664 -5.378 6.942 216 HB3 LEU 38 HB1 LEU 38 3.130 -6.080 6.327 217 HG LEU 38 HG LEU 38 0.613 -6.132 4.742 218 HD11 LEU 38 HD11 LEU 38 2.598 -3.897 5.001 219 HD12 LEU 38 HD12 LEU 38 0.869 -3.844 5.363 220 HD13 LEU 38 HD13 LEU 38 1.419 -4.027 3.696 221 HD21 LEU 38 HD21 LEU 38 2.092 -6.353 2.886 222 HD22 LEU 38 HD22 LEU 38 2.640 -7.491 4.124 223 HD23 LEU 38 HD23 LEU 38 3.491 -5.965 3.886 224 H SER 39 HN SER 39 -0.766 -7.171 7.566 225 HA SER 39 HA SER 39 -1.952 -8.768 5.462 226 HB2 SER 39 HB2 SER 39 -3.329 -7.208 7.646 227 HB3 SER 39 HB1 SER 39 -4.030 -8.482 6.656 228 HG SER 39 HG SER 39 -1.818 -9.428 7.803 229 H VAL 40 HN VAL 40 -4.064 -7.667 4.466 230 HA VAL 40 HA VAL 40 -2.938 -5.701 2.792 231 HB VAL 40 HB VAL 40 -4.968 -7.433 2.465 232 HG11 VAL 40 HG11 VAL 40 -6.345 -4.779 2.877 233 HG12 VAL 40 HG12 VAL 40 -6.595 -6.249 3.819 234 HG13 VAL 40 HG13 VAL 40 -7.070 -6.199 2.122 235 HG21 VAL 40 HG21 VAL 40 -4.532 -4.863 0.997 236 HG22 VAL 40 HG22 VAL 40 -5.407 -6.260 0.375 237 HG23 VAL 40 HG23 VAL 40 -3.687 -6.393 0.754 238 H GLU 41 HN GLU 41 -5.280 -5.549 5.385 239 HA GLU 41 HA GLU 41 -6.158 -2.965 5.213 240 HB2 GLU 41 HB2 GLU 41 -5.407 -4.399 7.775 241 HB3 GLU 41 HB1 GLU 41 -6.538 -3.058 7.623 242 HG2 GLU 41 HG2 GLU 41 -8.064 -4.397 6.364 243 HG3 GLU 41 HG1 GLU 41 -6.902 -5.717 6.267 244 H ASP 42 HN ASP 42 -3.254 -4.014 7.032 245 HA ASP 42 HA ASP 42 -2.209 -1.563 7.670 246 HB2 ASP 42 HB2 ASP 42 -0.754 -4.089 6.882 247 HB3 ASP 42 HB1 ASP 42 0.014 -2.699 7.631 248 H PHE 43 HN PHE 43 -1.689 -3.386 4.661 249 HA PHE 43 HA PHE 43 0.077 -1.611 3.416 250 HB2 PHE 43 HB2 PHE 43 -0.296 -3.771 2.433 251 HB3 PHE 43 HB1 PHE 43 -2.015 -3.448 2.247 252 HD1 PHE 43 HD2 PHE 43 -2.659 -1.500 0.670 253 HD2 PHE 43 HD1 PHE 43 1.167 -3.375 0.628 254 HE1 PHE 43 HE2 PHE 43 -2.258 -0.651 -1.602 255 HE2 PHE 43 HE1 PHE 43 1.565 -2.543 -1.634 256 HZ PHE 43 HZ PHE 43 -0.159 -1.235 -2.776 257 H LEU 44 HN LEU 44 -3.403 -1.913 3.156 258 HA LEU 44 HA LEU 44 -3.945 0.114 1.409 259 HB2 LEU 44 HB2 LEU 44 -5.738 -0.551 3.743 260 HB3 LEU 44 HB1 LEU 44 -6.227 0.014 2.154 261 HG LEU 44 HG LEU 44 -5.436 -2.704 3.035 262 HD11 LEU 44 HD11 LEU 44 -7.746 -2.306 2.780 263 HD12 LEU 44 HD12 LEU 44 -7.234 -3.282 1.390 264 HD13 LEU 44 HD13 LEU 44 -7.513 -1.543 1.210 265 HD21 LEU 44 HD21 LEU 44 -4.728 -1.508 0.420 266 HD22 LEU 44 HD22 LEU 44 -5.303 -3.174 0.467 267 HD23 LEU 44 HD23 LEU 44 -3.878 -2.707 1.396 268 H MET 45 HN MET 45 -3.377 0.299 4.846 269 HA MET 45 HA MET 45 -3.980 3.061 5.171 270 HB2 MET 45 HB2 MET 45 -2.027 1.350 6.715 271 HB3 MET 45 HB1 MET 45 -2.571 2.951 7.198 272 HG2 MET 45 HG2 MET 45 -4.917 1.969 7.152 273 HG3 MET 45 HG1 MET 45 -4.118 0.395 7.082 274 HE1 MET 45 HE1 MET 45 -1.507 1.055 8.748 275 HE2 MET 45 HE2 MET 45 -2.367 -0.434 9.133 276 HE3 MET 45 HE3 MET 45 -1.920 0.681 10.419 277 H LEU 46 HN LEU 46 -0.841 1.421 4.885 278 HA LEU 46 HA LEU 46 0.863 3.552 4.716 279 HB2 LEU 46 HB2 LEU 46 1.100 1.147 2.917 280 HB3 LEU 46 HB1 LEU 46 2.399 2.157 3.517 281 HG LEU 46 HG LEU 46 0.768 0.152 5.054 282 HD11 LEU 46 HD11 LEU 46 3.732 0.380 4.656 283 HD12 LEU 46 HD12 LEU 46 2.669 -0.632 3.679 284 HD13 LEU 46 HD13 LEU 46 2.842 -0.945 5.407 285 HD21 LEU 46 HD21 LEU 46 2.890 1.938 6.213 286 HD22 LEU 46 HD22 LEU 46 1.780 0.856 7.060 287 HD23 LEU 46 HD23 LEU 46 1.169 2.329 6.298 288 H ARG 47 HN ARG 47 -0.649 1.945 1.954 289 HA ARG 47 HA ARG 47 0.258 3.748 0.004 290 HB2 ARG 47 HB2 ARG 47 -0.471 1.953 -1.111 291 HB3 ARG 47 HB1 ARG 47 -1.570 1.488 0.173 292 HG2 ARG 47 HG2 ARG 47 -2.698 3.738 -1.050 293 HG3 ARG 47 HG1 ARG 47 -2.133 2.700 -2.353 294 HD2 ARG 47 HD2 ARG 47 -3.445 0.896 -1.609 295 HD3 ARG 47 HD1 ARG 47 -3.732 1.649 -0.042 296 HE ARG 47 HE ARG 47 -5.542 2.666 -0.951 297 HH11 ARG 47 HH11 ARG 47 -3.319 1.958 -3.550 298 HH12 ARG 47 HH12 ARG 47 -4.396 2.493 -4.793 299 HH21 ARG 47 HH21 ARG 47 -7.008 3.289 -2.588 300 HH22 ARG 47 HH22 ARG 47 -6.492 3.250 -4.249 301 H HIS 48 HN HIS 48 -2.953 3.509 1.516 302 HA HIS 48 HA HIS 48 -4.268 5.691 0.690 303 HB2 HIS 48 HB2 HIS 48 -4.046 4.483 3.389 304 HB3 HIS 48 HB1 HIS 48 -4.812 6.065 3.282 305 HD1 HIS 48 HD1 HIS 48 -6.489 3.740 4.205 306 HD2 HIS 48 HD2 HIS 48 -6.113 4.823 0.211 307 HE1 HIS 48 HE1 HIS 48 -8.475 2.731 3.042 308 HE2 HIS 48 HE2 HIS 48 -8.272 3.475 0.645 309 H ARG 49 HN ARG 49 -1.881 5.900 3.343 310 HA ARG 49 HA ARG 49 -2.236 8.666 3.697 311 HB2 ARG 49 HB2 ARG 49 0.222 7.059 4.322 312 HB3 ARG 49 HB1 ARG 49 -0.241 8.603 5.039 313 HG2 ARG 49 HG2 ARG 49 -2.352 7.424 5.821 314 HG3 ARG 49 HG1 ARG 49 -1.537 5.919 5.384 315 HD2 ARG 49 HD2 ARG 49 0.400 7.005 6.774 316 HD3 ARG 49 HD1 ARG 49 -0.936 7.855 7.538 317 HE ARG 49 HE ARG 49 -0.774 4.909 7.405 318 HH11 ARG 49 HH11 ARG 49 -1.465 7.871 9.159 319 HH12 ARG 49 HH12 ARG 49 -1.932 7.049 10.611 320 HH21 ARG 49 HH21 ARG 49 -1.386 3.837 9.332 321 HH22 ARG 49 HH22 ARG 49 -1.891 4.762 10.709 322 H ALA 50 HN ALA 50 0.153 6.864 1.872 323 HA ALA 50 HA ALA 50 1.613 9.007 0.811 324 HB1 ALA 50 HB1 ALA 50 2.458 7.497 -0.841 325 HB2 ALA 50 HB2 ALA 50 1.087 6.404 -0.608 326 HB3 ALA 50 HB3 ALA 50 2.278 6.613 0.677 327 H ALA 51 HN ALA 51 -1.001 7.191 -0.805 328 HA ALA 51 HA ALA 51 -1.414 8.782 -2.995 329 HB1 ALA 51 HB1 ALA 51 -3.502 7.320 -1.385 330 HB2 ALA 51 HB2 ALA 51 -2.472 6.606 -2.629 331 HB3 ALA 51 HB3 ALA 51 -3.658 7.838 -3.063 332 H LEU 52 HN LEU 52 -2.846 9.140 0.231 333 HA LEU 52 HA LEU 52 -4.578 11.260 -0.676 334 HB2 LEU 52 HB2 LEU 52 -4.129 10.485 2.194 335 HB3 LEU 52 HB1 LEU 52 -5.556 11.200 1.463 336 HG LEU 52 HG LEU 52 -4.584 8.397 0.940 337 HD11 LEU 52 HD11 LEU 52 -6.888 9.339 2.627 338 HD12 LEU 52 HD12 LEU 52 -5.372 8.657 3.222 339 HD13 LEU 52 HD13 LEU 52 -6.469 7.662 2.261 340 HD21 LEU 52 HD21 LEU 52 -5.757 9.281 -0.950 341 HD22 LEU 52 HD22 LEU 52 -7.068 9.853 0.084 342 HD23 LEU 52 HD23 LEU 52 -6.789 8.118 -0.114 343 H GLY 53 HN GLY 53 -2.393 11.256 2.156 344 HA2 GLY 53 HA2 GLY 53 -0.523 13.072 1.399 345 HA3 GLY 53 HA1 GLY 53 -1.900 14.075 1.830 346 H ALA 54 HN ALA 54 -0.599 11.087 3.273 347 HA ALA 54 HA ALA 54 -0.160 12.575 5.765 348 HB1 ALA 54 HB1 ALA 54 -1.515 9.909 5.469 349 HB2 ALA 54 HB2 ALA 54 -2.213 11.403 6.085 350 HB3 ALA 54 HB3 ALA 54 -0.961 10.571 7.004 351 H ASP 55 HN ASP 55 1.538 11.801 7.072 352 HA ASP 55 HA ASP 55 3.434 10.117 5.578 353 HB2 ASP 55 HB2 ASP 55 3.922 12.739 6.970 354 HB3 ASP 55 HB1 ASP 55 5.232 11.629 6.585 355 H ASP 56 HN ASP 56 1.849 9.005 7.609 356 HA ASP 56 HA ASP 56 3.376 8.602 9.955 357 HB2 ASP 56 HB2 ASP 56 1.099 7.790 9.866 358 HB3 ASP 56 HB1 ASP 56 1.485 6.747 8.502 359 H ASN 57 HN ASN 57 5.219 7.460 10.295 360 HA ASN 57 HA ASN 57 7.000 7.087 8.360 361 HB2 ASN 57 HB2 ASN 57 8.316 5.714 9.795 362 HB3 ASN 57 HB1 ASN 57 7.608 7.042 10.697 363 HD21 ASN 57 HD21 ASN 57 7.799 3.629 10.292 364 HD22 ASN 57 HD22 ASN 57 6.846 3.190 11.662 365 H ASP 58 HN ASP 58 4.793 4.429 9.327 366 HA ASP 58 HA ASP 58 6.253 2.511 7.792 367 HB2 ASP 58 HB2 ASP 58 3.477 2.504 8.945 368 HB3 ASP 58 HB1 ASP 58 4.060 1.187 7.930 369 H ALA 59 HN ALA 59 3.599 4.602 7.219 370 HA ALA 59 HA ALA 59 3.077 3.896 4.532 371 HB1 ALA 59 HB1 ALA 59 1.537 5.239 5.867 372 HB2 ALA 59 HB2 ALA 59 1.953 6.028 4.339 373 HB3 ALA 59 HB3 ALA 59 2.697 6.575 5.843 374 H VAL 60 HN VAL 60 5.480 6.061 5.991 375 HA VAL 60 HA VAL 60 6.121 7.252 3.466 376 HB VAL 60 HB VAL 60 7.803 8.488 4.495 377 HG11 VAL 60 HG11 VAL 60 5.678 8.001 6.557 378 HG12 VAL 60 HG12 VAL 60 5.658 9.197 5.259 379 HG13 VAL 60 HG13 VAL 60 6.811 9.354 6.584 380 HG21 VAL 60 HG21 VAL 60 7.898 6.480 6.717 381 HG22 VAL 60 HG22 VAL 60 8.765 8.017 6.711 382 HG23 VAL 60 HG23 VAL 60 9.130 6.792 5.493 383 H LYS 61 HN LYS 61 7.505 4.714 5.498 384 HA LYS 61 HA LYS 61 9.712 4.086 3.872 385 HB2 LYS 61 HB2 LYS 61 8.031 2.290 5.622 386 HB3 LYS 61 HB1 LYS 61 9.666 1.950 5.066 387 HG2 LYS 61 HG2 LYS 61 10.619 3.456 6.501 388 HG3 LYS 61 HG1 LYS 61 9.170 4.473 6.568 389 HD2 LYS 61 HD2 LYS 61 9.763 3.102 8.660 390 HD3 LYS 61 HD1 LYS 61 8.101 3.025 8.082 391 HE2 LYS 61 HE2 LYS 61 8.574 0.919 6.965 392 HE3 LYS 61 HE1 LYS 61 10.250 0.993 7.504 393 HZ1 LYS 61 HZ1 LYS 61 9.443 0.907 9.807 394 HZ2 LYS 61 HZ2 LYS 61 8.994 -0.465 8.927 395 HZ3 LYS 61 HZ3 LYS 61 7.849 0.742 9.246 396 H PHE 62 HN PHE 62 6.353 3.086 3.843 397 HA PHE 62 HA PHE 62 6.464 1.188 1.786 398 HB2 PHE 62 HB2 PHE 62 4.467 1.487 3.174 399 HB3 PHE 62 HB1 PHE 62 4.246 3.112 2.534 400 HD1 PHE 62 HD2 PHE 62 3.998 -0.480 1.777 401 HD2 PHE 62 HD1 PHE 62 3.333 3.479 0.373 402 HE1 PHE 62 HE2 PHE 62 2.594 -1.367 -0.029 403 HE2 PHE 62 HE1 PHE 62 1.924 2.597 -1.437 404 HZ PHE 62 HZ PHE 62 1.620 0.116 -1.663 405 H ARG 63 HN ARG 63 5.539 4.614 1.689 406 HA ARG 63 HA ARG 63 5.395 5.040 -0.990 407 HB2 ARG 63 HB2 ARG 63 4.757 6.728 0.531 408 HB3 ARG 63 HB1 ARG 63 6.316 6.740 1.314 409 HG2 ARG 63 HG2 ARG 63 6.102 7.597 -1.533 410 HG3 ARG 63 HG1 ARG 63 5.597 8.691 -0.242 411 HD2 ARG 63 HD2 ARG 63 7.927 8.066 0.796 412 HD3 ARG 63 HD1 ARG 63 8.308 7.574 -0.848 413 HE ARG 63 HE ARG 63 7.267 10.108 -1.046 414 HH11 ARG 63 HH11 ARG 63 10.014 8.604 0.529 415 HH12 ARG 63 HH12 ARG 63 11.011 10.021 0.406 416 HH21 ARG 63 HH21 ARG 63 8.576 11.970 -1.198 417 HH22 ARG 63 HH22 ARG 63 10.197 11.928 -0.576 418 H SER 64 HN SER 64 8.306 5.784 0.915 419 HA SER 64 HA SER 64 10.010 6.334 -1.096 420 HB2 SER 64 HB2 SER 64 10.679 4.865 1.451 421 HB3 SER 64 HB1 SER 64 11.862 5.655 0.406 422 HG SER 64 HG SER 64 10.548 6.769 2.338 423 H TRP 65 HN TRP 65 9.480 3.043 0.156 424 HA TRP 65 HA TRP 65 11.265 1.800 -1.660 425 HB2 TRP 65 HB2 TRP 65 10.900 0.529 0.217 426 HB3 TRP 65 HB1 TRP 65 9.187 0.912 0.270 427 HD1 TRP 65 HD1 TRP 65 11.637 -1.504 -1.434 428 HE1 TRP 65 HE1 TRP 65 10.288 -3.538 -2.286 429 HE3 TRP 65 HE3 TRP 65 7.000 0.235 -0.485 430 HZ2 TRP 65 HZ2 TRP 65 7.551 -4.252 -2.552 431 HZ3 TRP 65 HZ3 TRP 65 5.048 -1.155 -1.057 432 HH2 TRP 65 HH2 TRP 65 5.323 -3.365 -2.061 433 H TRP 66 HN TRP 66 7.751 2.123 -1.648 434 HA TRP 66 HA TRP 66 7.392 0.570 -4.013 435 HB2 TRP 66 HB2 TRP 66 5.768 0.888 -2.086 436 HB3 TRP 66 HB1 TRP 66 5.417 2.474 -2.754 437 HD1 TRP 66 HD1 TRP 66 3.183 2.382 -3.924 438 HE1 TRP 66 HE1 TRP 66 1.941 0.730 -5.443 439 HE3 TRP 66 HE3 TRP 66 6.600 -1.396 -3.980 440 HZ2 TRP 66 HZ2 TRP 66 2.346 -1.793 -6.515 441 HZ3 TRP 66 HZ3 TRP 66 6.096 -3.412 -5.286 442 HH2 TRP 66 HH2 TRP 66 4.008 -3.612 -6.534 443 H ASN 67 HN ASN 67 8.021 3.929 -3.452 444 HA ASN 67 HA ASN 67 6.912 4.710 -6.033 445 HB2 ASN 67 HB2 ASN 67 7.885 6.174 -3.642 446 HB3 ASN 67 HB1 ASN 67 7.907 6.998 -5.197 447 HD21 ASN 67 HD21 ASN 67 5.913 5.484 -2.790 448 HD22 ASN 67 HD22 ASN 67 4.426 6.190 -3.303 449 H SER 68 HN SER 68 9.713 3.390 -5.034 450 HA SER 68 HA SER 68 11.338 4.927 -6.913 451 HB2 SER 68 HB2 SER 68 12.151 2.668 -5.058 452 HB3 SER 68 HB1 SER 68 13.240 3.626 -6.058 453 HG SER 68 HG SER 68 11.859 4.334 -3.716 454 H ARG 69 HN ARG 69 9.304 2.308 -6.731 455 HA ARG 69 HA ARG 69 10.648 0.874 -8.906 456 HB2 ARG 69 HB2 ARG 69 9.282 -1.129 -8.005 457 HB3 ARG 69 HB1 ARG 69 10.729 -0.640 -7.153 458 HG2 ARG 69 HG2 ARG 69 9.276 0.621 -5.565 459 HG3 ARG 69 HG1 ARG 69 7.882 -0.104 -6.372 460 HD2 ARG 69 HD2 ARG 69 8.494 -1.342 -4.362 461 HD3 ARG 69 HD1 ARG 69 8.711 -2.322 -5.811 462 HE ARG 69 HE ARG 69 10.998 -0.921 -4.604 463 HH11 ARG 69 HH11 ARG 69 9.466 -3.883 -5.675 464 HH12 ARG 69 HH12 ARG 69 10.857 -4.864 -5.355 465 HH21 ARG 69 HH21 ARG 69 12.833 -2.209 -4.191 466 HH22 ARG 69 HH22 ARG 69 12.772 -3.917 -4.509 467 H THR 70 HN THR 70 7.451 1.167 -7.449 468 HA THR 70 HA THR 70 6.181 0.825 -10.075 469 HB THR 70 HB THR 70 4.991 0.817 -7.317 470 HG1 THR 70 HG1 THR 70 4.888 -1.603 -8.233 471 HG21 THR 70 HG21 THR 70 3.865 0.038 -9.995 472 HG22 THR 70 HG22 THR 70 3.306 1.316 -8.908 473 HG23 THR 70 HG23 THR 70 3.114 -0.377 -8.452 474 H LYS 71 HN LYS 71 5.833 2.728 -7.136 475 HA LYS 71 HA LYS 71 5.060 4.805 -6.696 476 HB2 LYS 71 HB2 LYS 71 5.014 5.234 -9.657 477 HB3 LYS 71 HB1 LYS 71 4.879 6.451 -8.408 478 HG2 LYS 71 HG2 LYS 71 7.146 5.848 -7.621 479 HG3 LYS 71 HG1 LYS 71 7.279 4.753 -8.994 480 HD2 LYS 71 HD2 LYS 71 8.406 6.863 -9.429 481 HD3 LYS 71 HD1 LYS 71 7.034 6.639 -10.522 482 HE2 LYS 71 HE2 LYS 71 5.673 8.114 -9.146 483 HE3 LYS 71 HE1 LYS 71 7.000 8.294 -8.001 484 HZ1 LYS 71 HZ1 LYS 71 7.071 9.143 -10.842 485 HZ2 LYS 71 HZ2 LYS 71 8.299 9.372 -9.702 486 HZ3 LYS 71 HZ3 LYS 71 6.820 10.171 -9.526 487 H MET 72 HN MET 72 3.530 2.394 -7.468 488 HA MET 72 HA MET 72 1.410 1.649 -7.575 489 HB2 MET 72 HB2 MET 72 -0.120 2.930 -5.997 490 HB3 MET 72 HB1 MET 72 1.363 2.267 -5.348 491 HG2 MET 72 HG2 MET 72 1.452 4.285 -4.429 492 HG3 MET 72 HG1 MET 72 2.253 4.664 -5.943 493 HE1 MET 72 HE1 MET 72 0.969 6.857 -3.986 494 HE2 MET 72 HE2 MET 72 0.226 7.921 -5.181 495 HE3 MET 72 HE3 MET 72 1.820 7.230 -5.485 496 H ALA 73 HN ALA 73 -1.036 2.860 -7.335 497 HA ALA 73 HA ALA 73 -1.422 4.564 -9.621 498 HB1 ALA 73 HB1 ALA 73 -1.419 2.346 -10.618 499 HB2 ALA 73 HB2 ALA 73 -3.030 3.054 -10.667 500 HB3 ALA 73 HB3 ALA 73 -2.645 1.824 -9.464 501 H ASN 74 HN ASN 74 -1.688 5.439 -7.286 502 HA ASN 74 HA ASN 74 -3.052 5.734 -5.382 503 HB2 ASN 74 HB2 ASN 74 -3.916 7.339 -7.754 504 HB3 ASN 74 HB1 ASN 74 -4.528 7.675 -6.134 505 HD21 ASN 74 HD21 ASN 74 -3.096 8.436 -4.564 506 HD22 ASN 74 HD22 ASN 74 -1.542 9.081 -4.959 507 H ASP 75 HN ASP 75 -5.634 6.068 -7.782 508 HA ASP 75 HA ASP 75 -6.762 3.554 -6.883 509 HB2 ASP 75 HB2 ASP 75 -9.002 4.529 -6.462 510 HB3 ASP 75 HB1 ASP 75 -7.794 5.081 -5.311 511 H TYR 76 HN TYR 76 -5.522 4.239 -9.246 512 HA TYR 76 HA TYR 76 -7.636 4.692 -11.208 513 HB2 TYR 76 HB2 TYR 76 -4.664 4.312 -11.522 514 HB3 TYR 76 HB1 TYR 76 -5.784 4.690 -12.826 515 HD1 TYR 76 HD1 TYR 76 -7.106 6.877 -12.641 516 HD2 TYR 76 HD2 TYR 76 -3.679 6.029 -10.274 517 HE1 TYR 76 HE1 TYR 76 -6.831 9.269 -12.197 518 HE2 TYR 76 HE2 TYR 76 -3.394 8.415 -9.821 519 HH TYR 76 HH TYR 76 -5.793 10.729 -10.532 Start of MODEL 19 1 H1 GLY 10 HT1 GLY 10 -12.473 6.329 -4.090 2 H2 GLY 10 HT2 GLY 10 -10.984 5.711 -4.603 3 H3 GLY 10 HT3 GLY 10 -11.170 7.374 -4.335 4 HA2 GLY 10 HA1 GLY 10 -9.966 6.338 -2.516 5 HA3 GLY 10 HA2 GLY 10 -11.496 7.024 -1.990 6 H THR 11 HN THR 11 -9.884 4.840 -0.819 7 HA THR 11 HA THR 11 -11.875 2.699 -0.984 8 HB THR 11 HB THR 11 -9.439 1.681 0.036 9 HG1 THR 11 HG1 THR 11 -9.113 3.062 -2.451 10 HG21 THR 11 HG21 THR 11 -10.986 0.281 -1.096 11 HG22 THR 11 HG22 THR 11 -9.534 0.342 -2.105 12 HG23 THR 11 HG23 THR 11 -10.950 1.297 -2.539 13 H TYR 12 HN TYR 12 -10.504 1.309 1.155 14 HA TYR 12 HA TYR 12 -11.243 2.916 3.481 15 HB2 TYR 12 HB2 TYR 12 -12.337 0.175 3.189 16 HB3 TYR 12 HB1 TYR 12 -12.914 1.492 4.201 17 HD1 TYR 12 HD2 TYR 12 -14.224 3.323 3.211 18 HD2 TYR 12 HD1 TYR 12 -13.065 -0.072 0.947 19 HE1 TYR 12 HE2 TYR 12 -15.870 3.919 1.490 20 HE2 TYR 12 HE1 TYR 12 -14.680 0.505 -0.783 21 HH TYR 12 HH TYR 12 -16.825 1.810 -0.959 22 H ARG 13 HN ARG 13 -11.217 1.040 5.391 23 HA ARG 13 HA ARG 13 -9.361 -1.092 4.899 24 HB2 ARG 13 HB2 ARG 13 -7.807 0.749 5.426 25 HB3 ARG 13 HB1 ARG 13 -8.654 1.006 6.949 26 HG2 ARG 13 HG2 ARG 13 -8.133 -1.506 7.353 27 HG3 ARG 13 HG1 ARG 13 -6.877 -1.255 6.142 28 HD2 ARG 13 HD2 ARG 13 -5.793 -0.829 8.140 29 HD3 ARG 13 HD1 ARG 13 -6.232 0.779 7.561 30 HE ARG 13 HE ARG 13 -7.886 -0.655 9.533 31 HH11 ARG 13 HH11 ARG 13 -6.105 2.214 8.580 32 HH12 ARG 13 HH12 ARG 13 -6.674 3.155 9.919 33 HH21 ARG 13 HH21 ARG 13 -8.634 0.584 11.270 34 HH22 ARG 13 HH22 ARG 13 -8.115 2.231 11.446 35 H GLY 14 HN GLY 14 -9.562 -2.737 6.433 36 HA2 GLY 14 HA2 GLY 14 -10.498 -3.912 8.177 37 HA3 GLY 14 HA1 GLY 14 -10.796 -2.369 8.956 38 H ARG 15 HN ARG 15 -12.069 -3.325 5.821 39 HA ARG 15 HA ARG 15 -14.666 -3.862 6.973 40 HB2 ARG 15 HB2 ARG 15 -15.761 -2.283 5.300 41 HB3 ARG 15 HB1 ARG 15 -14.989 -1.540 6.688 42 HG2 ARG 15 HG2 ARG 15 -14.290 -0.177 5.008 43 HG3 ARG 15 HG1 ARG 15 -12.958 -1.330 5.070 44 HD2 ARG 15 HD2 ARG 15 -13.648 -0.876 2.769 45 HD3 ARG 15 HD1 ARG 15 -13.922 -2.568 3.214 46 HE ARG 15 HE ARG 15 -16.256 -0.996 3.646 47 HH11 ARG 15 HH11 ARG 15 -14.373 -2.545 1.136 48 HH12 ARG 15 HH12 ARG 15 -15.716 -2.717 0.054 49 HH21 ARG 15 HH21 ARG 15 -18.029 -1.238 2.230 50 HH22 ARG 15 HH22 ARG 15 -17.796 -1.985 0.684 51 H GLY 16 HN GLY 16 -12.890 -5.599 5.779 52 HA2 GLY 16 HA2 GLY 16 -12.889 -7.280 4.204 53 HA3 GLY 16 HA1 GLY 16 -14.480 -6.715 3.703 54 H VAL 17 HN VAL 17 -11.766 -4.598 3.825 55 HA VAL 17 HA VAL 17 -12.109 -3.561 1.296 56 HB VAL 17 HB VAL 17 -9.580 -2.922 1.453 57 HG11 VAL 17 HG11 VAL 17 -10.201 -1.089 2.909 58 HG12 VAL 17 HG12 VAL 17 -11.635 -1.975 3.434 59 HG13 VAL 17 HG13 VAL 17 -11.485 -1.459 1.749 60 HG21 VAL 17 HG21 VAL 17 -10.148 -4.075 4.183 61 HG22 VAL 17 HG22 VAL 17 -8.889 -2.877 3.894 62 HG23 VAL 17 HG23 VAL 17 -8.813 -4.449 3.089 63 H ALA 18 HN ALA 18 -11.608 -4.015 -0.621 64 HA ALA 18 HA ALA 18 -9.851 -6.311 -1.178 65 HB1 ALA 18 HB1 ALA 18 -11.027 -6.508 -3.325 66 HB2 ALA 18 HB2 ALA 18 -12.058 -5.149 -2.878 67 HB3 ALA 18 HB3 ALA 18 -12.138 -6.654 -1.963 68 H LEU 19 HN LEU 19 -10.100 -3.025 -1.169 69 HA LEU 19 HA LEU 19 -8.858 -1.313 -1.950 70 HB2 LEU 19 HB2 LEU 19 -7.081 -2.551 -0.953 71 HB3 LEU 19 HB1 LEU 19 -6.960 -3.609 -2.318 72 HG LEU 19 HG LEU 19 -6.085 -1.673 -3.633 73 HD11 LEU 19 HD11 LEU 19 -6.224 -0.341 -0.956 74 HD12 LEU 19 HD12 LEU 19 -7.051 0.139 -2.440 75 HD13 LEU 19 HD13 LEU 19 -5.294 0.263 -2.326 76 HD21 LEU 19 HD21 LEU 19 -3.937 -1.502 -2.207 77 HD22 LEU 19 HD22 LEU 19 -4.400 -3.036 -2.936 78 HD23 LEU 19 HD23 LEU 19 -4.719 -2.744 -1.232 79 H THR 20 HN THR 20 -7.352 -0.766 -4.134 80 HA THR 20 HA THR 20 -9.030 -1.438 -6.335 81 HB THR 20 HB THR 20 -8.171 0.720 -6.548 82 HG1 THR 20 HG1 THR 20 -6.169 -0.119 -8.171 83 HG21 THR 20 HG21 THR 20 -5.805 1.307 -6.348 84 HG22 THR 20 HG22 THR 20 -5.434 -0.375 -5.966 85 HG23 THR 20 HG23 THR 20 -6.426 0.582 -4.867 86 H ASP 21 HN ASP 21 -7.947 -2.330 -8.366 87 HA ASP 21 HA ASP 21 -7.559 -5.016 -7.700 88 HB2 ASP 21 HB2 ASP 21 -7.116 -3.618 -10.335 89 HB3 ASP 21 HB1 ASP 21 -7.164 -5.365 -10.125 90 H ASP 22 HN ASP 22 -5.202 -2.805 -9.218 91 HA ASP 22 HA ASP 22 -3.132 -4.720 -9.279 92 HB2 ASP 22 HB2 ASP 22 -3.226 -2.676 -10.708 93 HB3 ASP 22 HB1 ASP 22 -2.832 -1.712 -9.288 94 H GLU 23 HN GLU 23 -3.497 -1.869 -7.200 95 HA GLU 23 HA GLU 23 -1.333 -2.111 -5.579 96 HB2 GLU 23 HB2 GLU 23 -4.120 -1.205 -4.828 97 HB3 GLU 23 HB1 GLU 23 -2.737 -1.064 -3.761 98 HG2 GLU 23 HG2 GLU 23 -3.337 1.012 -5.039 99 HG3 GLU 23 HG1 GLU 23 -1.655 0.504 -5.117 100 H TYR 24 HN TYR 24 -4.396 -3.855 -5.115 101 HA TYR 24 HA TYR 24 -3.738 -4.950 -2.587 102 HB2 TYR 24 HB2 TYR 24 -6.028 -4.728 -3.536 103 HB3 TYR 24 HB1 TYR 24 -5.649 -5.999 -4.689 104 HD1 TYR 24 HD2 TYR 24 -5.166 -8.393 -3.765 105 HD2 TYR 24 HD1 TYR 24 -6.862 -5.244 -1.408 106 HE1 TYR 24 HE2 TYR 24 -5.941 -10.025 -2.109 107 HE2 TYR 24 HE1 TYR 24 -7.632 -6.898 0.237 108 HH TYR 24 HH TYR 24 -6.572 -10.141 0.228 109 H ASP 25 HN ASP 25 -3.809 -6.496 -5.768 110 HA ASP 25 HA ASP 25 -2.371 -8.798 -5.248 111 HB2 ASP 25 HB2 ASP 25 -3.340 -8.257 -7.458 112 HB3 ASP 25 HB1 ASP 25 -2.060 -7.081 -7.722 113 H GLU 26 HN GLU 26 -1.065 -5.597 -5.975 114 HA GLU 26 HA GLU 26 1.661 -6.356 -5.864 115 HB2 GLU 26 HB2 GLU 26 0.347 -3.661 -5.565 116 HB3 GLU 26 HB1 GLU 26 2.083 -3.904 -5.686 117 HG2 GLU 26 HG2 GLU 26 0.071 -4.701 -7.776 118 HG3 GLU 26 HG1 GLU 26 1.053 -3.239 -7.812 119 H TRP 27 HN TRP 27 -0.642 -5.607 -3.384 120 HA TRP 27 HA TRP 27 1.146 -5.039 -1.279 121 HB2 TRP 27 HB2 TRP 27 -0.978 -4.653 -0.547 122 HB3 TRP 27 HB1 TRP 27 -1.659 -5.953 -1.515 123 HD1 TRP 27 HD1 TRP 27 0.354 -5.577 1.831 124 HE1 TRP 27 HE1 TRP 27 -0.468 -7.428 3.409 125 HE3 TRP 27 HE3 TRP 27 -2.794 -8.062 -1.354 126 HZ2 TRP 27 HZ2 TRP 27 -2.215 -9.614 3.325 127 HZ3 TRP 27 HZ3 TRP 27 -3.995 -10.036 -0.518 128 HH2 TRP 27 HH2 TRP 27 -3.702 -10.806 1.780 129 H ARG 28 HN ARG 28 -0.023 -8.020 -2.686 130 HA ARG 28 HA ARG 28 1.148 -9.777 -0.826 131 HB2 ARG 28 HB2 ARG 28 0.659 -10.294 -3.767 132 HB3 ARG 28 HB1 ARG 28 0.810 -11.500 -2.493 133 HG2 ARG 28 HG2 ARG 28 -1.229 -10.357 -1.436 134 HG3 ARG 28 HG1 ARG 28 -1.430 -9.581 -3.005 135 HD2 ARG 28 HD2 ARG 28 -1.257 -12.561 -2.607 136 HD3 ARG 28 HD1 ARG 28 -2.768 -11.662 -2.706 137 HE ARG 28 HE ARG 28 -1.227 -11.064 -4.969 138 HH11 ARG 28 HH11 ARG 28 -2.931 -13.766 -3.553 139 HH12 ARG 28 HH12 ARG 28 -3.317 -14.496 -5.075 140 HH21 ARG 28 HH21 ARG 28 -1.748 -11.999 -6.988 141 HH22 ARG 28 HH22 ARG 28 -2.629 -13.498 -7.033 142 H GLU 29 HN GLU 29 2.385 -8.170 -3.712 143 HA GLU 29 HA GLU 29 4.971 -9.392 -3.581 144 HB2 GLU 29 HB2 GLU 29 4.108 -8.347 -5.653 145 HB3 GLU 29 HB1 GLU 29 4.171 -6.773 -4.869 146 HG2 GLU 29 HG2 GLU 29 6.571 -6.922 -4.668 147 HG3 GLU 29 HG1 GLU 29 6.552 -8.553 -5.338 148 H HIS 30 HN HIS 30 3.624 -6.325 -2.428 149 HA HIS 30 HA HIS 30 5.788 -5.171 -1.203 150 HB2 HIS 30 HB2 HIS 30 3.659 -4.042 -1.192 151 HB3 HIS 30 HB1 HIS 30 2.929 -5.314 -0.224 152 HD1 HIS 30 HD1 HIS 30 2.260 -3.919 1.777 153 HD2 HIS 30 HD2 HIS 30 6.269 -3.479 0.789 154 HE1 HIS 30 HE1 HIS 30 3.269 -2.548 3.641 155 HE2 HIS 30 HE2 HIS 30 5.652 -2.162 2.924 156 H ASN 31 HN ASN 31 3.749 -7.749 0.123 157 HA ASN 31 HA ASN 31 4.988 -8.003 2.609 158 HB2 ASN 31 HB2 ASN 31 2.865 -9.143 1.865 159 HB3 ASN 31 HB1 ASN 31 3.861 -10.281 0.966 160 HD21 ASN 31 HD21 ASN 31 5.053 -11.818 2.073 161 HD22 ASN 31 HD22 ASN 31 4.804 -12.156 3.751 162 H ALA 32 HN ALA 32 5.695 -9.549 -0.472 163 HA ALA 32 HA ALA 32 7.889 -11.099 0.382 164 HB1 ALA 32 HB1 ALA 32 7.358 -10.017 -2.370 165 HB2 ALA 32 HB2 ALA 32 6.622 -11.473 -1.694 166 HB3 ALA 32 HB3 ALA 32 8.365 -11.403 -1.949 167 H SER 33 HN SER 33 7.897 -8.097 -1.548 168 HA SER 33 HA SER 33 10.653 -7.861 -1.726 169 HB2 SER 33 HB2 SER 33 9.095 -6.647 -3.180 170 HB3 SER 33 HB1 SER 33 8.597 -5.644 -1.824 171 HG SER 33 HG SER 33 11.189 -5.798 -2.976 172 H ARG 34 HN ARG 34 8.490 -6.365 0.690 173 HA ARG 34 HA ARG 34 10.749 -5.018 1.895 174 HB2 ARG 34 HB2 ARG 34 7.822 -5.036 2.525 175 HB3 ARG 34 HB1 ARG 34 9.000 -4.277 3.586 176 HG2 ARG 34 HG2 ARG 34 8.495 -3.570 0.702 177 HG3 ARG 34 HG1 ARG 34 7.987 -2.639 2.114 178 HD2 ARG 34 HD2 ARG 34 10.814 -3.203 1.226 179 HD3 ARG 34 HD1 ARG 34 9.968 -1.664 1.132 180 HE ARG 34 HE ARG 34 9.962 -2.460 3.804 181 HH11 ARG 34 HH11 ARG 34 12.269 -1.519 1.348 182 HH12 ARG 34 HH12 ARG 34 13.392 -0.838 2.477 183 HH21 ARG 34 HH21 ARG 34 11.444 -1.577 5.300 184 HH22 ARG 34 HH22 ARG 34 12.922 -0.872 4.729 185 H LYS 35 HN LYS 35 9.523 -8.063 2.054 186 HA LYS 35 HA LYS 35 10.028 -9.855 3.327 187 HB2 LYS 35 HB2 LYS 35 12.200 -8.015 4.280 188 HB3 LYS 35 HB1 LYS 35 12.113 -9.719 4.703 189 HG2 LYS 35 HG2 LYS 35 12.169 -8.744 1.870 190 HG3 LYS 35 HG1 LYS 35 13.631 -9.124 2.781 191 HD2 LYS 35 HD2 LYS 35 12.891 -11.408 3.073 192 HD3 LYS 35 HD1 LYS 35 11.352 -11.039 2.294 193 HE2 LYS 35 HE2 LYS 35 12.919 -12.189 0.784 194 HE3 LYS 35 HE1 LYS 35 12.474 -10.585 0.205 195 HZ1 LYS 35 HZ1 LYS 35 14.566 -9.732 1.036 196 HZ2 LYS 35 HZ2 LYS 35 14.841 -11.009 -0.034 197 HZ3 LYS 35 HZ3 LYS 35 14.990 -11.258 1.629 198 H LEU 36 HN LEU 36 8.052 -8.005 4.302 199 HA LEU 36 HA LEU 36 8.320 -8.330 7.196 200 HB2 LEU 36 HB2 LEU 36 6.229 -6.652 6.950 201 HB3 LEU 36 HB1 LEU 36 7.895 -6.095 7.035 202 HG LEU 36 HG LEU 36 7.930 -5.996 4.546 203 HD11 LEU 36 HD11 LEU 36 5.683 -5.996 3.429 204 HD12 LEU 36 HD12 LEU 36 5.050 -6.749 4.895 205 HD13 LEU 36 HD13 LEU 36 6.280 -7.573 3.944 206 HD21 LEU 36 HD21 LEU 36 6.725 -3.961 4.368 207 HD22 LEU 36 HD22 LEU 36 7.375 -4.046 6.007 208 HD23 LEU 36 HD23 LEU 36 5.667 -4.396 5.716 209 H ASP 37 HN ASP 37 5.708 -8.112 7.892 210 HA ASP 37 HA ASP 37 4.210 -10.125 6.404 211 HB2 ASP 37 HB2 ASP 37 5.349 -11.367 8.202 212 HB3 ASP 37 HB1 ASP 37 4.714 -10.236 9.394 213 H LEU 38 HN LEU 38 2.485 -8.964 5.841 214 HA LEU 38 HA LEU 38 1.035 -7.570 7.956 215 HB2 LEU 38 HB2 LEU 38 0.903 -5.521 6.903 216 HB3 LEU 38 HB1 LEU 38 2.536 -5.993 6.616 217 HG LEU 38 HG LEU 38 0.367 -6.241 4.643 218 HD11 LEU 38 HD11 LEU 38 1.488 -4.354 3.547 219 HD12 LEU 38 HD12 LEU 38 2.597 -4.254 4.921 220 HD13 LEU 38 HD13 LEU 38 0.870 -3.933 5.146 221 HD21 LEU 38 HD21 LEU 38 2.184 -6.653 3.041 222 HD22 LEU 38 HD22 LEU 38 2.118 -7.897 4.291 223 HD23 LEU 38 HD23 LEU 38 3.334 -6.628 4.376 224 H SER 39 HN SER 39 -1.107 -7.087 7.459 225 HA SER 39 HA SER 39 -2.259 -8.865 5.463 226 HB2 SER 39 HB2 SER 39 -3.663 -7.167 7.529 227 HB3 SER 39 HB1 SER 39 -4.402 -8.414 6.532 228 HG SER 39 HG SER 39 -2.211 -9.086 8.152 229 H VAL 40 HN VAL 40 -4.411 -7.636 4.515 230 HA VAL 40 HA VAL 40 -3.122 -5.849 2.712 231 HB VAL 40 HB VAL 40 -5.226 -7.490 2.406 232 HG11 VAL 40 HG11 VAL 40 -6.457 -4.747 2.673 233 HG12 VAL 40 HG12 VAL 40 -6.817 -6.159 3.668 234 HG13 VAL 40 HG13 VAL 40 -7.244 -6.152 1.956 235 HG21 VAL 40 HG21 VAL 40 -3.784 -6.525 0.744 236 HG22 VAL 40 HG22 VAL 40 -4.672 -4.995 0.852 237 HG23 VAL 40 HG23 VAL 40 -5.477 -6.445 0.254 238 H GLU 41 HN GLU 41 -5.465 -5.484 5.281 239 HA GLU 41 HA GLU 41 -6.182 -2.850 5.051 240 HB2 GLU 41 HB2 GLU 41 -5.444 -4.200 7.658 241 HB3 GLU 41 HB1 GLU 41 -6.558 -2.852 7.431 242 HG2 GLU 41 HG2 GLU 41 -8.182 -4.203 6.449 243 HG3 GLU 41 HG1 GLU 41 -7.045 -5.509 6.132 244 H ASP 42 HN ASP 42 -3.333 -4.134 6.761 245 HA ASP 42 HA ASP 42 -2.116 -1.785 7.474 246 HB2 ASP 42 HB2 ASP 42 -0.765 -4.332 6.560 247 HB3 ASP 42 HB1 ASP 42 -0.042 -3.079 7.557 248 H PHE 43 HN PHE 43 -1.821 -3.544 4.391 249 HA PHE 43 HA PHE 43 0.060 -1.848 3.183 250 HB2 PHE 43 HB2 PHE 43 -0.507 -3.971 2.143 251 HB3 PHE 43 HB1 PHE 43 -2.170 -3.445 1.908 252 HD1 PHE 43 HD2 PHE 43 -2.664 -1.579 0.223 253 HD2 PHE 43 HD1 PHE 43 1.175 -3.413 0.587 254 HE1 PHE 43 HE2 PHE 43 -2.023 -0.654 -1.952 255 HE2 PHE 43 HE1 PHE 43 1.802 -2.512 -1.607 256 HZ PHE 43 HZ PHE 43 0.208 -1.138 -2.884 257 H LEU 44 HN LEU 44 -3.436 -1.915 3.075 258 HA LEU 44 HA LEU 44 -3.863 0.166 1.311 259 HB2 LEU 44 HB2 LEU 44 -5.729 -0.456 3.600 260 HB3 LEU 44 HB1 LEU 44 -6.152 0.128 1.999 261 HG LEU 44 HG LEU 44 -5.552 -2.625 2.915 262 HD11 LEU 44 HD11 LEU 44 -7.448 -1.368 0.961 263 HD12 LEU 44 HD12 LEU 44 -7.817 -2.121 2.514 264 HD13 LEU 44 HD13 LEU 44 -7.261 -3.118 1.155 265 HD21 LEU 44 HD21 LEU 44 -3.844 -2.542 1.353 266 HD22 LEU 44 HD22 LEU 44 -4.789 -1.560 0.234 267 HD23 LEU 44 HD23 LEU 44 -5.207 -3.256 0.493 268 H MET 45 HN MET 45 -3.277 0.214 4.747 269 HA MET 45 HA MET 45 -3.803 2.960 5.191 270 HB2 MET 45 HB2 MET 45 -1.873 1.105 6.596 271 HB3 MET 45 HB1 MET 45 -2.275 2.723 7.153 272 HG2 MET 45 HG2 MET 45 -4.684 1.936 7.179 273 HG3 MET 45 HG1 MET 45 -4.035 0.306 7.010 274 HE1 MET 45 HE1 MET 45 -1.805 0.088 10.281 275 HE2 MET 45 HE2 MET 45 -1.430 0.343 8.577 276 HE3 MET 45 HE3 MET 45 -2.563 -0.920 9.054 277 H LEU 46 HN LEU 46 -0.675 1.320 4.774 278 HA LEU 46 HA LEU 46 0.982 3.498 4.616 279 HB2 LEU 46 HB2 LEU 46 1.271 1.064 2.860 280 HB3 LEU 46 HB1 LEU 46 2.551 2.120 3.422 281 HG LEU 46 HG LEU 46 0.993 0.094 4.998 282 HD11 LEU 46 HD11 LEU 46 3.950 0.490 4.680 283 HD12 LEU 46 HD12 LEU 46 2.981 -0.613 3.706 284 HD13 LEU 46 HD13 LEU 46 3.123 -0.866 5.445 285 HD21 LEU 46 HD21 LEU 46 1.197 2.288 6.221 286 HD22 LEU 46 HD22 LEU 46 2.951 2.068 6.147 287 HD23 LEU 46 HD23 LEU 46 1.948 0.897 7.009 288 H ARG 47 HN ARG 47 -0.520 1.858 1.869 289 HA ARG 47 HA ARG 47 0.236 3.639 -0.142 290 HB2 ARG 47 HB2 ARG 47 -0.633 1.601 -0.851 291 HB3 ARG 47 HB1 ARG 47 -2.025 1.708 0.214 292 HG2 ARG 47 HG2 ARG 47 -2.504 3.807 -1.354 293 HG3 ARG 47 HG1 ARG 47 -1.633 2.799 -2.503 294 HD2 ARG 47 HD2 ARG 47 -3.171 0.948 -1.928 295 HD3 ARG 47 HD1 ARG 47 -4.055 2.056 -0.877 296 HE ARG 47 HE ARG 47 -3.821 2.386 -3.802 297 HH11 ARG 47 HH11 ARG 47 -5.602 2.684 -0.812 298 HH12 ARG 47 HH12 ARG 47 -7.059 3.236 -1.580 299 HH21 ARG 47 HH21 ARG 47 -5.756 3.101 -4.812 300 HH22 ARG 47 HH22 ARG 47 -7.149 3.477 -3.841 301 H HIS 48 HN HIS 48 -2.881 3.464 1.554 302 HA HIS 48 HA HIS 48 -4.201 5.668 0.757 303 HB2 HIS 48 HB2 HIS 48 -4.033 4.213 3.280 304 HB3 HIS 48 HB1 HIS 48 -4.578 5.878 3.472 305 HD1 HIS 48 HD1 HIS 48 -6.681 4.106 4.257 306 HD2 HIS 48 HD2 HIS 48 -6.001 4.847 0.226 307 HE1 HIS 48 HE1 HIS 48 -8.799 3.439 3.084 308 HE2 HIS 48 HE2 HIS 48 -8.272 3.674 0.632 309 H ARG 49 HN ARG 49 -1.871 5.789 3.463 310 HA ARG 49 HA ARG 49 -2.252 8.527 3.931 311 HB2 ARG 49 HB2 ARG 49 0.250 6.975 4.500 312 HB3 ARG 49 HB1 ARG 49 -0.306 8.446 5.304 313 HG2 ARG 49 HG2 ARG 49 -2.340 7.129 6.006 314 HG3 ARG 49 HG1 ARG 49 -1.488 5.687 5.446 315 HD2 ARG 49 HD2 ARG 49 0.429 6.752 6.896 316 HD3 ARG 49 HD1 ARG 49 -0.940 7.451 7.747 317 HE ARG 49 HE ARG 49 -0.407 4.565 7.450 318 HH11 ARG 49 HH11 ARG 49 -2.054 7.214 9.045 319 HH12 ARG 49 HH12 ARG 49 -2.593 6.242 10.375 320 HH21 ARG 49 HH21 ARG 49 -1.122 3.288 9.210 321 HH22 ARG 49 HH22 ARG 49 -2.082 4.011 10.461 322 H ALA 50 HN ALA 50 0.240 6.836 2.111 323 HA ALA 50 HA ALA 50 1.700 9.046 1.226 324 HB1 ALA 50 HB1 ALA 50 2.615 7.594 -0.472 325 HB2 ALA 50 HB2 ALA 50 1.280 6.457 -0.263 326 HB3 ALA 50 HB3 ALA 50 2.445 6.698 1.038 327 H ALA 51 HN ALA 51 -0.843 7.252 -0.543 328 HA ALA 51 HA ALA 51 -1.075 8.921 -2.729 329 HB1 ALA 51 HB1 ALA 51 -3.285 7.352 -1.414 330 HB2 ALA 51 HB2 ALA 51 -2.078 6.681 -2.513 331 HB3 ALA 51 HB3 ALA 51 -3.226 7.888 -3.093 332 H LEU 52 HN LEU 52 -2.609 9.203 0.432 333 HA LEU 52 HA LEU 52 -4.370 11.305 -0.485 334 HB2 LEU 52 HB2 LEU 52 -3.942 10.484 2.381 335 HB3 LEU 52 HB1 LEU 52 -5.359 11.227 1.657 336 HG LEU 52 HG LEU 52 -4.404 8.421 1.118 337 HD11 LEU 52 HD11 LEU 52 -5.301 8.707 3.371 338 HD12 LEU 52 HD12 LEU 52 -6.319 7.681 2.354 339 HD13 LEU 52 HD13 LEU 52 -6.794 9.352 2.682 340 HD21 LEU 52 HD21 LEU 52 -6.611 8.202 0.003 341 HD22 LEU 52 HD22 LEU 52 -5.466 9.265 -0.819 342 HD23 LEU 52 HD23 LEU 52 -6.785 9.957 0.133 343 H GLY 53 HN GLY 53 -2.261 11.322 2.411 344 HA2 GLY 53 HA2 GLY 53 -0.368 13.118 1.513 345 HA3 GLY 53 HA1 GLY 53 -1.694 14.091 2.129 346 H ALA 54 HN ALA 54 -1.357 11.091 3.722 347 HA ALA 54 HA ALA 54 -0.432 12.456 6.097 348 HB1 ALA 54 HB1 ALA 54 -1.020 10.271 7.188 349 HB2 ALA 54 HB2 ALA 54 -1.624 9.747 5.617 350 HB3 ALA 54 HB3 ALA 54 -2.354 11.131 6.426 351 H ASP 55 HN ASP 55 1.450 12.089 7.131 352 HA ASP 55 HA ASP 55 3.377 10.417 5.683 353 HB2 ASP 55 HB2 ASP 55 5.139 11.943 6.474 354 HB3 ASP 55 HB1 ASP 55 3.925 12.761 5.500 355 H ASP 56 HN ASP 56 1.810 9.232 7.651 356 HA ASP 56 HA ASP 56 3.283 8.742 10.012 357 HB2 ASP 56 HB2 ASP 56 1.035 7.807 9.706 358 HB3 ASP 56 HB1 ASP 56 1.620 6.811 8.383 359 H ASN 57 HN ASN 57 4.657 6.458 10.226 360 HA ASN 57 HA ASN 57 6.705 7.269 8.350 361 HB2 ASN 57 HB2 ASN 57 8.317 6.254 9.636 362 HB3 ASN 57 HB1 ASN 57 7.299 7.104 10.763 363 HD21 ASN 57 HD21 ASN 57 5.233 5.108 10.883 364 HD22 ASN 57 HD22 ASN 57 5.889 3.710 11.647 365 H ASP 58 HN ASP 58 4.853 4.419 9.259 366 HA ASP 58 HA ASP 58 6.318 2.576 7.700 367 HB2 ASP 58 HB2 ASP 58 3.508 2.597 8.767 368 HB3 ASP 58 HB1 ASP 58 4.100 1.285 7.761 369 H ALA 59 HN ALA 59 3.818 4.840 7.081 370 HA ALA 59 HA ALA 59 3.234 4.018 4.426 371 HB1 ALA 59 HB1 ALA 59 2.042 6.115 4.255 372 HB2 ALA 59 HB2 ALA 59 2.776 6.672 5.759 373 HB3 ALA 59 HB3 ALA 59 1.661 5.293 5.772 374 H VAL 60 HN VAL 60 5.443 6.442 5.853 375 HA VAL 60 HA VAL 60 6.111 7.496 3.281 376 HB VAL 60 HB VAL 60 7.785 8.834 4.309 377 HG11 VAL 60 HG11 VAL 60 6.566 9.947 6.107 378 HG12 VAL 60 HG12 VAL 60 5.460 8.576 6.193 379 HG13 VAL 60 HG13 VAL 60 5.529 9.564 4.733 380 HG21 VAL 60 HG21 VAL 60 7.562 7.054 6.725 381 HG22 VAL 60 HG22 VAL 60 8.476 8.560 6.662 382 HG23 VAL 60 HG23 VAL 60 8.937 7.207 5.627 383 H LYS 61 HN LYS 61 7.478 5.075 5.443 384 HA LYS 61 HA LYS 61 9.773 4.526 3.867 385 HB2 LYS 61 HB2 LYS 61 8.259 2.821 5.847 386 HB3 LYS 61 HB1 LYS 61 9.877 2.483 5.244 387 HG2 LYS 61 HG2 LYS 61 10.839 4.159 6.480 388 HG3 LYS 61 HG1 LYS 61 9.367 5.128 6.502 389 HD2 LYS 61 HD2 LYS 61 10.059 4.069 8.707 390 HD3 LYS 61 HD1 LYS 61 8.391 3.808 8.196 391 HE2 LYS 61 HE2 LYS 61 9.180 1.729 8.966 392 HE3 LYS 61 HE1 LYS 61 9.151 1.643 7.206 393 HZ1 LYS 61 HZ1 LYS 61 11.570 2.158 8.856 394 HZ2 LYS 61 HZ2 LYS 61 11.531 2.028 7.170 395 HZ3 LYS 61 HZ3 LYS 61 11.179 0.680 8.129 396 H PHE 62 HN PHE 62 6.461 3.306 3.918 397 HA PHE 62 HA PHE 62 6.671 1.324 1.949 398 HB2 PHE 62 HB2 PHE 62 4.621 1.660 3.248 399 HB3 PHE 62 HB1 PHE 62 4.402 3.249 2.530 400 HD1 PHE 62 HD2 PHE 62 4.225 -0.378 1.917 401 HD2 PHE 62 HD1 PHE 62 3.519 3.505 0.341 402 HE1 PHE 62 HE2 PHE 62 2.885 -1.366 0.116 403 HE2 PHE 62 HE1 PHE 62 2.170 2.524 -1.466 404 HZ PHE 62 HZ PHE 62 1.880 0.038 -1.570 405 H ARG 63 HN ARG 63 5.726 4.708 1.669 406 HA ARG 63 HA ARG 63 5.695 5.051 -1.044 407 HB2 ARG 63 HB2 ARG 63 4.957 6.756 0.451 408 HB3 ARG 63 HB1 ARG 63 6.518 6.854 1.231 409 HG2 ARG 63 HG2 ARG 63 6.274 7.584 -1.647 410 HG3 ARG 63 HG1 ARG 63 5.722 8.708 -0.403 411 HD2 ARG 63 HD2 ARG 63 8.086 8.192 0.657 412 HD3 ARG 63 HD1 ARG 63 8.477 7.728 -1.002 413 HE ARG 63 HE ARG 63 7.448 10.399 -0.293 414 HH11 ARG 63 HH11 ARG 63 9.658 8.341 -2.073 415 HH12 ARG 63 HH12 ARG 63 10.372 9.655 -2.944 416 HH21 ARG 63 HH21 ARG 63 8.407 12.130 -1.433 417 HH22 ARG 63 HH22 ARG 63 9.672 11.803 -2.578 418 H SER 64 HN SER 64 8.448 5.858 1.022 419 HA SER 64 HA SER 64 10.442 6.326 -0.666 420 HB2 SER 64 HB2 SER 64 10.708 6.215 1.789 421 HB3 SER 64 HB1 SER 64 10.736 4.456 1.697 422 HG SER 64 HG SER 64 12.578 6.157 0.358 423 H TRP 65 HN TRP 65 9.536 2.990 0.223 424 HA TRP 65 HA TRP 65 11.389 1.850 -1.636 425 HB2 TRP 65 HB2 TRP 65 11.103 0.479 0.175 426 HB3 TRP 65 HB1 TRP 65 9.388 0.832 0.305 427 HD1 TRP 65 HD1 TRP 65 11.806 -1.453 -1.638 428 HE1 TRP 65 HE1 TRP 65 10.452 -3.478 -2.511 429 HE3 TRP 65 HE3 TRP 65 7.196 0.143 -0.373 430 HZ2 TRP 65 HZ2 TRP 65 7.737 -4.235 -2.667 431 HZ3 TRP 65 HZ3 TRP 65 5.247 -1.264 -0.909 432 HH2 TRP 65 HH2 TRP 65 5.515 -3.417 -2.022 433 H TRP 66 HN TRP 66 7.858 2.201 -1.584 434 HA TRP 66 HA TRP 66 7.509 0.553 -3.892 435 HB2 TRP 66 HB2 TRP 66 5.867 0.842 -1.988 436 HB3 TRP 66 HB1 TRP 66 5.498 2.430 -2.654 437 HD1 TRP 66 HD1 TRP 66 3.339 2.369 -3.884 438 HE1 TRP 66 HE1 TRP 66 2.071 0.731 -5.389 439 HE3 TRP 66 HE3 TRP 66 6.660 -1.492 -3.874 440 HZ2 TRP 66 HZ2 TRP 66 2.414 -1.803 -6.431 441 HZ3 TRP 66 HZ3 TRP 66 6.101 -3.507 -5.171 442 HH2 TRP 66 HH2 TRP 66 4.019 -3.663 -6.425 443 H ASN 67 HN ASN 67 8.167 3.901 -3.422 444 HA ASN 67 HA ASN 67 6.869 4.651 -5.922 445 HB2 ASN 67 HB2 ASN 67 7.910 6.151 -3.582 446 HB3 ASN 67 HB1 ASN 67 7.919 6.962 -5.145 447 HD21 ASN 67 HD21 ASN 67 5.952 5.501 -2.695 448 HD22 ASN 67 HD22 ASN 67 4.466 6.218 -3.189 449 H SER 68 HN SER 68 9.742 3.432 -4.943 450 HA SER 68 HA SER 68 11.310 4.923 -6.886 451 HB2 SER 68 HB2 SER 68 12.158 2.636 -5.087 452 HB3 SER 68 HB1 SER 68 13.229 3.679 -6.026 453 HG SER 68 HG SER 68 11.844 4.205 -3.652 454 H ARG 69 HN ARG 69 9.363 2.236 -6.670 455 HA ARG 69 HA ARG 69 10.656 0.903 -8.931 456 HB2 ARG 69 HB2 ARG 69 9.017 -0.997 -7.876 457 HB3 ARG 69 HB1 ARG 69 10.718 -0.814 -7.505 458 HG2 ARG 69 HG2 ARG 69 10.313 0.202 -5.462 459 HG3 ARG 69 HG1 ARG 69 8.648 0.593 -5.873 460 HD2 ARG 69 HD2 ARG 69 8.789 -1.253 -4.269 461 HD3 ARG 69 HD1 ARG 69 8.052 -1.753 -5.791 462 HE ARG 69 HE ARG 69 10.912 -2.249 -5.352 463 HH11 ARG 69 HH11 ARG 69 7.659 -3.432 -5.757 464 HH12 ARG 69 HH12 ARG 69 8.128 -5.076 -6.028 465 HH21 ARG 69 HH21 ARG 69 11.567 -4.424 -5.697 466 HH22 ARG 69 HH22 ARG 69 10.365 -5.642 -5.982 467 H THR 70 HN THR 70 7.503 1.118 -7.375 468 HA THR 70 HA THR 70 6.184 0.774 -9.973 469 HB THR 70 HB THR 70 4.990 0.606 -7.229 470 HG1 THR 70 HG1 THR 70 5.316 -1.828 -8.180 471 HG21 THR 70 HG21 THR 70 3.354 0.833 -8.957 472 HG22 THR 70 HG22 THR 70 3.335 -0.835 -8.379 473 HG23 THR 70 HG23 THR 70 4.115 -0.441 -9.915 474 H LYS 71 HN LYS 71 5.659 2.500 -6.943 475 HA LYS 71 HA LYS 71 4.857 4.562 -6.435 476 HB2 LYS 71 HB2 LYS 71 4.754 5.093 -9.380 477 HB3 LYS 71 HB1 LYS 71 4.626 6.261 -8.084 478 HG2 LYS 71 HG2 LYS 71 6.898 5.726 -7.372 479 HG3 LYS 71 HG1 LYS 71 7.041 4.603 -8.718 480 HD2 LYS 71 HD2 LYS 71 8.140 6.636 -9.303 481 HD3 LYS 71 HD1 LYS 71 6.653 6.532 -10.258 482 HE2 LYS 71 HE2 LYS 71 5.543 8.019 -8.650 483 HE3 LYS 71 HE1 LYS 71 7.041 8.133 -7.730 484 HZ1 LYS 71 HZ1 LYS 71 8.097 9.127 -9.676 485 HZ2 LYS 71 HZ2 LYS 71 6.772 10.040 -9.160 486 HZ3 LYS 71 HZ3 LYS 71 6.636 9.053 -10.522 487 H MET 72 HN MET 72 3.353 2.134 -7.262 488 HA MET 72 HA MET 72 1.239 1.406 -7.575 489 HB2 MET 72 HB2 MET 72 -0.400 2.786 -6.004 490 HB3 MET 72 HB1 MET 72 0.830 1.715 -5.363 491 HG2 MET 72 HG2 MET 72 1.906 3.367 -4.360 492 HG3 MET 72 HG1 MET 72 1.826 4.425 -5.769 493 HE1 MET 72 HE1 MET 72 1.642 6.415 -3.941 494 HE2 MET 72 HE2 MET 72 1.610 5.259 -2.611 495 HE3 MET 72 HE3 MET 72 0.372 6.510 -2.722 496 H ALA 73 HN ALA 73 -0.573 4.070 -6.905 497 HA ALA 73 HA ALA 73 -1.446 5.222 -9.164 498 HB1 ALA 73 HB1 ALA 73 -1.509 3.059 -10.300 499 HB2 ALA 73 HB2 ALA 73 -3.141 3.677 -10.068 500 HB3 ALA 73 HB3 ALA 73 -2.526 2.403 -9.018 501 H ASN 74 HN ASN 74 -2.237 6.624 -7.731 502 HA ASN 74 HA ASN 74 -3.390 5.941 -5.273 503 HB2 ASN 74 HB2 ASN 74 -3.748 8.524 -6.822 504 HB3 ASN 74 HB1 ASN 74 -4.015 8.305 -5.100 505 HD21 ASN 74 HD21 ASN 74 -1.643 6.598 -4.823 506 HD22 ASN 74 HD22 ASN 74 -0.295 7.675 -4.886 507 H ASP 75 HN ASP 75 -4.903 4.327 -6.099 508 HA ASP 75 HA ASP 75 -7.029 3.574 -6.204 509 HB2 ASP 75 HB2 ASP 75 -7.346 5.881 -4.858 510 HB3 ASP 75 HB1 ASP 75 -8.325 6.234 -6.277 511 H TYR 76 HN TYR 76 -5.401 4.655 -8.548 512 HA TYR 76 HA TYR 76 -7.496 5.172 -10.492 513 HB2 TYR 76 HB2 TYR 76 -4.527 4.809 -10.850 514 HB3 TYR 76 HB1 TYR 76 -5.654 5.321 -12.099 515 HD1 TYR 76 HD1 TYR 76 -7.050 7.495 -11.488 516 HD2 TYR 76 HD2 TYR 76 -3.353 6.411 -9.692 517 HE1 TYR 76 HE1 TYR 76 -6.682 9.829 -10.846 518 HE2 TYR 76 HE2 TYR 76 -2.976 8.737 -9.043 519 HH TYR 76 HH TYR 76 -3.683 10.984 -9.769 Start of MODEL 20 1 H1 GLY 10 HT1 GLY 10 -12.859 7.015 -3.038 2 H2 GLY 10 HT2 GLY 10 -11.905 6.327 -4.250 3 H3 GLY 10 HT3 GLY 10 -11.547 7.873 -3.671 4 HA2 GLY 10 HA1 GLY 10 -10.003 6.279 -2.768 5 HA3 GLY 10 HA2 GLY 10 -11.006 6.980 -1.504 6 H THR 11 HN THR 11 -9.796 4.672 -0.906 7 HA THR 11 HA THR 11 -11.841 2.609 -1.268 8 HB THR 11 HB THR 11 -9.485 1.527 -0.124 9 HG1 THR 11 HG1 THR 11 -8.823 2.735 -2.588 10 HG21 THR 11 HG21 THR 11 -10.940 0.202 -1.434 11 HG22 THR 11 HG22 THR 11 -9.424 0.316 -2.344 12 HG23 THR 11 HG23 THR 11 -10.810 1.301 -2.812 13 H TYR 12 HN TYR 12 -10.547 1.112 0.921 14 HA TYR 12 HA TYR 12 -11.455 2.635 3.228 15 HB2 TYR 12 HB2 TYR 12 -12.368 -0.166 2.891 16 HB3 TYR 12 HB1 TYR 12 -13.044 1.097 3.910 17 HD1 TYR 12 HD2 TYR 12 -14.522 2.778 2.969 18 HD2 TYR 12 HD1 TYR 12 -12.976 -0.372 0.599 19 HE1 TYR 12 HE2 TYR 12 -16.217 3.252 1.251 20 HE2 TYR 12 HE1 TYR 12 -14.634 0.076 -1.126 21 HH TYR 12 HH TYR 12 -16.485 2.888 -1.228 22 H ARG 13 HN ARG 13 -11.438 0.747 5.104 23 HA ARG 13 HA ARG 13 -9.462 -1.277 4.833 24 HB2 ARG 13 HB2 ARG 13 -8.001 0.693 5.164 25 HB3 ARG 13 HB1 ARG 13 -8.838 1.029 6.671 26 HG2 ARG 13 HG2 ARG 13 -8.126 -1.227 7.474 27 HG3 ARG 13 HG1 ARG 13 -7.103 -1.351 6.040 28 HD2 ARG 13 HD2 ARG 13 -5.614 -0.492 7.532 29 HD3 ARG 13 HD1 ARG 13 -6.272 0.998 6.855 30 HE ARG 13 HE ARG 13 -7.422 -0.114 9.320 31 HH11 ARG 13 HH11 ARG 13 -5.827 2.530 7.656 32 HH12 ARG 13 HH12 ARG 13 -5.837 3.569 9.044 33 HH21 ARG 13 HH21 ARG 13 -7.454 1.265 11.130 34 HH22 ARG 13 HH22 ARG 13 -6.764 2.855 11.014 35 H GLY 14 HN GLY 14 -9.345 -2.581 6.839 36 HA2 GLY 14 HA2 GLY 14 -10.330 -3.588 8.662 37 HA3 GLY 14 HA1 GLY 14 -11.028 -2.023 9.056 38 H ARG 15 HN ARG 15 -11.646 -3.312 5.959 39 HA ARG 15 HA ARG 15 -14.187 -4.487 6.743 40 HB2 ARG 15 HB2 ARG 15 -15.321 -3.245 4.854 41 HB3 ARG 15 HB1 ARG 15 -14.892 -2.252 6.235 42 HG2 ARG 15 HG2 ARG 15 -13.943 -0.863 4.810 43 HG3 ARG 15 HG1 ARG 15 -12.689 -2.078 4.581 44 HD2 ARG 15 HD2 ARG 15 -13.614 -1.289 2.444 45 HD3 ARG 15 HD1 ARG 15 -13.907 -3.016 2.697 46 HE ARG 15 HE ARG 15 -16.069 -1.292 3.540 47 HH11 ARG 15 HH11 ARG 15 -14.731 -3.203 0.921 48 HH12 ARG 15 HH12 ARG 15 -16.217 -3.254 0.034 49 HH21 ARG 15 HH21 ARG 15 -18.025 -1.363 2.360 50 HH22 ARG 15 HH22 ARG 15 -18.087 -2.217 0.849 51 H GLY 16 HN GLY 16 -15.194 -5.030 4.234 52 HA2 GLY 16 HA2 GLY 16 -13.424 -7.063 3.282 53 HA3 GLY 16 HA1 GLY 16 -14.941 -6.573 2.538 54 H VAL 17 HN VAL 17 -11.789 -5.062 3.165 55 HA VAL 17 HA VAL 17 -11.948 -3.535 0.773 56 HB VAL 17 HB VAL 17 -9.393 -3.131 1.276 57 HG11 VAL 17 HG11 VAL 17 -11.623 -2.108 2.998 58 HG12 VAL 17 HG12 VAL 17 -11.223 -1.550 1.373 59 HG13 VAL 17 HG13 VAL 17 -10.074 -1.315 2.704 60 HG21 VAL 17 HG21 VAL 17 -8.994 -3.270 3.738 61 HG22 VAL 17 HG22 VAL 17 -9.069 -4.839 2.931 62 HG23 VAL 17 HG23 VAL 17 -10.446 -4.266 3.874 63 H ALA 18 HN ALA 18 -11.506 -3.969 -1.107 64 HA ALA 18 HA ALA 18 -9.692 -6.189 -1.785 65 HB1 ALA 18 HB1 ALA 18 -11.778 -4.798 -3.471 66 HB2 ALA 18 HB2 ALA 18 -11.931 -6.399 -2.749 67 HB3 ALA 18 HB3 ALA 18 -10.737 -6.113 -4.013 68 H LEU 19 HN LEU 19 -9.866 -3.003 -1.311 69 HA LEU 19 HA LEU 19 -8.647 -1.188 -1.794 70 HB2 LEU 19 HB2 LEU 19 -6.825 -2.424 -0.953 71 HB3 LEU 19 HB1 LEU 19 -6.680 -3.364 -2.405 72 HG LEU 19 HG LEU 19 -5.908 -1.302 -3.565 73 HD11 LEU 19 HD11 LEU 19 -6.968 0.345 -2.217 74 HD12 LEU 19 HD12 LEU 19 -5.223 0.587 -2.158 75 HD13 LEU 19 HD13 LEU 19 -6.053 -0.167 -0.799 76 HD21 LEU 19 HD21 LEU 19 -3.720 -1.172 -2.299 77 HD22 LEU 19 HD22 LEU 19 -4.210 -2.744 -2.921 78 HD23 LEU 19 HD23 LEU 19 -4.416 -2.372 -1.214 79 H THR 20 HN THR 20 -6.860 -2.737 -4.240 80 HA THR 20 HA THR 20 -8.441 -1.400 -6.305 81 HB THR 20 HB THR 20 -6.286 -0.909 -7.480 82 HG1 THR 20 HG1 THR 20 -4.401 -1.027 -6.189 83 HG21 THR 20 HG21 THR 20 -7.333 0.885 -6.261 84 HG22 THR 20 HG22 THR 20 -5.590 0.949 -5.975 85 HG23 THR 20 HG23 THR 20 -6.667 0.286 -4.742 86 H ASP 21 HN ASP 21 -7.453 -2.287 -8.563 87 HA ASP 21 HA ASP 21 -7.414 -5.169 -8.399 88 HB2 ASP 21 HB2 ASP 21 -8.405 -4.065 -10.375 89 HB3 ASP 21 HB1 ASP 21 -6.831 -3.382 -10.777 90 H ASP 22 HN ASP 22 -5.131 -2.552 -8.762 91 HA ASP 22 HA ASP 22 -2.963 -4.349 -9.472 92 HB2 ASP 22 HB2 ASP 22 -3.301 -2.130 -10.575 93 HB3 ASP 22 HB1 ASP 22 -2.881 -1.367 -9.045 94 H GLU 23 HN GLU 23 -3.364 -1.820 -6.995 95 HA GLU 23 HA GLU 23 -0.998 -2.384 -5.650 96 HB2 GLU 23 HB2 GLU 23 -3.519 -1.051 -4.640 97 HB3 GLU 23 HB1 GLU 23 -2.021 -1.159 -3.722 98 HG2 GLU 23 HG2 GLU 23 -1.845 0.928 -4.647 99 HG3 GLU 23 HG1 GLU 23 -0.903 -0.056 -5.751 100 H TYR 24 HN TYR 24 -4.252 -3.669 -5.068 101 HA TYR 24 HA TYR 24 -3.682 -4.937 -2.646 102 HB2 TYR 24 HB2 TYR 24 -5.937 -4.582 -3.668 103 HB3 TYR 24 HB1 TYR 24 -5.573 -5.869 -4.820 104 HD1 TYR 24 HD2 TYR 24 -5.318 -8.208 -4.023 105 HD2 TYR 24 HD1 TYR 24 -6.720 -5.118 -1.408 106 HE1 TYR 24 HE2 TYR 24 -6.236 -9.906 -2.504 107 HE2 TYR 24 HE1 TYR 24 -7.642 -6.828 0.089 108 HH TYR 24 HH TYR 24 -6.870 -10.120 -0.137 109 H ASP 25 HN ASP 25 -3.852 -6.566 -5.824 110 HA ASP 25 HA ASP 25 -2.306 -8.750 -5.481 111 HB2 ASP 25 HB2 ASP 25 -2.067 -6.802 -7.787 112 HB3 ASP 25 HB1 ASP 25 -1.368 -8.415 -7.786 113 H GLU 26 HN GLU 26 -0.994 -5.484 -5.913 114 HA GLU 26 HA GLU 26 1.713 -6.357 -5.811 115 HB2 GLU 26 HB2 GLU 26 0.435 -3.642 -5.664 116 HB3 GLU 26 HB1 GLU 26 2.179 -3.878 -5.617 117 HG2 GLU 26 HG2 GLU 26 0.304 -4.641 -7.845 118 HG3 GLU 26 HG1 GLU 26 1.498 -3.343 -7.857 119 H TRP 27 HN TRP 27 -0.589 -5.541 -3.371 120 HA TRP 27 HA TRP 27 1.157 -5.036 -1.224 121 HB2 TRP 27 HB2 TRP 27 -1.014 -4.658 -0.567 122 HB3 TRP 27 HB1 TRP 27 -1.645 -5.996 -1.518 123 HD1 TRP 27 HD1 TRP 27 0.347 -5.513 1.821 124 HE1 TRP 27 HE1 TRP 27 -0.410 -7.366 3.428 125 HE3 TRP 27 HE3 TRP 27 -2.797 -8.087 -1.294 126 HZ2 TRP 27 HZ2 TRP 27 -2.110 -9.589 3.397 127 HZ3 TRP 27 HZ3 TRP 27 -3.946 -10.078 -0.419 128 HH2 TRP 27 HH2 TRP 27 -3.604 -10.819 1.882 129 H ARG 28 HN ARG 28 -0.021 -7.963 -2.710 130 HA ARG 28 HA ARG 28 1.067 -9.814 -0.913 131 HB2 ARG 28 HB2 ARG 28 0.723 -10.203 -3.893 132 HB3 ARG 28 HB1 ARG 28 0.710 -11.447 -2.645 133 HG2 ARG 28 HG2 ARG 28 -1.357 -10.433 -1.721 134 HG3 ARG 28 HG1 ARG 28 -1.341 -9.279 -3.053 135 HD2 ARG 28 HD2 ARG 28 -1.568 -12.274 -3.290 136 HD3 ARG 28 HD1 ARG 28 -2.856 -11.099 -3.545 137 HE ARG 28 HE ARG 28 -0.556 -10.701 -5.229 138 HH11 ARG 28 HH11 ARG 28 -3.621 -12.361 -4.890 139 HH12 ARG 28 HH12 ARG 28 -3.805 -12.622 -6.595 140 HH21 ARG 28 HH21 ARG 28 -0.804 -11.027 -7.470 141 HH22 ARG 28 HH22 ARG 28 -2.208 -11.860 -8.066 142 H GLU 29 HN GLU 29 2.432 -8.190 -3.755 143 HA GLU 29 HA GLU 29 4.985 -9.477 -3.514 144 HB2 GLU 29 HB2 GLU 29 4.226 -8.451 -5.642 145 HB3 GLU 29 HB1 GLU 29 4.336 -6.863 -4.889 146 HG2 GLU 29 HG2 GLU 29 6.698 -7.049 -4.649 147 HG3 GLU 29 HG1 GLU 29 6.669 -8.745 -5.136 148 H HIS 30 HN HIS 30 3.556 -6.514 -2.261 149 HA HIS 30 HA HIS 30 5.800 -5.366 -1.076 150 HB2 HIS 30 HB2 HIS 30 3.661 -4.205 -1.113 151 HB3 HIS 30 HB1 HIS 30 2.935 -5.436 -0.094 152 HD1 HIS 30 HD1 HIS 30 2.289 -3.848 1.798 153 HD2 HIS 30 HD2 HIS 30 6.338 -3.733 0.886 154 HE1 HIS 30 HE1 HIS 30 3.355 -2.477 3.633 155 HE2 HIS 30 HE2 HIS 30 5.804 -2.404 3.043 156 H ASN 31 HN ASN 31 3.770 -8.036 -0.010 157 HA ASN 31 HA ASN 31 4.853 -8.487 2.523 158 HB2 ASN 31 HB2 ASN 31 3.721 -10.382 0.470 159 HB3 ASN 31 HB1 ASN 31 4.305 -10.949 2.029 160 HD21 ASN 31 HD21 ASN 31 3.177 -10.409 3.890 161 HD22 ASN 31 HD22 ASN 31 1.558 -9.800 3.841 162 H ALA 32 HN ALA 32 5.819 -9.794 -0.606 163 HA ALA 32 HA ALA 32 8.070 -11.225 0.285 164 HB1 ALA 32 HB1 ALA 32 8.674 -11.388 -2.031 165 HB2 ALA 32 HB2 ALA 32 7.599 -10.050 -2.441 166 HB3 ALA 32 HB3 ALA 32 6.929 -11.579 -1.865 167 H SER 33 HN SER 33 7.938 -8.093 -1.425 168 HA SER 33 HA SER 33 10.725 -7.814 -1.538 169 HB2 SER 33 HB2 SER 33 9.164 -6.682 -3.079 170 HB3 SER 33 HB1 SER 33 8.632 -5.642 -1.765 171 HG SER 33 HG SER 33 11.342 -5.837 -2.564 172 H ARG 34 HN ARG 34 8.385 -6.472 0.792 173 HA ARG 34 HA ARG 34 10.527 -5.006 2.089 174 HB2 ARG 34 HB2 ARG 34 7.573 -5.063 2.463 175 HB3 ARG 34 HB1 ARG 34 8.615 -4.381 3.705 176 HG2 ARG 34 HG2 ARG 34 8.429 -3.489 0.833 177 HG3 ARG 34 HG1 ARG 34 7.824 -2.628 2.252 178 HD2 ARG 34 HD2 ARG 34 10.686 -3.173 1.484 179 HD3 ARG 34 HD1 ARG 34 9.879 -1.612 1.632 180 HE ARG 34 HE ARG 34 9.648 -2.627 4.124 181 HH11 ARG 34 HH11 ARG 34 12.390 -2.234 1.984 182 HH12 ARG 34 HH12 ARG 34 13.521 -2.001 3.280 183 HH21 ARG 34 HH21 ARG 34 11.134 -2.330 5.826 184 HH22 ARG 34 HH22 ARG 34 12.811 -2.060 5.460 185 H LYS 35 HN LYS 35 9.707 -8.071 2.115 186 HA LYS 35 HA LYS 35 10.081 -9.835 3.454 187 HB2 LYS 35 HB2 LYS 35 11.983 -7.909 4.742 188 HB3 LYS 35 HB1 LYS 35 11.973 -9.642 5.032 189 HG2 LYS 35 HG2 LYS 35 12.360 -8.362 2.348 190 HG3 LYS 35 HG1 LYS 35 13.671 -8.916 3.389 191 HD2 LYS 35 HD2 LYS 35 12.762 -11.197 3.279 192 HD3 LYS 35 HD1 LYS 35 11.473 -10.624 2.221 193 HE2 LYS 35 HE2 LYS 35 13.239 -11.662 0.917 194 HE3 LYS 35 HE1 LYS 35 13.142 -9.939 0.566 195 HZ1 LYS 35 HZ1 LYS 35 15.096 -11.190 2.419 196 HZ2 LYS 35 HZ2 LYS 35 15.031 -9.556 1.993 197 HZ3 LYS 35 HZ3 LYS 35 15.432 -10.716 0.831 198 H LEU 36 HN LEU 36 7.766 -9.012 4.119 199 HA LEU 36 HA LEU 36 7.640 -9.149 7.008 200 HB2 LEU 36 HB2 LEU 36 5.689 -7.341 6.735 201 HB3 LEU 36 HB1 LEU 36 7.354 -6.874 7.064 202 HG LEU 36 HG LEU 36 7.679 -6.407 4.666 203 HD11 LEU 36 HD11 LEU 36 5.571 -6.276 3.286 204 HD12 LEU 36 HD12 LEU 36 4.820 -7.286 4.529 205 HD13 LEU 36 HD13 LEU 36 6.204 -7.887 3.618 206 HD21 LEU 36 HD21 LEU 36 5.255 -5.033 5.813 207 HD22 LEU 36 HD22 LEU 36 6.346 -4.404 4.563 208 HD23 LEU 36 HD23 LEU 36 6.934 -4.645 6.209 209 H ASP 37 HN ASP 37 5.048 -9.093 7.437 210 HA ASP 37 HA ASP 37 3.792 -10.866 5.477 211 HB2 ASP 37 HB2 ASP 37 4.924 -12.236 7.261 212 HB3 ASP 37 HB1 ASP 37 3.899 -11.443 8.450 213 H LEU 38 HN LEU 38 3.480 -8.187 5.931 214 HA LEU 38 HA LEU 38 1.508 -7.454 7.772 215 HB2 LEU 38 HB2 LEU 38 1.715 -5.382 6.865 216 HB3 LEU 38 HB1 LEU 38 3.165 -6.087 6.210 217 HG LEU 38 HG LEU 38 0.598 -6.094 4.690 218 HD11 LEU 38 HD11 LEU 38 1.415 -4.012 3.623 219 HD12 LEU 38 HD12 LEU 38 2.649 -3.914 4.881 220 HD13 LEU 38 HD13 LEU 38 0.940 -3.817 5.309 221 HD21 LEU 38 HD21 LEU 38 2.022 -6.345 2.789 222 HD22 LEU 38 HD22 LEU 38 2.559 -7.511 4.003 223 HD23 LEU 38 HD23 LEU 38 3.457 -6.014 3.754 224 H SER 39 HN SER 39 -0.682 -7.216 7.595 225 HA SER 39 HA SER 39 -1.992 -8.813 5.600 226 HB2 SER 39 HB2 SER 39 -3.272 -7.038 7.670 227 HB3 SER 39 HB1 SER 39 -3.990 -8.423 6.858 228 HG SER 39 HG SER 39 -1.941 -9.467 7.919 229 H VAL 40 HN VAL 40 -4.213 -7.592 4.793 230 HA VAL 40 HA VAL 40 -3.049 -5.847 2.853 231 HB VAL 40 HB VAL 40 -5.124 -7.560 2.701 232 HG11 VAL 40 HG11 VAL 40 -6.408 -4.842 2.998 233 HG12 VAL 40 HG12 VAL 40 -6.724 -6.282 3.968 234 HG13 VAL 40 HG13 VAL 40 -7.191 -6.245 2.267 235 HG21 VAL 40 HG21 VAL 40 -3.793 -6.588 0.928 236 HG22 VAL 40 HG22 VAL 40 -4.763 -5.109 1.017 237 HG23 VAL 40 HG23 VAL 40 -5.510 -6.631 0.527 238 H GLU 41 HN GLU 41 -5.403 -5.433 5.459 239 HA GLU 41 HA GLU 41 -6.082 -2.808 5.113 240 HB2 GLU 41 HB2 GLU 41 -5.451 -4.118 7.761 241 HB3 GLU 41 HB1 GLU 41 -6.412 -2.660 7.520 242 HG2 GLU 41 HG2 GLU 41 -8.104 -3.894 6.367 243 HG3 GLU 41 HG1 GLU 41 -7.116 -5.352 6.396 244 H ASP 42 HN ASP 42 -3.227 -4.025 6.866 245 HA ASP 42 HA ASP 42 -2.025 -1.642 7.493 246 HB2 ASP 42 HB2 ASP 42 -0.891 -4.342 6.829 247 HB3 ASP 42 HB1 ASP 42 0.162 -2.992 7.221 248 H PHE 43 HN PHE 43 -1.690 -3.478 4.452 249 HA PHE 43 HA PHE 43 0.105 -1.749 3.186 250 HB2 PHE 43 HB2 PHE 43 -0.454 -3.890 2.173 251 HB3 PHE 43 HB1 PHE 43 -2.125 -3.379 1.954 252 HD1 PHE 43 HD2 PHE 43 -2.569 -1.357 0.363 253 HD2 PHE 43 HD1 PHE 43 1.125 -3.491 0.492 254 HE1 PHE 43 HE2 PHE 43 -1.975 -0.436 -1.823 255 HE2 PHE 43 HE1 PHE 43 1.703 -2.594 -1.724 256 HZ PHE 43 HZ PHE 43 0.151 -1.071 -2.884 257 H LEU 44 HN LEU 44 -3.388 -1.843 3.203 258 HA LEU 44 HA LEU 44 -3.839 0.280 1.463 259 HB2 LEU 44 HB2 LEU 44 -5.741 -0.436 3.692 260 HB3 LEU 44 HB1 LEU 44 -6.132 0.114 2.068 261 HG LEU 44 HG LEU 44 -5.389 -2.612 3.011 262 HD11 LEU 44 HD11 LEU 44 -7.691 -2.255 2.717 263 HD12 LEU 44 HD12 LEU 44 -7.148 -3.191 1.309 264 HD13 LEU 44 HD13 LEU 44 -7.446 -1.449 1.166 265 HD21 LEU 44 HD21 LEU 44 -5.113 -3.203 0.552 266 HD22 LEU 44 HD22 LEU 44 -3.757 -2.451 1.389 267 HD23 LEU 44 HD23 LEU 44 -4.772 -1.485 0.320 268 H MET 45 HN MET 45 -3.112 0.221 4.861 269 HA MET 45 HA MET 45 -3.738 2.939 5.437 270 HB2 MET 45 HB2 MET 45 -1.524 1.282 6.666 271 HB3 MET 45 HB1 MET 45 -2.241 2.734 7.346 272 HG2 MET 45 HG2 MET 45 -4.407 1.476 7.427 273 HG3 MET 45 HG1 MET 45 -3.487 0.026 7.027 274 HE1 MET 45 HE1 MET 45 -1.171 -0.571 8.654 275 HE2 MET 45 HE2 MET 45 -0.908 0.260 10.183 276 HE3 MET 45 HE3 MET 45 -0.748 1.139 8.663 277 H LEU 46 HN LEU 46 -0.619 1.387 4.829 278 HA LEU 46 HA LEU 46 0.999 3.595 4.653 279 HB2 LEU 46 HB2 LEU 46 1.315 1.189 2.868 280 HB3 LEU 46 HB1 LEU 46 2.575 2.229 3.495 281 HG LEU 46 HG LEU 46 0.987 0.151 4.977 282 HD11 LEU 46 HD11 LEU 46 2.996 -0.517 3.681 283 HD12 LEU 46 HD12 LEU 46 3.092 -0.848 5.411 284 HD13 LEU 46 HD13 LEU 46 3.952 0.533 4.728 285 HD21 LEU 46 HD21 LEU 46 1.920 0.877 7.026 286 HD22 LEU 46 HD22 LEU 46 1.193 2.305 6.272 287 HD23 LEU 46 HD23 LEU 46 2.944 2.066 6.217 288 H ARG 47 HN ARG 47 -0.683 1.991 2.026 289 HA ARG 47 HA ARG 47 0.116 3.691 -0.072 290 HB2 ARG 47 HB2 ARG 47 -0.855 1.656 -0.706 291 HB3 ARG 47 HB1 ARG 47 -2.234 1.875 0.362 292 HG2 ARG 47 HG2 ARG 47 -2.627 3.957 -1.218 293 HG3 ARG 47 HG1 ARG 47 -1.753 2.935 -2.353 294 HD2 ARG 47 HD2 ARG 47 -3.342 1.189 -2.095 295 HD3 ARG 47 HD1 ARG 47 -4.107 2.015 -0.731 296 HE ARG 47 HE ARG 47 -5.409 3.112 -2.231 297 HH11 ARG 47 HH11 ARG 47 -2.398 2.454 -3.854 298 HH12 ARG 47 HH12 ARG 47 -3.012 2.815 -5.435 299 HH21 ARG 47 HH21 ARG 47 -6.221 3.633 -4.301 300 HH22 ARG 47 HH22 ARG 47 -5.172 3.529 -5.679 301 H HIS 48 HN HIS 48 -3.031 3.582 1.577 302 HA HIS 48 HA HIS 48 -4.262 5.808 0.664 303 HB2 HIS 48 HB2 HIS 48 -4.244 4.460 3.301 304 HB3 HIS 48 HB1 HIS 48 -5.034 6.030 3.204 305 HD1 HIS 48 HD1 HIS 48 -6.557 3.423 3.839 306 HD2 HIS 48 HD2 HIS 48 -6.216 5.070 0.047 307 HE1 HIS 48 HE1 HIS 48 -8.503 2.518 2.545 308 HE2 HIS 48 HE2 HIS 48 -8.273 3.496 0.244 309 H ARG 49 HN ARG 49 -1.983 5.816 3.417 310 HA ARG 49 HA ARG 49 -2.418 8.527 4.043 311 HB2 ARG 49 HB2 ARG 49 0.027 6.874 4.566 312 HB3 ARG 49 HB1 ARG 49 -0.345 8.431 5.315 313 HG2 ARG 49 HG2 ARG 49 -2.451 7.403 6.181 314 HG3 ARG 49 HG1 ARG 49 -1.848 5.846 5.605 315 HD2 ARG 49 HD2 ARG 49 0.292 6.729 6.922 316 HD3 ARG 49 HD1 ARG 49 -0.971 7.519 7.856 317 HE ARG 49 HE ARG 49 -0.626 4.614 7.525 318 HH11 ARG 49 HH11 ARG 49 -2.139 7.321 9.162 319 HH12 ARG 49 HH12 ARG 49 -2.703 6.361 10.491 320 HH21 ARG 49 HH21 ARG 49 -1.361 3.363 9.292 321 HH22 ARG 49 HH22 ARG 49 -2.257 4.123 10.568 322 H ALA 50 HN ALA 50 0.208 6.996 2.239 323 HA ALA 50 HA ALA 50 1.553 9.267 1.383 324 HB1 ALA 50 HB1 ALA 50 2.478 7.870 -0.402 325 HB2 ALA 50 HB2 ALA 50 1.241 6.647 -0.089 326 HB3 ALA 50 HB3 ALA 50 2.454 7.012 1.138 327 H ALA 51 HN ALA 51 -0.951 7.442 -0.415 328 HA ALA 51 HA ALA 51 -1.171 9.111 -2.590 329 HB1 ALA 51 HB1 ALA 51 -3.347 7.478 -1.296 330 HB2 ALA 51 HB2 ALA 51 -2.146 6.870 -2.440 331 HB3 ALA 51 HB3 ALA 51 -3.334 8.068 -2.956 332 H LEU 52 HN LEU 52 -2.656 9.428 0.590 333 HA LEU 52 HA LEU 52 -4.449 11.501 -0.384 334 HB2 LEU 52 HB2 LEU 52 -4.140 10.637 2.482 335 HB3 LEU 52 HB1 LEU 52 -5.530 11.385 1.707 336 HG LEU 52 HG LEU 52 -4.526 8.608 1.131 337 HD11 LEU 52 HD11 LEU 52 -5.458 8.793 3.367 338 HD12 LEU 52 HD12 LEU 52 -6.460 7.805 2.301 339 HD13 LEU 52 HD13 LEU 52 -6.947 9.460 2.689 340 HD21 LEU 52 HD21 LEU 52 -6.709 8.392 -0.037 341 HD22 LEU 52 HD22 LEU 52 -5.553 9.485 -0.803 342 HD23 LEU 52 HD23 LEU 52 -6.901 10.142 0.135 343 H GLY 53 HN GLY 53 -2.478 11.474 2.591 344 HA2 GLY 53 HA2 GLY 53 -0.623 13.399 1.900 345 HA3 GLY 53 HA1 GLY 53 -2.032 14.282 2.467 346 H ALA 54 HN ALA 54 -0.927 11.153 3.664 347 HA ALA 54 HA ALA 54 -0.383 12.425 6.259 348 HB1 ALA 54 HB1 ALA 54 -2.360 11.136 6.494 349 HB2 ALA 54 HB2 ALA 54 -1.056 10.228 7.260 350 HB3 ALA 54 HB3 ALA 54 -1.636 9.765 5.661 351 H ASP 55 HN ASP 55 1.508 11.975 7.251 352 HA ASP 55 HA ASP 55 3.359 10.302 5.701 353 HB2 ASP 55 HB2 ASP 55 3.896 12.857 7.219 354 HB3 ASP 55 HB1 ASP 55 5.170 11.810 6.603 355 H ASP 56 HN ASP 56 1.849 9.120 7.635 356 HA ASP 56 HA ASP 56 3.343 8.643 10.006 357 HB2 ASP 56 HB2 ASP 56 1.020 7.867 9.781 358 HB3 ASP 56 HB1 ASP 56 1.504 6.783 8.486 359 H ASN 57 HN ASN 57 5.273 7.627 10.209 360 HA ASN 57 HA ASN 57 6.938 7.351 8.125 361 HB2 ASN 57 HB2 ASN 57 8.358 5.925 9.555 362 HB3 ASN 57 HB1 ASN 57 7.848 7.434 10.295 363 HD21 ASN 57 HD21 ASN 57 7.667 3.987 10.383 364 HD22 ASN 57 HD22 ASN 57 6.807 3.862 11.874 365 H ASP 58 HN ASP 58 4.825 4.716 9.229 366 HA ASP 58 HA ASP 58 6.270 2.687 7.830 367 HB2 ASP 58 HB2 ASP 58 3.465 2.850 8.901 368 HB3 ASP 58 HB1 ASP 58 3.974 1.486 7.912 369 H ALA 59 HN ALA 59 3.585 4.754 7.137 370 HA ALA 59 HA ALA 59 3.084 3.923 4.491 371 HB1 ALA 59 HB1 ALA 59 1.847 5.988 4.255 372 HB2 ALA 59 HB2 ALA 59 2.581 6.617 5.729 373 HB3 ALA 59 HB3 ALA 59 1.494 5.223 5.807 374 H VAL 60 HN VAL 60 5.367 6.277 5.845 375 HA VAL 60 HA VAL 60 5.885 7.402 3.256 376 HB VAL 60 HB VAL 60 7.364 8.875 4.192 377 HG11 VAL 60 HG11 VAL 60 6.487 9.627 6.358 378 HG12 VAL 60 HG12 VAL 60 5.580 8.119 6.483 379 HG13 VAL 60 HG13 VAL 60 5.222 9.260 5.187 380 HG21 VAL 60 HG21 VAL 60 8.990 7.342 5.002 381 HG22 VAL 60 HG22 VAL 60 7.968 6.919 6.381 382 HG23 VAL 60 HG23 VAL 60 8.645 8.543 6.250 383 H LYS 61 HN LYS 61 7.431 5.007 5.355 384 HA LYS 61 HA LYS 61 9.632 4.575 3.612 385 HB2 LYS 61 HB2 LYS 61 8.381 2.849 5.743 386 HB3 LYS 61 HB1 LYS 61 9.938 2.538 4.980 387 HG2 LYS 61 HG2 LYS 61 10.958 4.330 6.010 388 HG3 LYS 61 HG1 LYS 61 9.427 5.182 6.265 389 HD2 LYS 61 HD2 LYS 61 10.585 4.126 8.306 390 HD3 LYS 61 HD1 LYS 61 8.856 3.843 8.090 391 HE2 LYS 61 HE2 LYS 61 9.893 1.772 8.686 392 HE3 LYS 61 HE1 LYS 61 9.396 1.700 6.998 393 HZ1 LYS 61 HZ1 LYS 61 11.628 0.776 7.417 394 HZ2 LYS 61 HZ2 LYS 61 12.154 2.306 7.905 395 HZ3 LYS 61 HZ3 LYS 61 11.645 2.055 6.313 396 H PHE 62 HN PHE 62 6.388 3.239 3.876 397 HA PHE 62 HA PHE 62 6.543 1.295 1.876 398 HB2 PHE 62 HB2 PHE 62 4.517 1.615 3.222 399 HB3 PHE 62 HB1 PHE 62 4.270 3.200 2.499 400 HD1 PHE 62 HD2 PHE 62 4.215 -0.405 1.907 401 HD2 PHE 62 HD1 PHE 62 3.290 3.426 0.307 402 HE1 PHE 62 HE2 PHE 62 2.928 -1.464 0.101 403 HE2 PHE 62 HE1 PHE 62 2.001 2.375 -1.492 404 HZ PHE 62 HZ PHE 62 1.822 -0.073 -1.599 405 H ARG 63 HN ARG 63 5.531 4.696 1.629 406 HA ARG 63 HA ARG 63 5.539 5.053 -1.055 407 HB2 ARG 63 HB2 ARG 63 4.801 6.804 0.254 408 HB3 ARG 63 HB1 ARG 63 6.244 6.805 1.240 409 HG2 ARG 63 HG2 ARG 63 6.674 7.452 -1.588 410 HG3 ARG 63 HG1 ARG 63 5.708 8.618 -0.669 411 HD2 ARG 63 HD2 ARG 63 7.474 8.499 1.083 412 HD3 ARG 63 HD1 ARG 63 8.474 7.607 -0.024 413 HE ARG 63 HE ARG 63 7.632 9.954 -1.303 414 HH11 ARG 63 HH11 ARG 63 9.731 8.968 1.327 415 HH12 ARG 63 HH12 ARG 63 10.772 10.345 1.174 416 HH21 ARG 63 HH21 ARG 63 8.989 11.778 -1.482 417 HH22 ARG 63 HH22 ARG 63 10.338 11.953 -0.405 418 H SER 64 HN SER 64 8.332 5.809 0.968 419 HA SER 64 HA SER 64 10.211 6.315 -0.859 420 HB2 SER 64 HB2 SER 64 10.526 6.299 1.621 421 HB3 SER 64 HB1 SER 64 10.763 4.556 1.535 422 HG SER 64 HG SER 64 12.296 6.206 -0.129 423 H TRP 65 HN TRP 65 9.442 3.008 0.232 424 HA TRP 65 HA TRP 65 11.280 1.778 -1.563 425 HB2 TRP 65 HB2 TRP 65 10.914 0.486 0.307 426 HB3 TRP 65 HB1 TRP 65 9.197 0.842 0.344 427 HD1 TRP 65 HD1 TRP 65 11.705 -1.495 -1.418 428 HE1 TRP 65 HE1 TRP 65 10.395 -3.546 -2.291 429 HE3 TRP 65 HE3 TRP 65 7.038 0.111 -0.383 430 HZ2 TRP 65 HZ2 TRP 65 7.679 -4.321 -2.549 431 HZ3 TRP 65 HZ3 TRP 65 5.115 -1.315 -0.960 432 HH2 TRP 65 HH2 TRP 65 5.431 -3.497 -2.010 433 H TRP 66 HN TRP 66 7.762 2.101 -1.560 434 HA TRP 66 HA TRP 66 7.419 0.468 -3.862 435 HB2 TRP 66 HB2 TRP 66 5.739 0.829 -2.011 436 HB3 TRP 66 HB1 TRP 66 5.436 2.422 -2.700 437 HD1 TRP 66 HD1 TRP 66 3.303 2.396 -4.031 438 HE1 TRP 66 HE1 TRP 66 2.099 0.756 -5.591 439 HE3 TRP 66 HE3 TRP 66 6.579 -1.504 -3.809 440 HZ2 TRP 66 HZ2 TRP 66 2.479 -1.800 -6.590 441 HZ3 TRP 66 HZ3 TRP 66 6.080 -3.524 -5.117 442 HH2 TRP 66 HH2 TRP 66 4.066 -3.674 -6.481 443 H ASN 67 HN ASN 67 7.891 3.868 -3.346 444 HA ASN 67 HA ASN 67 6.861 4.568 -5.949 445 HB2 ASN 67 HB2 ASN 67 7.883 6.090 -3.620 446 HB3 ASN 67 HB1 ASN 67 7.947 6.861 -5.201 447 HD21 ASN 67 HD21 ASN 67 5.896 5.547 -2.739 448 HD22 ASN 67 HD22 ASN 67 4.431 6.267 -3.297 449 H SER 68 HN SER 68 9.607 3.180 -4.981 450 HA SER 68 HA SER 68 11.303 4.662 -6.827 451 HB2 SER 68 HB2 SER 68 11.999 2.313 -5.040 452 HB3 SER 68 HB1 SER 68 13.140 3.235 -6.018 453 HG SER 68 HG SER 68 11.813 3.962 -3.655 454 H ARG 69 HN ARG 69 9.136 2.190 -6.764 455 HA ARG 69 HA ARG 69 10.435 0.709 -8.913 456 HB2 ARG 69 HB2 ARG 69 8.623 -1.048 -7.802 457 HB3 ARG 69 HB1 ARG 69 10.351 -1.034 -7.548 458 HG2 ARG 69 HG2 ARG 69 10.167 0.126 -5.512 459 HG3 ARG 69 HG1 ARG 69 8.462 0.471 -5.781 460 HD2 ARG 69 HD2 ARG 69 8.798 -1.342 -4.165 461 HD3 ARG 69 HD1 ARG 69 7.926 -1.880 -5.599 462 HE ARG 69 HE ARG 69 10.815 -2.363 -5.246 463 HH11 ARG 69 HH11 ARG 69 7.591 -3.468 -6.033 464 HH12 ARG 69 HH12 ARG 69 8.087 -5.081 -6.430 465 HH21 ARG 69 HH21 ARG 69 11.490 -4.479 -5.792 466 HH22 ARG 69 HH22 ARG 69 10.314 -5.656 -6.289 467 H THR 70 HN THR 70 7.269 1.055 -7.412 468 HA THR 70 HA THR 70 5.986 0.870 -10.050 469 HB THR 70 HB THR 70 4.786 0.542 -7.321 470 HG1 THR 70 HG1 THR 70 5.127 -1.734 -8.840 471 HG21 THR 70 HG21 THR 70 3.118 1.015 -8.949 472 HG22 THR 70 HG22 THR 70 3.042 -0.711 -8.583 473 HG23 THR 70 HG23 THR 70 3.802 -0.156 -10.078 474 H LYS 71 HN LYS 71 5.498 2.435 -6.923 475 HA LYS 71 HA LYS 71 4.845 4.537 -6.330 476 HB2 LYS 71 HB2 LYS 71 4.752 5.124 -9.256 477 HB3 LYS 71 HB1 LYS 71 4.609 6.282 -7.954 478 HG2 LYS 71 HG2 LYS 71 6.840 5.810 -7.212 479 HG3 LYS 71 HG1 LYS 71 7.014 4.566 -8.445 480 HD2 LYS 71 HD2 LYS 71 8.162 6.566 -9.122 481 HD3 LYS 71 HD1 LYS 71 6.759 6.315 -10.171 482 HE2 LYS 71 HE2 LYS 71 5.496 7.966 -8.949 483 HE3 LYS 71 HE1 LYS 71 6.799 8.146 -7.776 484 HZ1 LYS 71 HZ1 LYS 71 8.201 9.068 -9.462 485 HZ2 LYS 71 HZ2 LYS 71 6.742 9.921 -9.467 486 HZ3 LYS 71 HZ3 LYS 71 7.053 8.771 -10.666 487 H MET 72 HN MET 72 3.149 2.234 -7.567 488 HA MET 72 HA MET 72 0.983 1.693 -7.886 489 HB2 MET 72 HB2 MET 72 -0.532 2.666 -6.049 490 HB3 MET 72 HB1 MET 72 0.855 1.720 -5.571 491 HG2 MET 72 HG2 MET 72 1.492 3.361 -4.285 492 HG3 MET 72 HG1 MET 72 1.738 4.380 -5.703 493 HE1 MET 72 HE1 MET 72 1.013 5.367 -2.683 494 HE2 MET 72 HE2 MET 72 -0.110 6.671 -3.067 495 HE3 MET 72 HE3 MET 72 1.349 6.450 -4.034 496 H ALA 73 HN ALA 73 -1.328 3.239 -7.253 497 HA ALA 73 HA ALA 73 -1.411 5.374 -9.172 498 HB1 ALA 73 HB1 ALA 73 -1.989 3.463 -10.523 499 HB2 ALA 73 HB2 ALA 73 -3.440 4.414 -10.220 500 HB3 ALA 73 HB3 ALA 73 -3.154 2.928 -9.318 501 H ASN 74 HN ASN 74 -1.497 6.495 -7.254 502 HA ASN 74 HA ASN 74 -2.536 6.283 -4.917 503 HB2 ASN 74 HB2 ASN 74 -2.866 8.730 -6.636 504 HB3 ASN 74 HB1 ASN 74 -3.197 8.723 -4.906 505 HD21 ASN 74 HD21 ASN 74 -1.585 9.936 -4.126 506 HD22 ASN 74 HD22 ASN 74 0.094 9.577 -4.313 507 H ASP 75 HN ASP 75 -4.773 7.332 -7.502 508 HA ASP 75 HA ASP 75 -6.879 5.838 -6.179 509 HB2 ASP 75 HB2 ASP 75 -6.822 8.199 -5.171 510 HB3 ASP 75 HB1 ASP 75 -7.330 8.778 -6.751 511 H TYR 76 HN TYR 76 -5.355 5.790 -8.686 512 HA TYR 76 HA TYR 76 -7.389 6.543 -10.664 513 HB2 TYR 76 HB2 TYR 76 -4.484 5.867 -11.062 514 HB3 TYR 76 HB1 TYR 76 -5.581 6.534 -12.270 515 HD1 TYR 76 HD1 TYR 76 -6.634 8.845 -11.687 516 HD2 TYR 76 HD2 TYR 76 -3.137 7.303 -9.821 517 HE1 TYR 76 HE1 TYR 76 -5.991 11.111 -11.035 518 HE2 TYR 76 HE2 TYR 76 -2.485 9.569 -9.159 519 HH TYR 76 HH TYR 76 -2.912 11.914 -9.934
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