NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21406 | 2hjj | 7261 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 10 H GLY 10 11.606 2.530 5.471 2 1HA GLY 10 2HA GLY 10 10.213 4.241 6.140 3 2HA GLY 10 1HA GLY 10 11.216 5.350 5.219 4 HA PRO 11 HA PRO 11 7.642 5.549 2.540 5 1HB PRO 11 2HB PRO 11 8.656 7.322 0.758 6 2HB PRO 11 1HB PRO 11 8.045 7.797 2.346 7 1HG PRO 11 2HG PRO 11 10.852 7.475 1.414 8 2HG PRO 11 1HG PRO 11 10.170 8.638 2.558 9 1HD PRO 11 2HD PRO 11 11.570 6.362 3.263 10 2HD PRO 11 1HD PRO 11 10.445 7.231 4.322 11 H PHE 12 H PHE 12 7.330 5.448 0.082 12 HA PHE 12 HA PHE 12 9.255 3.539 -1.074 13 1HB PHE 12 2HB PHE 12 7.314 2.324 -2.070 14 2HB PHE 12 1HB PHE 12 7.395 2.225 -0.318 15 HD1 PHE 12 HD1 PHE 12 5.893 3.809 1.020 16 HD2 PHE 12 HD2 PHE 12 5.365 3.031 -3.127 17 HE1 PHE 12 HE1 PHE 12 3.562 4.550 1.185 18 HE2 PHE 12 HE2 PHE 12 3.018 3.769 -2.963 19 HZ PHE 12 HZ PHE 12 2.122 4.533 -0.806 20 H THR 13 H THR 13 8.336 3.146 -3.498 21 HA THR 13 HA THR 13 8.008 5.808 -4.700 22 HB THR 13 HB THR 13 9.391 5.134 -6.564 23 HG1 THR 13 HG1 THR 13 10.526 2.929 -6.069 24 1HG2 THR 13 1HG2 THR 13 10.722 4.383 -3.962 25 2HG2 THR 13 2HG2 THR 13 10.582 6.014 -4.620 26 3HG2 THR 13 3HG2 THR 13 11.556 4.806 -5.459 27 H ARG 14 H ARG 14 7.120 5.637 -6.980 28 HA ARG 14 HA ARG 14 4.679 4.285 -7.077 29 1HB ARG 14 2HB ARG 14 5.655 6.246 -8.498 30 2HB ARG 14 1HB ARG 14 6.199 4.971 -9.566 31 1HG ARG 14 2HG ARG 14 4.011 4.289 -10.069 32 2HG ARG 14 1HG ARG 14 3.331 5.196 -8.716 33 1HD ARG 14 2HD ARG 14 3.875 7.291 -9.801 34 2HD ARG 14 1HD ARG 14 4.680 6.434 -11.115 35 HE ARG 14 HE ARG 14 2.591 5.767 -11.947 36 1HH1 ARG 14 1HH1 ARG 14 2.286 7.815 -9.117 37 2HH1 ARG 14 2HH1 ARG 14 0.610 8.185 -9.407 38 1HH2 ARG 14 1HH2 ARG 14 0.386 6.279 -12.336 39 2HH2 ARG 14 2HH2 ARG 14 -0.464 7.309 -11.213 40 H ARG 15 H ARG 15 7.851 3.413 -8.338 41 HA ARG 15 HA ARG 15 7.081 1.029 -9.629 42 1HB ARG 15 2HB ARG 15 9.763 1.723 -8.433 43 2HB ARG 15 1HB ARG 15 9.446 0.453 -9.593 44 1HG ARG 15 2HG ARG 15 8.576 2.355 -11.103 45 2HG ARG 15 1HG ARG 15 9.473 3.405 -10.002 46 1HD ARG 15 2HD ARG 15 10.524 1.195 -11.749 47 2HD ARG 15 1HD ARG 15 10.948 2.905 -11.778 48 HE ARG 15 HE ARG 15 11.601 1.781 -9.262 49 1HH1 ARG 15 1HH1 ARG 15 12.660 1.819 -12.604 50 2HH1 ARG 15 2HH1 ARG 15 14.312 1.441 -12.204 51 1HH2 ARG 15 1HH2 ARG 15 13.770 1.261 -8.755 52 2HH2 ARG 15 2HH2 ARG 15 14.937 1.116 -10.030 53 H GLN 16 H GLN 16 8.567 1.570 -6.425 54 HA GLN 16 HA GLN 16 8.613 -1.083 -5.574 55 1HB GLN 16 2HB GLN 16 8.435 1.519 -4.108 56 2HB GLN 16 1HB GLN 16 8.363 0.006 -3.225 57 1HG GLN 16 2HG GLN 16 10.609 0.749 -5.082 58 2HG GLN 16 1HG GLN 16 10.618 1.070 -3.347 59 1HE2 GLN 16 1HE2 GLN 16 12.410 -0.613 -4.904 60 2HE2 GLN 16 2HE2 GLN 16 12.273 -2.204 -4.237 61 H ALA 17 H ALA 17 6.092 1.378 -5.095 62 HA ALA 17 HA ALA 17 4.228 -0.049 -3.647 63 1HB ALA 17 1HB ALA 17 3.685 1.860 -5.922 64 2HB ALA 17 2HB ALA 17 3.930 2.291 -4.228 65 3HB ALA 17 3HB ALA 17 2.513 1.356 -4.705 66 H GLN 18 H GLN 18 4.532 0.027 -7.192 67 HA GLN 18 HA GLN 18 2.484 -1.713 -7.840 68 1HB GLN 18 2HB GLN 18 5.120 -1.133 -9.159 69 2HB GLN 18 1HB GLN 18 3.948 -2.225 -9.866 70 1HG GLN 18 2HG GLN 18 2.329 -0.472 -10.056 71 2HG GLN 18 1HG GLN 18 3.370 0.636 -9.162 72 1HE2 GLN 18 1HE2 GLN 18 5.161 1.517 -10.168 73 2HE2 GLN 18 2HE2 GLN 18 5.378 1.487 -11.889 74 H ALA 19 H ALA 19 5.801 -2.428 -6.873 75 HA ALA 19 HA ALA 19 5.696 -5.194 -7.518 76 1HB ALA 19 1HB ALA 19 7.554 -3.725 -5.656 77 2HB ALA 19 2HB ALA 19 7.803 -3.975 -7.384 78 3HB ALA 19 3HB ALA 19 7.796 -5.355 -6.285 79 H VAL 20 H VAL 20 4.556 -3.365 -4.804 80 HA VAL 20 HA VAL 20 4.749 -5.660 -2.994 81 HB VAL 20 HB VAL 20 3.546 -2.952 -2.369 82 1HG1 VAL 20 1HG1 VAL 20 2.990 -4.735 -0.809 83 2HG1 VAL 20 2HG1 VAL 20 4.061 -3.557 -0.050 84 3HG1 VAL 20 3HG1 VAL 20 4.701 -5.107 -0.598 85 1HG2 VAL 20 1HG2 VAL 20 6.417 -3.823 -2.026 86 2HG2 VAL 20 2HG2 VAL 20 5.715 -2.346 -1.363 87 3HG2 VAL 20 3HG2 VAL 20 5.822 -2.565 -3.110 88 H THR 21 H THR 21 2.753 -4.124 -5.173 89 HA THR 21 HA THR 21 0.255 -5.030 -3.948 90 HB THR 21 HB THR 21 0.606 -3.339 -6.430 91 HG1 THR 21 HG1 THR 21 1.576 -2.228 -4.692 92 1HG2 THR 21 1HG2 THR 21 -1.635 -3.643 -4.465 93 2HG2 THR 21 2HG2 THR 21 -1.566 -4.395 -6.056 94 3HG2 THR 21 3HG2 THR 21 -1.649 -2.638 -5.911 95 H THR 22 H THR 22 2.396 -5.395 -6.656 96 HA THR 22 HA THR 22 0.980 -7.330 -8.107 97 HB THR 22 HB THR 22 3.933 -6.841 -7.701 98 HG1 THR 22 HG1 THR 22 2.890 -5.222 -8.862 99 1HG2 THR 22 1HG2 THR 22 3.597 -9.180 -8.284 100 2HG2 THR 22 2HG2 THR 22 4.347 -8.292 -9.607 101 3HG2 THR 22 3HG2 THR 22 2.634 -8.702 -9.681 102 H THR 23 H THR 23 3.091 -7.467 -5.294 103 HA THR 23 HA THR 23 2.910 -10.301 -4.995 104 HB THR 23 HB THR 23 3.710 -8.234 -2.938 105 HG1 THR 23 HG1 THR 23 5.147 -8.017 -4.598 106 1HG2 THR 23 1HG2 THR 23 3.207 -10.434 -1.976 107 2HG2 THR 23 2HG2 THR 23 4.938 -10.095 -1.909 108 3HG2 THR 23 3HG2 THR 23 4.300 -11.193 -3.134 109 H TYR 24 H TYR 24 1.489 -7.553 -3.118 110 HA TYR 24 HA TYR 24 -0.483 -9.481 -2.125 111 1HB TYR 24 2HB TYR 24 0.254 -6.759 -1.029 112 2HB TYR 24 1HB TYR 24 -0.824 -7.921 -0.274 113 HD1 TYR 24 HD1 TYR 24 0.181 -10.147 0.491 114 HD2 TYR 24 HD2 TYR 24 2.559 -6.814 -0.656 115 HE1 TYR 24 HE1 TYR 24 2.120 -11.137 1.639 116 HE2 TYR 24 HE2 TYR 24 4.499 -7.788 0.494 117 HH TYR 24 HH TYR 24 4.451 -11.039 1.738 118 H SER 25 H SER 25 -2.072 -9.470 -3.618 119 HA SER 25 HA SER 25 -2.875 -7.194 -5.096 120 1HB SER 25 2HB SER 25 -4.867 -8.776 -5.626 121 2HB SER 25 1HB SER 25 -3.251 -9.246 -6.158 122 HG SER 25 HG SER 25 -4.913 -10.458 -4.357 123 H ASN 26 H ASN 26 -3.383 -7.991 -1.933 124 HA ASN 26 HA ASN 26 -6.034 -6.891 -1.676 125 1HB ASN 26 2HB ASN 26 -5.732 -7.204 0.716 126 2HB ASN 26 1HB ASN 26 -5.223 -8.657 -0.134 127 1HD2 ASN 26 1HD2 ASN 26 -4.319 -6.165 1.994 128 2HD2 ASN 26 2HD2 ASN 26 -2.670 -6.644 2.214 129 H ILE 27 H ILE 27 -2.957 -5.659 -2.131 130 HA ILE 27 HA ILE 27 -3.510 -3.131 -0.779 131 HB ILE 27 HB ILE 27 -1.250 -3.527 -2.715 132 1HG1 ILE 27 2HG1 ILE 27 -1.382 -4.648 0.073 133 2HG1 ILE 27 1HG1 ILE 27 -0.926 -5.449 -1.403 134 1HG2 ILE 27 1HG2 ILE 27 -1.552 -1.907 -0.192 135 2HG2 ILE 27 2HG2 ILE 27 -1.617 -1.301 -1.846 136 3HG2 ILE 27 3HG2 ILE 27 -0.109 -1.954 -1.207 137 1HD1 ILE 27 1HD1 ILE 27 1.115 -4.157 -1.512 138 2HD1 ILE 27 2HD1 ILE 27 0.997 -5.027 0.019 139 3HD1 ILE 27 3HD1 ILE 27 0.658 -3.298 -0.041 140 H THR 28 H THR 28 -3.549 -1.107 -2.089 141 HA THR 28 HA THR 28 -4.032 -1.408 -4.926 142 HB THR 28 HB THR 28 -6.245 0.117 -4.260 143 HG1 THR 28 HG1 THR 28 -5.677 -1.342 -2.119 144 1HG2 THR 28 1HG2 THR 28 -7.523 -1.826 -5.071 145 2HG2 THR 28 2HG2 THR 28 -6.079 -2.826 -4.910 146 3HG2 THR 28 3HG2 THR 28 -6.110 -1.500 -6.072 147 H LEU 29 H LEU 29 -3.490 0.379 -6.046 148 HA LEU 29 HA LEU 29 -2.474 2.635 -4.506 149 1HB LEU 29 2HB LEU 29 -1.186 1.478 -6.367 150 2HB LEU 29 1HB LEU 29 -2.322 2.195 -7.489 151 HG LEU 29 HG LEU 29 -0.687 3.904 -5.623 152 1HD1 LEU 29 1HD1 LEU 29 0.080 2.946 -8.375 153 2HD1 LEU 29 2HD1 LEU 29 0.873 2.506 -6.864 154 3HD1 LEU 29 3HD1 LEU 29 0.929 4.173 -7.438 155 1HD2 LEU 29 1HD2 LEU 29 -1.041 5.586 -7.367 156 2HD2 LEU 29 2HD2 LEU 29 -2.572 4.981 -6.736 157 3HD2 LEU 29 3HD2 LEU 29 -1.979 4.420 -8.301 158 H GLU 30 H GLU 30 -3.918 4.164 -4.010 159 HA GLU 30 HA GLU 30 -5.691 5.115 -6.151 160 1HB GLU 30 2HB GLU 30 -6.516 4.807 -3.257 161 2HB GLU 30 1HB GLU 30 -7.510 5.451 -4.556 162 1HG GLU 30 2HG GLU 30 -7.181 3.179 -5.682 163 2HG GLU 30 1HG GLU 30 -6.608 2.632 -4.108 164 H ASP 31 H ASP 31 -6.747 7.284 -5.316 165 HA ASP 31 HA ASP 31 -6.428 9.491 -4.915 166 1HB ASP 31 2HB ASP 31 -4.626 8.336 -2.800 167 2HB ASP 31 1HB ASP 31 -4.809 10.075 -3.008 168 H ASP 32 H ASP 32 -4.923 8.195 -6.961 169 HA ASP 32 HA ASP 32 -2.211 9.044 -6.914 170 1HB ASP 32 2HB ASP 32 -2.886 7.101 -8.213 171 2HB ASP 32 1HB ASP 32 -3.925 8.107 -9.216 172 H GLN 33 H GLN 33 -1.425 10.928 -7.268 173 HA GLN 33 HA GLN 33 -2.754 12.796 -9.110 174 1HB GLN 33 2HB GLN 33 -3.238 13.372 -6.723 175 2HB GLN 33 1HB GLN 33 -1.513 13.516 -6.443 176 1HG GLN 33 2HG GLN 33 -1.455 15.340 -8.137 177 2HG GLN 33 1HG GLN 33 -3.216 15.248 -8.217 178 1HE2 GLN 33 1HE2 GLN 33 -4.438 15.968 -6.479 179 2HE2 GLN 33 2HE2 GLN 33 -3.765 16.935 -5.210 180 H GLY 34 H GLY 34 -0.385 10.868 -9.075 181 1HA GLY 34 2HA GLY 34 1.478 11.247 -10.614 182 2HA GLY 34 1HA GLY 34 1.676 12.834 -9.882 183 H SER 35 H SER 35 2.759 13.037 -7.934 184 HA SER 35 HA SER 35 4.147 10.620 -7.011 185 1HB SER 35 2HB SER 35 5.487 12.679 -7.599 186 2HB SER 35 1HB SER 35 4.713 13.496 -6.243 187 HG SER 35 HG SER 35 5.547 11.580 -4.993 188 H HIS 36 H HIS 36 1.631 12.763 -6.295 189 HA HIS 36 HA HIS 36 1.515 12.010 -3.476 190 1HB HIS 36 2HB HIS 36 -0.299 13.782 -5.128 191 2HB HIS 36 1HB HIS 36 -0.506 13.462 -3.414 192 HD1 HIS 36 HD1 HIS 36 0.107 16.274 -4.884 193 HD2 HIS 36 HD2 HIS 36 2.731 13.943 -2.658 194 HE1 HIS 36 HE1 HIS 36 1.879 17.856 -4.053 195 HE2 HIS 36 HE2 HIS 36 3.273 16.465 -2.474 196 H PHE 37 H PHE 37 0.796 10.012 -3.159 197 HA PHE 37 HA PHE 37 -1.856 9.300 -3.910 198 1HB PHE 37 2HB PHE 37 -1.320 7.266 -5.182 199 2HB PHE 37 1HB PHE 37 -0.721 8.691 -6.015 200 HD1 PHE 37 HD1 PHE 37 0.179 5.617 -4.287 201 HD2 PHE 37 HD2 PHE 37 1.667 9.124 -6.186 202 HE1 PHE 37 HE1 PHE 37 2.406 4.587 -4.432 203 HE2 PHE 37 HE2 PHE 37 3.899 8.097 -6.338 204 HZ PHE 37 HZ PHE 37 4.270 5.827 -5.458 205 H ARG 38 H ARG 38 -2.437 7.150 -2.943 206 HA ARG 38 HA ARG 38 -0.511 6.300 -0.911 207 1HB ARG 38 2HB ARG 38 -2.289 6.270 0.829 208 2HB ARG 38 1HB ARG 38 -1.822 7.877 0.304 209 1HG ARG 38 2HG ARG 38 -3.830 8.000 -1.084 210 2HG ARG 38 1HG ARG 38 -4.309 6.397 -0.513 211 1HD ARG 38 2HD ARG 38 -4.494 7.176 1.736 212 2HD ARG 38 1HD ARG 38 -3.763 8.723 1.321 213 HE ARG 38 HE ARG 38 -6.160 8.239 -0.168 214 1HH1 ARG 38 1HH1 ARG 38 -4.923 9.309 2.940 215 2HH1 ARG 38 2HH1 ARG 38 -6.307 10.291 3.305 216 1HH2 ARG 38 1HH2 ARG 38 -7.995 9.510 0.317 217 2HH2 ARG 38 2HH2 ARG 38 -8.085 10.364 1.831 218 H LEU 39 H LEU 39 -0.699 4.229 -0.176 219 HA LEU 39 HA LEU 39 -2.186 2.486 -1.974 220 1HB LEU 39 2HB LEU 39 -0.092 1.848 0.099 221 2HB LEU 39 1HB LEU 39 -0.858 0.674 -0.938 222 HG LEU 39 HG LEU 39 0.851 2.949 -1.904 223 1HD1 LEU 39 1HD1 LEU 39 2.484 1.185 -2.412 224 2HD1 LEU 39 2HD1 LEU 39 1.441 0.006 -1.616 225 3HD1 LEU 39 3HD1 LEU 39 2.163 1.318 -0.683 226 1HD2 LEU 39 1HD2 LEU 39 0.776 1.751 -4.049 227 2HD2 LEU 39 2HD2 LEU 39 -0.819 2.303 -3.540 228 3HD2 LEU 39 3HD2 LEU 39 -0.374 0.607 -3.355 229 H VAL 40 H VAL 40 -3.967 1.545 -1.426 230 HA VAL 40 HA VAL 40 -4.881 1.704 1.348 231 HB VAL 40 HB VAL 40 -6.455 0.843 -1.087 232 1HG1 VAL 40 1HG1 VAL 40 -7.378 0.056 1.017 233 2HG1 VAL 40 2HG1 VAL 40 -8.401 1.318 0.330 234 3HG1 VAL 40 3HG1 VAL 40 -7.322 1.691 1.675 235 1HG2 VAL 40 1HG2 VAL 40 -6.297 3.559 0.219 236 2HG2 VAL 40 2HG2 VAL 40 -7.434 3.096 -1.047 237 3HG2 VAL 40 3HG2 VAL 40 -5.705 3.131 -1.387 238 H VAL 41 H VAL 41 -4.263 0.042 2.540 239 HA VAL 41 HA VAL 41 -3.950 -2.619 1.457 240 HB VAL 41 HB VAL 41 -3.848 -1.664 4.333 241 1HG1 VAL 41 1HG1 VAL 41 -2.982 -4.287 3.132 242 2HG1 VAL 41 2HG1 VAL 41 -4.434 -4.034 4.101 243 3HG1 VAL 41 3HG1 VAL 41 -2.840 -3.813 4.825 244 1HG2 VAL 41 1HG2 VAL 41 -1.629 -2.274 2.380 245 2HG2 VAL 41 2HG2 VAL 41 -1.404 -1.935 4.098 246 3HG2 VAL 41 3HG2 VAL 41 -2.053 -0.688 3.028 247 H ARG 42 H ARG 42 -5.661 -3.812 1.063 248 HA ARG 42 HA ARG 42 -8.042 -3.557 2.763 249 1HB ARG 42 2HB ARG 42 -7.666 -4.669 -0.019 250 2HB ARG 42 1HB ARG 42 -9.167 -4.794 0.887 251 1HG ARG 42 2HG ARG 42 -9.560 -2.495 0.789 252 2HG ARG 42 1HG ARG 42 -7.886 -2.143 0.343 253 1HD ARG 42 2HD ARG 42 -8.240 -2.583 -1.838 254 2HD ARG 42 1HD ARG 42 -9.329 -3.926 -1.494 255 HE ARG 42 HE ARG 42 -11.046 -2.181 -1.022 256 1HH1 ARG 42 1HH1 ARG 42 -8.288 -1.383 -3.024 257 2HH1 ARG 42 2HH1 ARG 42 -9.177 -0.268 -4.026 258 1HH2 ARG 42 1HH2 ARG 42 -12.210 -0.713 -2.311 259 2HH2 ARG 42 2HH2 ARG 42 -11.393 0.154 -3.582 260 H ASP 43 H ASP 43 -9.271 -5.712 2.923 261 HA ASP 43 HA ASP 43 -7.378 -7.746 3.845 262 1HB ASP 43 2HB ASP 43 -9.065 -8.581 5.223 263 2HB ASP 43 1HB ASP 43 -9.428 -6.862 5.204 264 H THR 44 H THR 44 -8.933 -10.003 3.656 265 HA THR 44 HA THR 44 -8.356 -10.904 1.063 266 HB THR 44 HB THR 44 -9.859 -12.877 1.760 267 HG1 THR 44 HG1 THR 44 -10.631 -11.179 3.590 268 1HG2 THR 44 1HG2 THR 44 -7.548 -12.124 3.551 269 2HG2 THR 44 2HG2 THR 44 -7.403 -12.879 1.964 270 3HG2 THR 44 3HG2 THR 44 -8.179 -13.748 3.287 271 H GLU 45 H GLU 45 -11.188 -9.402 2.411 272 HA GLU 45 HA GLU 45 -12.836 -10.178 0.138 273 1HB GLU 45 2HB GLU 45 -13.807 -10.199 2.398 274 2HB GLU 45 1HB GLU 45 -13.473 -8.482 2.559 275 1HG GLU 45 2HG GLU 45 -15.039 -7.933 0.854 276 2HG GLU 45 1HG GLU 45 -15.257 -9.630 0.432 277 H GLY 46 H GLY 46 -10.976 -7.511 1.329 278 1HA GLY 46 2HA GLY 46 -10.238 -5.838 -0.252 279 2HA GLY 46 1HA GLY 46 -11.802 -5.964 -1.041 280 H ARG 47 H ARG 47 -11.858 -5.937 2.402 281 HA ARG 47 HA ARG 47 -13.146 -3.366 2.436 282 1HB ARG 47 2HB ARG 47 -12.265 -5.177 4.687 283 2HB ARG 47 1HB ARG 47 -13.269 -3.754 4.865 284 1HG ARG 47 2HG ARG 47 -14.992 -4.811 3.470 285 2HG ARG 47 1HG ARG 47 -13.986 -6.258 3.361 286 1HD ARG 47 2HD ARG 47 -14.048 -6.437 5.828 287 2HD ARG 47 1HD ARG 47 -15.134 -5.050 5.875 288 HE ARG 47 HE ARG 47 -15.987 -7.335 4.272 289 1HH1 ARG 47 1HH1 ARG 47 -16.256 -5.485 7.237 290 2HH1 ARG 47 2HH1 ARG 47 -17.706 -6.291 7.764 291 1HH2 ARG 47 1HH2 ARG 47 -17.891 -8.399 4.959 292 2HH2 ARG 47 2HH2 ARG 47 -18.639 -7.944 6.460 293 H MET 48 H MET 48 -12.344 -1.468 3.305 294 HA MET 48 HA MET 48 -9.558 -1.008 3.100 295 1HB MET 48 2HB MET 48 -11.456 0.765 4.618 296 2HB MET 48 1HB MET 48 -9.996 1.226 3.766 297 1HG MET 48 2HG MET 48 -12.535 0.259 2.477 298 2HG MET 48 1HG MET 48 -12.018 1.939 2.598 299 1HE MET 48 1HE MET 48 -11.539 1.304 -1.195 300 2HE MET 48 2HE MET 48 -12.253 2.334 0.044 301 3HE MET 48 3HE MET 48 -12.834 0.683 -0.172 302 H VAL 49 H VAL 49 -8.088 -1.755 4.518 303 HA VAL 49 HA VAL 49 -8.846 -1.910 7.352 304 HB VAL 49 HB VAL 49 -6.432 -3.130 5.999 305 1HG1 VAL 49 1HG1 VAL 49 -7.600 -3.553 8.748 306 2HG1 VAL 49 2HG1 VAL 49 -6.098 -2.711 8.371 307 3HG1 VAL 49 3HG1 VAL 49 -6.239 -4.441 8.062 308 1HG2 VAL 49 1HG2 VAL 49 -9.043 -4.416 6.802 309 2HG2 VAL 49 2HG2 VAL 49 -7.623 -5.265 6.193 310 3HG2 VAL 49 3HG2 VAL 49 -8.486 -4.133 5.152 311 H TRP 50 H TRP 50 -6.579 -0.445 5.121 312 HA TRP 50 HA TRP 50 -5.826 1.616 6.913 313 1HB TRP 50 2HB TRP 50 -4.568 -0.122 8.043 314 2HB TRP 50 1HB TRP 50 -3.853 -0.646 6.524 315 HD1 TRP 50 HD1 TRP 50 -1.667 0.536 5.756 316 HE1 TRP 50 HE1 TRP 50 -0.183 2.389 6.747 317 HE3 TRP 50 HE3 TRP 50 -4.762 2.136 9.496 318 HZ2 TRP 50 HZ2 TRP 50 -0.307 4.279 8.839 319 HZ3 TRP 50 HZ3 TRP 50 -4.003 3.971 10.947 320 HH2 TRP 50 HH2 TRP 50 -1.822 5.019 10.624 321 H ARG 51 H ARG 51 -5.342 3.292 5.629 322 HA ARG 51 HA ARG 51 -3.941 2.708 3.103 323 1HB ARG 51 2HB ARG 51 -5.035 4.698 2.125 324 2HB ARG 51 1HB ARG 51 -6.187 3.455 2.584 325 1HG ARG 51 2HG ARG 51 -6.800 4.700 4.561 326 2HG ARG 51 1HG ARG 51 -5.565 5.910 4.211 327 1HD ARG 51 2HD ARG 51 -7.693 6.764 3.509 328 2HD ARG 51 1HD ARG 51 -6.732 6.408 2.077 329 HE ARG 51 HE ARG 51 -8.759 4.507 3.052 330 1HH1 ARG 51 1HH1 ARG 51 -7.479 6.565 0.516 331 2HH1 ARG 51 2HH1 ARG 51 -8.582 5.990 -0.683 332 1HH2 ARG 51 1HH2 ARG 51 -10.218 3.761 1.472 333 2HH2 ARG 51 2HH2 ARG 51 -10.150 4.393 -0.146 334 H ALA 52 H ALA 52 -2.004 3.607 2.884 335 HA ALA 52 HA ALA 52 -1.334 5.904 4.607 336 1HB ALA 52 1HB ALA 52 0.897 4.984 4.954 337 2HB ALA 52 2HB ALA 52 0.474 3.565 3.994 338 3HB ALA 52 3HB ALA 52 -0.337 3.865 5.532 339 H TRP 53 H TRP 53 0.007 7.461 3.731 340 HA TRP 53 HA TRP 53 -0.136 7.710 0.899 341 1HB TRP 53 2HB TRP 53 1.160 9.378 3.036 342 2HB TRP 53 1HB TRP 53 1.251 9.794 1.348 343 HD1 TRP 53 HD1 TRP 53 -0.832 10.083 4.285 344 HE1 TRP 53 HE1 TRP 53 -3.019 11.321 3.739 345 HE3 TRP 53 HE3 TRP 53 -0.510 10.007 -0.779 346 HZ2 TRP 53 HZ2 TRP 53 -4.428 12.153 1.430 347 HZ3 TRP 53 HZ3 TRP 53 -2.303 11.049 -2.102 348 HH2 TRP 53 HH2 TRP 53 -4.225 12.102 -1.020 349 H ASN 54 H ASN 54 2.004 8.882 0.077 350 HA ASN 54 HA ASN 54 3.945 6.683 -0.073 351 1HB ASN 54 2HB ASN 54 3.022 7.194 -2.220 352 2HB ASN 54 1HB ASN 54 3.260 8.922 -1.987 353 1HD2 ASN 54 1HD2 ASN 54 4.843 5.876 -2.592 354 2HD2 ASN 54 2HD2 ASN 54 6.321 6.541 -3.194 355 H PHE 55 H PHE 55 3.689 10.166 0.315 356 HA PHE 55 HA PHE 55 6.546 10.517 0.467 357 1HB PHE 55 2HB PHE 55 5.807 12.944 0.937 358 2HB PHE 55 1HB PHE 55 5.474 12.269 -0.655 359 HD1 PHE 55 HD1 PHE 55 3.261 11.980 -1.432 360 HD2 PHE 55 HD2 PHE 55 3.972 13.148 2.600 361 HE1 PHE 55 HE1 PHE 55 0.873 12.495 -1.165 362 HE2 PHE 55 HE2 PHE 55 1.583 13.669 2.870 363 HZ PHE 55 HZ PHE 55 0.032 13.341 0.988 364 H GLU 56 H GLU 56 4.655 9.184 2.606 365 HA GLU 56 HA GLU 56 5.180 10.744 4.955 366 1HB GLU 56 2HB GLU 56 4.214 7.896 4.639 367 2HB GLU 56 1HB GLU 56 4.329 8.743 6.175 368 1HG GLU 56 2HG GLU 56 2.603 9.544 3.845 369 2HG GLU 56 1HG GLU 56 2.054 8.752 5.321 370 HA PRO 57 HA PRO 57 9.412 9.893 5.571 371 1HB PRO 57 2HB PRO 57 9.224 9.664 8.387 372 2HB PRO 57 1HB PRO 57 9.628 11.109 7.457 373 1HG PRO 57 2HG PRO 57 7.030 10.264 8.623 374 2HG PRO 57 1HG PRO 57 7.674 11.896 8.377 375 1HD PRO 57 2HD PRO 57 5.737 10.917 6.816 376 2HD PRO 57 1HD PRO 57 7.022 11.946 6.144 377 H ASP 58 H ASP 58 7.121 7.877 7.389 378 HA ASP 58 HA ASP 58 8.696 5.562 6.558 379 1HB ASP 58 2HB ASP 58 7.842 6.140 9.392 380 2HB ASP 58 1HB ASP 58 8.207 4.513 8.837 381 H ALA 59 H ALA 59 6.704 5.984 5.054 382 HA ALA 59 HA ALA 59 4.127 5.249 5.917 383 1HB ALA 59 1HB ALA 59 3.649 4.835 3.557 384 2HB ALA 59 2HB ALA 59 5.375 4.884 3.194 385 3HB ALA 59 3HB ALA 59 4.555 6.334 3.771 386 H GLY 60 H GLY 60 6.869 3.359 4.800 387 1HA GLY 60 2HA GLY 60 5.589 0.879 4.522 388 2HA GLY 60 1HA GLY 60 7.305 1.120 4.806 389 H GLU 61 H GLU 61 6.569 2.584 7.364 390 HA GLU 61 HA GLU 61 7.032 0.469 9.127 391 1HB GLU 61 2HB GLU 61 7.113 3.164 9.292 392 2HB GLU 61 1HB GLU 61 5.618 2.864 10.159 393 1HG GLU 61 2HG GLU 61 8.249 1.574 10.833 394 2HG GLU 61 1HG GLU 61 7.632 3.035 11.598 395 H GLY 62 H GLY 62 4.014 2.261 8.474 396 1HA GLY 62 2HA GLY 62 2.417 0.582 10.156 397 2HA GLY 62 1HA GLY 62 1.818 1.759 8.995 398 H LEU 63 H LEU 63 3.075 0.725 6.697 399 HA LEU 63 HA LEU 63 1.187 -1.194 5.874 400 1HB LEU 63 2HB LEU 63 3.868 -0.520 4.654 401 2HB LEU 63 1HB LEU 63 2.575 -1.388 3.851 402 HG LEU 63 HG LEU 63 2.373 1.466 4.818 403 1HD1 LEU 63 1HD1 LEU 63 2.500 2.073 2.459 404 2HD1 LEU 63 2HD1 LEU 63 2.783 0.385 2.037 405 3HD1 LEU 63 3HD1 LEU 63 3.971 1.263 2.999 406 1HD2 LEU 63 1HD2 LEU 63 0.533 -0.228 3.135 407 2HD2 LEU 63 2HD2 LEU 63 0.345 1.504 3.420 408 3HD2 LEU 63 3HD2 LEU 63 0.220 0.369 4.765 409 H ASN 64 H ASN 64 4.607 -1.548 6.804 410 HA ASN 64 HA ASN 64 4.739 -4.330 6.316 411 1HB ASN 64 2HB ASN 64 6.407 -2.512 8.050 412 2HB ASN 64 1HB ASN 64 6.748 -4.230 7.881 413 1HD2 ASN 64 1HD2 ASN 64 8.406 -1.984 7.151 414 2HD2 ASN 64 2HD2 ASN 64 8.703 -2.113 5.451 415 H ARG 65 H ARG 65 3.676 -2.456 9.072 416 HA ARG 65 HA ARG 65 3.588 -4.588 10.927 417 1HB ARG 65 2HB ARG 65 3.435 -2.290 11.678 418 2HB ARG 65 1HB ARG 65 1.942 -2.061 10.781 419 1HG ARG 65 2HG ARG 65 0.692 -3.291 12.286 420 2HG ARG 65 1HG ARG 65 2.100 -4.162 12.902 421 1HD ARG 65 2HD ARG 65 1.541 -1.227 13.319 422 2HD ARG 65 1HD ARG 65 1.246 -2.498 14.509 423 HE ARG 65 HE ARG 65 3.588 -2.805 14.717 424 1HH1 ARG 65 1HH1 ARG 65 2.658 -0.016 12.827 425 2HH1 ARG 65 2HH1 ARG 65 4.277 0.630 12.742 426 1HH2 ARG 65 1HH2 ARG 65 5.709 -1.969 14.623 427 2HH2 ARG 65 2HH2 ARG 65 6.015 -0.496 13.740 428 H TYR 66 H TYR 66 1.270 -3.478 8.481 429 HA TYR 66 HA TYR 66 -0.680 -5.432 9.233 430 1HB TYR 66 2HB TYR 66 -1.333 -3.490 7.881 431 2HB TYR 66 1HB TYR 66 -0.286 -4.039 6.574 432 HD1 TYR 66 HD1 TYR 66 -3.492 -4.477 8.232 433 HD2 TYR 66 HD2 TYR 66 -0.873 -6.074 5.283 434 HE1 TYR 66 HE1 TYR 66 -5.340 -5.826 7.329 435 HE2 TYR 66 HE2 TYR 66 -2.717 -7.430 4.371 436 HH TYR 66 HH TYR 66 -5.914 -6.896 5.071 437 H ILE 67 H ILE 67 1.878 -5.285 6.794 438 HA ILE 67 HA ILE 67 1.401 -7.698 5.510 439 HB ILE 67 HB ILE 67 4.088 -6.406 6.007 440 1HG1 ILE 67 2HG1 ILE 67 2.241 -6.175 3.617 441 2HG1 ILE 67 1HG1 ILE 67 2.390 -4.956 4.879 442 1HG2 ILE 67 1HG2 ILE 67 4.347 -8.713 5.315 443 2HG2 ILE 67 2HG2 ILE 67 4.798 -7.640 3.991 444 3HG2 ILE 67 3HG2 ILE 67 3.238 -8.462 3.967 445 1HD1 ILE 67 1HD1 ILE 67 3.680 -4.365 2.904 446 2HD1 ILE 67 2HD1 ILE 67 4.604 -5.861 3.052 447 3HD1 ILE 67 3HD1 ILE 67 4.726 -4.619 4.300 448 H ARG 68 H ARG 68 3.740 -7.129 8.171 449 HA ARG 68 HA ARG 68 4.634 -8.524 9.740 450 1HB ARG 68 2HB ARG 68 1.884 -9.593 9.359 451 2HB ARG 68 1HB ARG 68 3.003 -10.440 10.415 452 1HG ARG 68 2HG ARG 68 2.177 -7.567 10.685 453 2HG ARG 68 1HG ARG 68 1.542 -8.912 11.631 454 1HD ARG 68 2HD ARG 68 4.393 -7.936 11.585 455 2HD ARG 68 1HD ARG 68 3.236 -7.723 12.897 456 HE ARG 68 HE ARG 68 4.530 -10.245 12.107 457 1HH1 ARG 68 1HH1 ARG 68 2.506 -8.444 14.334 458 2HH1 ARG 68 2HH1 ARG 68 2.601 -9.642 15.592 459 1HH2 ARG 68 1HH2 ARG 68 4.651 -11.815 13.723 460 2HH2 ARG 68 2HH2 ARG 68 3.821 -11.589 15.237 461 H THR 69 H THR 69 4.946 -9.126 6.903 462 HA THR 69 HA THR 69 6.112 -10.481 5.572 463 HB THR 69 HB THR 69 7.725 -10.527 7.479 464 HG1 THR 69 HG1 THR 69 7.562 -12.148 5.374 465 1HG2 THR 69 1HG2 THR 69 6.499 -13.215 8.093 466 2HG2 THR 69 2HG2 THR 69 6.353 -11.771 9.101 467 3HG2 THR 69 3HG2 THR 69 7.935 -12.520 8.848 468 H SER 70 H SER 70 3.366 -11.133 6.646 469 HA SER 70 HA SER 70 3.234 -13.859 5.569 470 1HB SER 70 2HB SER 70 0.964 -13.859 6.732 471 2HB SER 70 1HB SER 70 2.381 -13.850 7.787 472 HG SER 70 HG SER 70 1.830 -11.955 8.501 473 H GLY 71 H GLY 71 1.124 -11.045 5.887 474 1HA GLY 71 2HA GLY 71 -0.131 -9.886 4.365 475 2HA GLY 71 1HA GLY 71 0.952 -10.493 3.123 476 H ILE 72 H ILE 72 -1.415 -10.245 2.197 477 HA ILE 72 HA ILE 72 -2.998 -12.639 2.682 478 HB ILE 72 HB ILE 72 -3.567 -10.289 0.865 479 1HG1 ILE 72 2HG1 ILE 72 -3.424 -9.500 3.132 480 2HG1 ILE 72 1HG1 ILE 72 -5.127 -9.607 2.705 481 1HG2 ILE 72 1HG2 ILE 72 -4.866 -12.211 0.200 482 2HG2 ILE 72 2HG2 ILE 72 -5.917 -11.054 1.018 483 3HG2 ILE 72 3HG2 ILE 72 -5.360 -12.495 1.868 484 1HD1 ILE 72 1HD1 ILE 72 -3.584 -11.584 4.377 485 2HD1 ILE 72 2HD1 ILE 72 -5.285 -11.731 3.922 486 3HD1 ILE 72 3HD1 ILE 72 -4.760 -10.401 4.956 487 H ARG 73 H ARG 73 -0.349 -12.070 1.016 488 HA ARG 73 HA ARG 73 -0.775 -12.944 -1.608 489 1HB ARG 73 2HB ARG 73 1.330 -11.974 -0.993 490 2HB ARG 73 1HB ARG 73 1.614 -13.218 0.215 491 1HG ARG 73 2HG ARG 73 2.975 -13.825 -1.556 492 2HG ARG 73 1HG ARG 73 1.570 -14.867 -1.725 493 1HD ARG 73 2HD ARG 73 0.630 -13.189 -3.336 494 2HD ARG 73 1HD ARG 73 2.192 -12.379 -3.298 495 HE ARG 73 HE ARG 73 2.710 -15.022 -3.922 496 1HH1 ARG 73 1HH1 ARG 73 0.915 -12.351 -5.292 497 2HH1 ARG 73 2HH1 ARG 73 1.052 -12.917 -6.930 498 1HH2 ARG 73 1HH2 ARG 73 2.922 -15.769 -6.084 499 2HH2 ARG 73 2HH2 ARG 73 2.221 -14.850 -7.382 500 H THR 74 H THR 74 1.082 -14.967 0.594 501 HA THR 74 HA THR 74 -0.190 -17.333 -0.532 502 HB THR 74 HB THR 74 2.083 -17.232 1.466 503 HG1 THR 74 HG1 THR 74 3.010 -16.202 -0.188 504 1HG2 THR 74 1HG2 THR 74 1.226 -19.308 -0.555 505 2HG2 THR 74 2HG2 THR 74 1.030 -19.414 1.196 506 3HG2 THR 74 3HG2 THR 74 2.644 -19.418 0.487 507 H ASP 75 H ASP 75 0.164 -15.506 2.388 508 HA ASP 75 HA ASP 75 -0.905 -15.484 4.390 509 1HB ASP 75 2HB ASP 75 -2.935 -15.409 3.128 510 2HB ASP 75 1HB ASP 75 -2.899 -17.146 2.860 Start of MODEL 2 1 H GLY 10 H GLY 10 11.600 4.982 5.377 2 1HA GLY 10 2HA GLY 10 8.961 4.141 5.847 3 2HA GLY 10 1HA GLY 10 9.562 5.785 6.026 4 HA PRO 11 HA PRO 11 7.455 6.808 2.236 5 1HB PRO 11 2HB PRO 11 9.641 8.259 1.052 6 2HB PRO 11 1HB PRO 11 8.158 8.890 1.763 7 1HG PRO 11 2HG PRO 11 10.650 9.226 2.872 8 2HG PRO 11 1HG PRO 11 9.140 9.261 3.795 9 1HD PRO 11 2HD PRO 11 11.154 7.073 3.526 10 2HD PRO 11 1HD PRO 11 10.172 7.540 4.931 11 H PHE 12 H PHE 12 7.154 5.781 0.392 12 HA PHE 12 HA PHE 12 9.354 4.063 -0.524 13 1HB PHE 12 2HB PHE 12 7.601 2.582 -1.462 14 2HB PHE 12 1HB PHE 12 7.501 2.769 0.281 15 HD1 PHE 12 HD1 PHE 12 5.957 3.822 -2.921 16 HD2 PHE 12 HD2 PHE 12 5.535 3.591 1.312 17 HE1 PHE 12 HE1 PHE 12 3.574 4.411 -3.123 18 HE2 PHE 12 HE2 PHE 12 3.147 4.186 1.098 19 HZ PHE 12 HZ PHE 12 2.182 4.599 -1.115 20 H THR 13 H THR 13 8.542 3.200 -2.877 21 HA THR 13 HA THR 13 8.385 5.606 -4.565 22 HB THR 13 HB THR 13 9.794 3.199 -5.592 23 HG1 THR 13 HG1 THR 13 10.975 4.960 -3.670 24 1HG2 THR 13 1HG2 THR 13 9.557 5.227 -6.931 25 2HG2 THR 13 2HG2 THR 13 11.254 4.908 -6.562 26 3HG2 THR 13 3HG2 THR 13 10.376 6.156 -5.675 27 H ARG 14 H ARG 14 7.386 5.205 -6.687 28 HA ARG 14 HA ARG 14 5.025 3.687 -6.482 29 1HB ARG 14 2HB ARG 14 5.369 5.649 -8.004 30 2HB ARG 14 1HB ARG 14 6.328 4.616 -9.040 31 1HG ARG 14 2HG ARG 14 4.462 3.204 -9.495 32 2HG ARG 14 1HG ARG 14 3.472 4.044 -8.302 33 1HD ARG 14 2HD ARG 14 3.450 6.033 -9.641 34 2HD ARG 14 1HD ARG 14 4.620 5.343 -10.769 35 HE ARG 14 HE ARG 14 2.897 3.716 -11.387 36 1HH1 ARG 14 1HH1 ARG 14 1.828 6.638 -9.753 37 2HH1 ARG 14 2HH1 ARG 14 0.202 6.534 -10.371 38 1HH2 ARG 14 1HH2 ARG 14 0.800 3.591 -12.186 39 2HH2 ARG 14 2HH2 ARG 14 -0.370 4.811 -11.778 40 H ARG 15 H ARG 15 7.956 3.148 -8.373 41 HA ARG 15 HA ARG 15 7.426 0.664 -9.440 42 1HB ARG 15 2HB ARG 15 10.009 1.787 -8.370 43 2HB ARG 15 1HB ARG 15 9.907 0.300 -9.290 44 1HG ARG 15 2HG ARG 15 8.946 1.551 -11.175 45 2HG ARG 15 1HG ARG 15 9.140 3.039 -10.245 46 1HD ARG 15 2HD ARG 15 10.981 2.743 -11.813 47 2HD ARG 15 1HD ARG 15 11.549 2.674 -10.146 48 HE ARG 15 HE ARG 15 11.634 0.225 -10.409 49 1HH1 ARG 15 1HH1 ARG 15 11.522 2.201 -13.291 50 2HH1 ARG 15 2HH1 ARG 15 12.332 1.026 -14.288 51 1HH2 ARG 15 1HH2 ARG 15 12.743 -1.315 -11.700 52 2HH2 ARG 15 2HH2 ARG 15 13.021 -0.973 -13.389 53 H GLN 16 H GLN 16 8.865 1.364 -6.266 54 HA GLN 16 HA GLN 16 9.123 -1.254 -5.342 55 1HB GLN 16 2HB GLN 16 8.574 1.302 -3.823 56 2HB GLN 16 1HB GLN 16 8.949 -0.228 -3.044 57 1HG GLN 16 2HG GLN 16 10.751 1.218 -4.975 58 2HG GLN 16 1HG GLN 16 10.887 1.277 -3.220 59 1HE2 GLN 16 1HE2 GLN 16 10.142 -1.578 -2.974 60 2HE2 GLN 16 2HE2 GLN 16 11.555 -2.459 -3.446 61 H ALA 17 H ALA 17 6.438 1.036 -4.989 62 HA ALA 17 HA ALA 17 4.720 -0.518 -3.449 63 1HB ALA 17 1HB ALA 17 3.969 1.455 -5.604 64 2HB ALA 17 2HB ALA 17 4.365 1.857 -3.932 65 3HB ALA 17 3HB ALA 17 2.928 0.899 -4.292 66 H GLN 18 H GLN 18 5.022 -0.349 -6.977 67 HA GLN 18 HA GLN 18 2.897 -1.995 -7.678 68 1HB GLN 18 2HB GLN 18 5.548 -1.487 -9.020 69 2HB GLN 18 1HB GLN 18 4.247 -2.392 -9.768 70 1HG GLN 18 2HG GLN 18 4.033 0.451 -8.820 71 2HG GLN 18 1HG GLN 18 4.336 -0.038 -10.488 72 1HE2 GLN 18 1HE2 GLN 18 2.007 0.076 -7.907 73 2HE2 GLN 18 2HE2 GLN 18 0.617 -0.247 -8.878 74 H ALA 19 H ALA 19 6.240 -2.824 -6.891 75 HA ALA 19 HA ALA 19 6.067 -5.577 -7.484 76 1HB ALA 19 1HB ALA 19 8.200 -4.428 -7.264 77 2HB ALA 19 2HB ALA 19 8.114 -5.792 -6.148 78 3HB ALA 19 3HB ALA 19 7.889 -4.148 -5.551 79 H VAL 20 H VAL 20 4.808 -3.752 -4.846 80 HA VAL 20 HA VAL 20 4.824 -6.059 -3.035 81 HB VAL 20 HB VAL 20 3.586 -3.374 -2.429 82 1HG1 VAL 20 1HG1 VAL 20 3.067 -5.226 -0.929 83 2HG1 VAL 20 2HG1 VAL 20 4.057 -4.014 -0.114 84 3HG1 VAL 20 3HG1 VAL 20 4.789 -5.518 -0.676 85 1HG2 VAL 20 1HG2 VAL 20 5.701 -2.699 -1.372 86 2HG2 VAL 20 2HG2 VAL 20 5.875 -2.910 -3.115 87 3HG2 VAL 20 3HG2 VAL 20 6.476 -4.148 -2.013 88 H THR 21 H THR 21 3.001 -4.317 -5.263 89 HA THR 21 HA THR 21 0.418 -5.219 -4.359 90 HB THR 21 HB THR 21 0.979 -4.014 -7.055 91 HG1 THR 21 HG1 THR 21 1.802 -2.865 -4.910 92 1HG2 THR 21 1HG2 THR 21 -1.250 -3.148 -6.762 93 2HG2 THR 21 2HG2 THR 21 -1.294 -3.772 -5.114 94 3HG2 THR 21 3HG2 THR 21 -1.252 -4.891 -6.476 95 H THR 22 H THR 22 2.819 -6.067 -6.793 96 HA THR 22 HA THR 22 1.256 -8.088 -8.036 97 HB THR 22 HB THR 22 3.540 -8.989 -8.760 98 HG1 THR 22 HG1 THR 22 5.216 -7.285 -8.464 99 1HG2 THR 22 1HG2 THR 22 2.838 -6.118 -9.387 100 2HG2 THR 22 2HG2 THR 22 2.210 -7.548 -10.204 101 3HG2 THR 22 3HG2 THR 22 3.920 -7.136 -10.340 102 H THR 23 H THR 23 3.377 -7.946 -5.244 103 HA THR 23 HA THR 23 3.197 -10.768 -4.739 104 HB THR 23 HB THR 23 4.059 -8.610 -2.814 105 HG1 THR 23 HG1 THR 23 5.468 -8.341 -4.447 106 1HG2 THR 23 1HG2 THR 23 3.671 -10.833 -1.823 107 2HG2 THR 23 2HG2 THR 23 5.385 -10.416 -1.825 108 3HG2 THR 23 3HG2 THR 23 4.753 -11.548 -3.019 109 H TYR 24 H TYR 24 1.719 -7.873 -3.139 110 HA TYR 24 HA TYR 24 -0.357 -9.698 -2.149 111 1HB TYR 24 2HB TYR 24 0.419 -6.974 -1.071 112 2HB TYR 24 1HB TYR 24 -0.706 -8.098 -0.343 113 HD1 TYR 24 HD1 TYR 24 0.087 -9.859 1.092 114 HD2 TYR 24 HD2 TYR 24 2.865 -7.504 -1.121 115 HE1 TYR 24 HE1 TYR 24 1.945 -10.833 2.376 116 HE2 TYR 24 HE2 TYR 24 4.730 -8.481 0.159 117 HH TYR 24 HH TYR 24 5.148 -9.586 2.229 118 H SER 25 H SER 25 -1.824 -9.594 -3.833 119 HA SER 25 HA SER 25 -2.225 -7.111 -5.224 120 1HB SER 25 2HB SER 25 -3.541 -9.794 -5.582 121 2HB SER 25 1HB SER 25 -3.651 -8.440 -6.692 122 HG SER 25 HG SER 25 -1.079 -8.978 -6.100 123 H ASN 26 H ASN 26 -3.186 -7.836 -2.349 124 HA ASN 26 HA ASN 26 -5.933 -6.883 -2.573 125 1HB ASN 26 2HB ASN 26 -5.947 -7.001 -0.112 126 2HB ASN 26 1HB ASN 26 -5.421 -8.529 -0.812 127 1HD2 ASN 26 1HD2 ASN 26 -4.942 -7.006 1.790 128 2HD2 ASN 26 2HD2 ASN 26 -3.223 -7.132 2.001 129 H ILE 27 H ILE 27 -2.742 -5.756 -2.260 130 HA ILE 27 HA ILE 27 -3.272 -3.214 -1.072 131 HB ILE 27 HB ILE 27 -0.996 -3.752 -2.963 132 1HG1 ILE 27 2HG1 ILE 27 -1.289 -4.813 -0.172 133 2HG1 ILE 27 1HG1 ILE 27 -0.807 -5.649 -1.615 134 1HG2 ILE 27 1HG2 ILE 27 -1.255 -1.480 -2.158 135 2HG2 ILE 27 2HG2 ILE 27 0.205 -2.204 -1.489 136 3HG2 ILE 27 3HG2 ILE 27 -1.239 -2.051 -0.489 137 1HD1 ILE 27 1HD1 ILE 27 1.071 -5.341 -0.142 138 2HD1 ILE 27 2HD1 ILE 27 0.816 -3.596 -0.141 139 3HD1 ILE 27 3HD1 ILE 27 1.301 -4.417 -1.625 140 H THR 28 H THR 28 -3.437 -1.172 -2.208 141 HA THR 28 HA THR 28 -4.014 -1.373 -5.066 142 HB THR 28 HB THR 28 -6.130 0.020 -4.680 143 HG1 THR 28 HG1 THR 28 -5.670 -0.989 -2.056 144 1HG2 THR 28 1HG2 THR 28 -6.100 -2.867 -3.802 145 2HG2 THR 28 2HG2 THR 28 -6.238 -2.280 -5.459 146 3HG2 THR 28 3HG2 THR 28 -7.531 -1.964 -4.301 147 H LEU 29 H LEU 29 -3.732 0.539 -6.184 148 HA LEU 29 HA LEU 29 -2.460 2.681 -4.637 149 1HB LEU 29 2HB LEU 29 -1.367 1.473 -6.673 150 2HB LEU 29 1HB LEU 29 -2.436 2.471 -7.635 151 HG LEU 29 HG LEU 29 -0.432 3.594 -5.673 152 1HD1 LEU 29 1HD1 LEU 29 0.717 2.354 -7.435 153 2HD1 LEU 29 2HD1 LEU 29 0.962 4.091 -7.610 154 3HD1 LEU 29 3HD1 LEU 29 -0.179 3.254 -8.659 155 1HD2 LEU 29 1HD2 LEU 29 -2.301 5.085 -6.204 156 2HD2 LEU 29 2HD2 LEU 29 -1.969 4.888 -7.926 157 3HD2 LEU 29 3HD2 LEU 29 -0.785 5.680 -6.884 158 H GLU 30 H GLU 30 -3.878 4.185 -4.039 159 HA GLU 30 HA GLU 30 -5.916 5.016 -5.996 160 1HB GLU 30 2HB GLU 30 -6.010 5.107 -2.984 161 2HB GLU 30 1HB GLU 30 -7.162 5.930 -4.024 162 1HG GLU 30 2HG GLU 30 -7.649 3.659 -5.041 163 2HG GLU 30 1HG GLU 30 -6.743 2.982 -3.687 164 H ASP 31 H ASP 31 -6.561 7.259 -5.859 165 HA ASP 31 HA ASP 31 -6.093 9.429 -6.119 166 1HB ASP 31 2HB ASP 31 -4.816 8.831 -3.508 167 2HB ASP 31 1HB ASP 31 -4.487 10.393 -4.253 168 H ASP 32 H ASP 32 -4.956 8.602 -8.074 169 HA ASP 32 HA ASP 32 -2.097 8.896 -8.112 170 1HB ASP 32 2HB ASP 32 -4.209 8.462 -10.183 171 2HB ASP 32 1HB ASP 32 -2.649 9.082 -10.700 172 H GLN 33 H GLN 33 -2.112 10.997 -7.006 173 HA GLN 33 HA GLN 33 -2.834 13.253 -8.754 174 1HB GLN 33 2HB GLN 33 -2.064 13.270 -5.825 175 2HB GLN 33 1HB GLN 33 -2.645 14.646 -6.751 176 1HG GLN 33 2HG GLN 33 -4.263 12.157 -6.284 177 2HG GLN 33 1HG GLN 33 -4.315 13.563 -5.227 178 1HE2 GLN 33 1HE2 GLN 33 -6.475 13.935 -5.635 179 2HE2 GLN 33 2HE2 GLN 33 -7.048 14.568 -7.139 180 H GLY 34 H GLY 34 -0.422 11.417 -8.869 181 1HA GLY 34 2HA GLY 34 1.687 11.814 -9.769 182 2HA GLY 34 1HA GLY 34 1.493 13.522 -9.403 183 H SER 35 H SER 35 2.184 14.326 -7.452 184 HA SER 35 HA SER 35 4.191 12.814 -6.081 185 1HB SER 35 2HB SER 35 4.347 15.275 -6.446 186 2HB SER 35 1HB SER 35 2.988 15.497 -5.349 187 HG SER 35 HG SER 35 5.396 15.564 -4.618 188 H HIS 36 H HIS 36 0.849 13.598 -5.570 189 HA HIS 36 HA HIS 36 0.902 12.321 -2.927 190 1HB HIS 36 2HB HIS 36 -1.313 13.885 -4.277 191 2HB HIS 36 1HB HIS 36 -1.413 13.163 -2.677 192 HD1 HIS 36 HD1 HIS 36 -1.003 14.763 -0.839 193 HD2 HIS 36 HD2 HIS 36 0.938 15.889 -4.348 194 HE1 HIS 36 HE1 HIS 36 0.098 16.971 -0.335 195 HE2 HIS 36 HE2 HIS 36 1.117 17.708 -2.522 196 H PHE 37 H PHE 37 0.761 10.168 -3.185 197 HA PHE 37 HA PHE 37 -1.720 9.185 -4.290 198 1HB PHE 37 2HB PHE 37 -0.734 7.429 -5.638 199 2HB PHE 37 1HB PHE 37 -0.161 8.989 -6.200 200 HD1 PHE 37 HD1 PHE 37 2.174 9.685 -5.718 201 HD2 PHE 37 HD2 PHE 37 0.738 5.777 -4.839 202 HE1 PHE 37 HE1 PHE 37 4.489 8.867 -5.598 203 HE2 PHE 37 HE2 PHE 37 3.053 4.953 -4.705 204 HZ PHE 37 HZ PHE 37 4.930 6.499 -5.090 205 H ARG 38 H ARG 38 -2.372 7.187 -3.406 206 HA ARG 38 HA ARG 38 -0.763 6.444 -1.031 207 1HB ARG 38 2HB ARG 38 -2.878 6.250 0.250 208 2HB ARG 38 1HB ARG 38 -2.526 7.893 -0.266 209 1HG ARG 38 2HG ARG 38 -4.096 7.629 -2.130 210 2HG ARG 38 1HG ARG 38 -4.466 6.001 -1.564 211 1HD ARG 38 2HD ARG 38 -5.327 6.899 0.520 212 2HD ARG 38 1HD ARG 38 -4.883 8.530 0.022 213 HE ARG 38 HE ARG 38 -6.597 8.469 -1.633 214 1HH1 ARG 38 1HH1 ARG 38 -6.601 5.713 0.523 215 2HH1 ARG 38 2HH1 ARG 38 -8.228 5.247 0.142 216 1HH2 ARG 38 1HH2 ARG 38 -8.729 7.874 -2.133 217 2HH2 ARG 38 2HH2 ARG 38 -9.444 6.485 -1.369 218 H LEU 39 H LEU 39 -0.987 4.368 -0.229 219 HA LEU 39 HA LEU 39 -2.201 2.453 -2.104 220 1HB LEU 39 2HB LEU 39 -0.056 1.976 -0.044 221 2HB LEU 39 1HB LEU 39 -0.704 0.780 -1.118 222 HG LEU 39 HG LEU 39 0.822 3.204 -2.007 223 1HD1 LEU 39 1HD1 LEU 39 2.225 1.623 -0.781 224 2HD1 LEU 39 2HD1 LEU 39 2.625 1.632 -2.499 225 3HD1 LEU 39 3HD1 LEU 39 1.667 0.314 -1.823 226 1HD2 LEU 39 1HD2 LEU 39 -0.788 2.430 -3.660 227 2HD2 LEU 39 2HD2 LEU 39 -0.143 0.794 -3.533 228 3HD2 LEU 39 3HD2 LEU 39 0.862 2.091 -4.180 229 H VAL 40 H VAL 40 -3.781 1.184 -1.437 230 HA VAL 40 HA VAL 40 -4.564 1.357 1.401 231 HB VAL 40 HB VAL 40 -6.371 0.836 -0.962 232 1HG1 VAL 40 1HG1 VAL 40 -8.186 1.221 0.641 233 2HG1 VAL 40 2HG1 VAL 40 -7.000 1.392 1.936 234 3HG1 VAL 40 3HG1 VAL 40 -7.186 -0.154 1.106 235 1HG2 VAL 40 1HG2 VAL 40 -7.200 3.111 -0.616 236 2HG2 VAL 40 2HG2 VAL 40 -5.487 3.105 -1.034 237 3HG2 VAL 40 3HG2 VAL 40 -5.987 3.364 0.637 238 H VAL 41 H VAL 41 -4.269 -0.442 2.481 239 HA VAL 41 HA VAL 41 -4.108 -3.013 1.115 240 HB VAL 41 HB VAL 41 -3.716 -2.285 4.027 241 1HG1 VAL 41 1HG1 VAL 41 -3.274 -4.912 2.615 242 2HG1 VAL 41 2HG1 VAL 41 -4.507 -4.566 3.828 243 3HG1 VAL 41 3HG1 VAL 41 -2.802 -4.550 4.276 244 1HG2 VAL 41 1HG2 VAL 41 -1.725 -2.961 1.863 245 2HG2 VAL 41 2HG2 VAL 41 -1.336 -2.741 3.568 246 3HG2 VAL 41 3HG2 VAL 41 -1.959 -1.386 2.625 247 H ARG 42 H ARG 42 -5.944 -4.063 0.757 248 HA ARG 42 HA ARG 42 -8.164 -3.775 2.661 249 1HB ARG 42 2HB ARG 42 -8.192 -4.909 -0.144 250 2HB ARG 42 1HB ARG 42 -9.591 -4.652 0.886 251 1HG ARG 42 2HG ARG 42 -9.459 -2.331 0.706 252 2HG ARG 42 1HG ARG 42 -7.805 -2.382 0.094 253 1HD ARG 42 2HD ARG 42 -9.390 -1.848 -1.680 254 2HD ARG 42 1HD ARG 42 -8.592 -3.389 -1.981 255 HE ARG 42 HE ARG 42 -11.269 -3.341 -0.758 256 1HH1 ARG 42 1HH1 ARG 42 -9.145 -4.171 -3.414 257 2HH1 ARG 42 2HH1 ARG 42 -10.322 -5.141 -4.245 258 1HH2 ARG 42 1HH2 ARG 42 -12.847 -4.619 -1.852 259 2HH2 ARG 42 2HH2 ARG 42 -12.410 -5.435 -3.325 260 H ASP 43 H ASP 43 -9.442 -5.795 3.044 261 HA ASP 43 HA ASP 43 -7.575 -8.030 3.455 262 1HB ASP 43 2HB ASP 43 -8.845 -8.689 5.311 263 2HB ASP 43 1HB ASP 43 -8.896 -6.936 5.394 264 H THR 44 H THR 44 -9.396 -10.085 3.832 265 HA THR 44 HA THR 44 -9.912 -10.898 1.162 266 HB THR 44 HB THR 44 -11.143 -12.818 2.259 267 HG1 THR 44 HG1 THR 44 -11.077 -11.136 4.339 268 1HG2 THR 44 1HG2 THR 44 -9.112 -13.825 3.161 269 2HG2 THR 44 2HG2 THR 44 -8.359 -12.236 3.282 270 3HG2 THR 44 3HG2 THR 44 -8.743 -12.910 1.698 271 H GLU 45 H GLU 45 -11.828 -9.179 3.491 272 HA GLU 45 HA GLU 45 -14.323 -9.693 2.088 273 1HB GLU 45 2HB GLU 45 -14.165 -9.406 4.591 274 2HB GLU 45 1HB GLU 45 -13.776 -7.716 4.309 275 1HG GLU 45 2HG GLU 45 -16.099 -7.933 4.863 276 2HG GLU 45 1HG GLU 45 -15.935 -7.421 3.184 277 H GLY 46 H GLY 46 -11.726 -7.460 2.079 278 1HA GLY 46 2HA GLY 46 -11.365 -6.016 0.216 279 2HA GLY 46 1HA GLY 46 -13.106 -5.893 0.015 280 H ARG 47 H ARG 47 -12.362 -5.707 3.257 281 HA ARG 47 HA ARG 47 -13.137 -2.964 3.397 282 1HB ARG 47 2HB ARG 47 -12.003 -4.776 5.534 283 2HB ARG 47 1HB ARG 47 -12.794 -3.240 5.804 284 1HG ARG 47 2HG ARG 47 -14.881 -4.151 4.950 285 2HG ARG 47 1HG ARG 47 -14.082 -5.700 4.658 286 1HD ARG 47 2HD ARG 47 -13.529 -5.782 7.090 287 2HD ARG 47 1HD ARG 47 -14.513 -4.339 7.317 288 HE ARG 47 HE ARG 47 -16.266 -5.965 6.141 289 1HH1 ARG 47 1HH1 ARG 47 -14.058 -6.497 8.806 290 2HH1 ARG 47 2HH1 ARG 47 -15.016 -7.751 9.526 291 1HH2 ARG 47 1HH2 ARG 47 -17.555 -7.586 7.098 292 2HH2 ARG 47 2HH2 ARG 47 -17.022 -8.364 8.562 293 H MET 48 H MET 48 -11.886 -1.191 3.991 294 HA MET 48 HA MET 48 -9.106 -1.316 3.331 295 1HB MET 48 2HB MET 48 -10.593 0.944 4.680 296 2HB MET 48 1HB MET 48 -9.017 1.046 3.916 297 1HG MET 48 2HG MET 48 -10.497 1.998 2.390 298 2HG MET 48 1HG MET 48 -10.168 0.386 1.762 299 1HE MET 48 1HE MET 48 -12.609 2.197 0.767 300 2HE MET 48 2HE MET 48 -13.885 0.981 0.686 301 3HE MET 48 3HE MET 48 -12.252 0.585 0.146 302 H VAL 49 H VAL 49 -7.866 -2.458 4.665 303 HA VAL 49 HA VAL 49 -8.242 -2.486 7.516 304 HB VAL 49 HB VAL 49 -5.955 -3.565 5.851 305 1HG1 VAL 49 1HG1 VAL 49 -6.746 -4.149 8.703 306 2HG1 VAL 49 2HG1 VAL 49 -5.318 -3.257 8.176 307 3HG1 VAL 49 3HG1 VAL 49 -5.474 -4.974 7.800 308 1HG2 VAL 49 1HG2 VAL 49 -8.404 -4.959 6.923 309 2HG2 VAL 49 2HG2 VAL 49 -7.062 -5.733 6.081 310 3HG2 VAL 49 3HG2 VAL 49 -8.085 -4.573 5.233 311 H TRP 50 H TRP 50 -6.003 -1.049 5.218 312 HA TRP 50 HA TRP 50 -5.378 1.098 6.997 313 1HB TRP 50 2HB TRP 50 -3.882 -0.574 7.972 314 2HB TRP 50 1HB TRP 50 -3.205 -0.923 6.385 315 HD1 TRP 50 HD1 TRP 50 -1.123 0.445 5.698 316 HE1 TRP 50 HE1 TRP 50 0.107 2.498 6.646 317 HE3 TRP 50 HE3 TRP 50 -4.433 1.767 9.364 318 HZ2 TRP 50 HZ2 TRP 50 -0.266 4.415 8.677 319 HZ3 TRP 50 HZ3 TRP 50 -3.919 3.727 10.762 320 HH2 TRP 50 HH2 TRP 50 -1.879 5.020 10.421 321 H ARG 51 H ARG 51 -4.566 2.833 5.879 322 HA ARG 51 HA ARG 51 -3.564 2.413 3.172 323 1HB ARG 51 2HB ARG 51 -5.004 4.252 2.313 324 2HB ARG 51 1HB ARG 51 -5.913 2.827 2.800 325 1HG ARG 51 2HG ARG 51 -6.344 3.984 4.988 326 2HG ARG 51 1HG ARG 51 -5.655 5.439 4.265 327 1HD ARG 51 2HD ARG 51 -7.348 5.360 2.499 328 2HD ARG 51 1HD ARG 51 -8.031 3.902 3.223 329 HE ARG 51 HE ARG 51 -8.002 6.553 4.536 330 1HH1 ARG 51 1HH1 ARG 51 -9.534 3.476 3.860 331 2HH1 ARG 51 2HH1 ARG 51 -10.907 3.785 4.878 332 1HH2 ARG 51 1HH2 ARG 51 -9.773 6.953 5.891 333 2HH2 ARG 51 2HH2 ARG 51 -11.035 5.771 6.045 334 H ALA 52 H ALA 52 -2.028 3.877 2.572 335 HA ALA 52 HA ALA 52 -1.507 6.167 4.311 336 1HB ALA 52 1HB ALA 52 0.571 4.045 3.773 337 2HB ALA 52 2HB ALA 52 -0.237 4.324 5.315 338 3HB ALA 52 3HB ALA 52 0.829 5.557 4.642 339 H TRP 53 H TRP 53 0.023 7.685 3.376 340 HA TRP 53 HA TRP 53 -0.225 7.718 0.482 341 1HB TRP 53 2HB TRP 53 0.798 9.782 2.442 342 2HB TRP 53 1HB TRP 53 0.631 10.035 0.727 343 HD1 TRP 53 HD1 TRP 53 -1.341 9.818 3.861 344 HE1 TRP 53 HE1 TRP 53 -3.720 10.671 3.413 345 HE3 TRP 53 HE3 TRP 53 -1.103 10.211 -1.205 346 HZ2 TRP 53 HZ2 TRP 53 -5.309 11.411 1.188 347 HZ3 TRP 53 HZ3 TRP 53 -3.088 10.999 -2.431 348 HH2 TRP 53 HH2 TRP 53 -5.146 11.586 -1.259 349 H ASN 54 H ASN 54 2.006 9.328 -0.027 350 HA ASN 54 HA ASN 54 4.087 7.264 0.039 351 1HB ASN 54 2HB ASN 54 3.234 7.910 -2.198 352 2HB ASN 54 1HB ASN 54 3.768 9.561 -1.904 353 1HD2 ASN 54 1HD2 ASN 54 5.487 6.690 -0.901 354 2HD2 ASN 54 2HD2 ASN 54 6.851 6.909 -1.948 355 H PHE 55 H PHE 55 3.435 10.629 0.729 356 HA PHE 55 HA PHE 55 6.220 11.316 0.993 357 1HB PHE 55 2HB PHE 55 5.382 13.549 1.618 358 2HB PHE 55 1HB PHE 55 4.673 12.974 0.115 359 HD1 PHE 55 HD1 PHE 55 2.321 12.415 -0.019 360 HD2 PHE 55 HD2 PHE 55 4.038 13.790 3.627 361 HE1 PHE 55 HE1 PHE 55 0.071 12.823 0.884 362 HE2 PHE 55 HE2 PHE 55 1.788 14.202 4.532 363 HZ PHE 55 HZ PHE 55 -0.198 13.715 3.160 364 H GLU 56 H GLU 56 4.353 9.535 2.918 365 HA GLU 56 HA GLU 56 4.862 10.819 5.437 366 1HB GLU 56 2HB GLU 56 3.807 8.056 4.836 367 2HB GLU 56 1HB GLU 56 3.827 8.823 6.421 368 1HG GLU 56 2HG GLU 56 2.411 10.647 5.456 369 2HG GLU 56 1HG GLU 56 2.262 9.665 4.000 370 HA PRO 57 HA PRO 57 9.016 9.504 5.788 371 1HB PRO 57 2HB PRO 57 8.622 9.718 8.708 372 2HB PRO 57 1HB PRO 57 9.750 10.578 7.658 373 1HG PRO 57 2HG PRO 57 7.621 11.808 8.688 374 2HG PRO 57 1HG PRO 57 8.176 12.158 7.040 375 1HD PRO 57 2HD PRO 57 5.886 10.452 7.945 376 2HD PRO 57 1HD PRO 57 5.979 11.597 6.591 377 H ASP 58 H ASP 58 6.456 7.704 7.198 378 HA ASP 58 HA ASP 58 8.221 5.384 7.279 379 1HB ASP 58 2HB ASP 58 7.469 4.632 9.433 380 2HB ASP 58 1HB ASP 58 8.077 6.270 9.605 381 H ALA 59 H ALA 59 6.292 6.231 5.372 382 HA ALA 59 HA ALA 59 3.745 5.126 5.638 383 1HB ALA 59 1HB ALA 59 3.666 5.161 3.190 384 2HB ALA 59 2HB ALA 59 5.412 5.408 3.136 385 3HB ALA 59 3HB ALA 59 4.370 6.647 3.835 386 H GLY 60 H GLY 60 6.774 3.672 4.529 387 1HA GLY 60 2HA GLY 60 5.715 1.203 3.696 388 2HA GLY 60 1HA GLY 60 7.379 1.491 4.185 389 H GLU 61 H GLU 61 6.799 2.305 6.863 390 HA GLU 61 HA GLU 61 6.816 -0.261 8.045 391 1HB GLU 61 2HB GLU 61 7.152 2.499 8.938 392 2HB GLU 61 1HB GLU 61 6.393 1.464 10.142 393 1HG GLU 61 2HG GLU 61 8.985 0.863 8.738 394 2HG GLU 61 1HG GLU 61 8.840 1.545 10.359 395 H GLY 62 H GLY 62 4.257 1.977 7.371 396 1HA GLY 62 2HA GLY 62 2.361 0.779 9.176 397 2HA GLY 62 1HA GLY 62 1.989 1.861 7.838 398 H LEU 63 H LEU 63 2.934 0.599 5.680 399 HA LEU 63 HA LEU 63 1.024 -1.404 5.137 400 1HB LEU 63 2HB LEU 63 3.612 -0.864 3.672 401 2HB LEU 63 1HB LEU 63 2.206 -1.694 3.031 402 HG LEU 63 HG LEU 63 2.220 1.205 3.876 403 1HD1 LEU 63 1HD1 LEU 63 2.424 0.005 1.122 404 2HD1 LEU 63 2HD1 LEU 63 3.699 0.869 1.983 405 3HD1 LEU 63 3HD1 LEU 63 2.233 1.720 1.493 406 1HD2 LEU 63 1HD2 LEU 63 0.209 -0.420 2.322 407 2HD2 LEU 63 2HD2 LEU 63 0.111 1.311 2.653 408 3HD2 LEU 63 3HD2 LEU 63 0.024 0.154 3.980 409 H ASN 64 H ASN 64 4.464 -1.517 5.884 410 HA ASN 64 HA ASN 64 4.755 -4.332 5.728 411 1HB ASN 64 2HB ASN 64 6.401 -2.177 7.047 412 2HB ASN 64 1HB ASN 64 6.858 -3.876 7.092 413 1HD2 ASN 64 1HD2 ASN 64 8.779 -3.213 6.011 414 2HD2 ASN 64 2HD2 ASN 64 8.755 -2.956 4.299 415 H ARG 65 H ARG 65 3.524 -2.223 8.177 416 HA ARG 65 HA ARG 65 3.769 -3.985 10.380 417 1HB ARG 65 2HB ARG 65 3.163 -1.559 10.558 418 2HB ARG 65 1HB ARG 65 1.592 -1.938 9.871 419 1HG ARG 65 2HG ARG 65 2.486 -3.356 12.339 420 2HG ARG 65 1HG ARG 65 1.893 -1.699 12.449 421 1HD ARG 65 2HD ARG 65 0.381 -3.980 11.181 422 2HD ARG 65 1HD ARG 65 0.140 -3.421 12.835 423 HE ARG 65 HE ARG 65 -0.152 -1.204 11.173 424 1HH1 ARG 65 1HH1 ARG 65 -1.762 -4.278 11.714 425 2HH1 ARG 65 2HH1 ARG 65 -3.329 -3.675 11.250 426 1HH2 ARG 65 1HH2 ARG 65 -2.214 -0.424 10.571 427 2HH2 ARG 65 2HH2 ARG 65 -3.582 -1.496 10.591 428 H TYR 66 H TYR 66 1.311 -3.512 7.880 429 HA TYR 66 HA TYR 66 -0.391 -5.614 8.768 430 1HB TYR 66 2HB TYR 66 -1.655 -4.512 7.266 431 2HB TYR 66 1HB TYR 66 -0.245 -3.804 6.489 432 HD1 TYR 66 HD1 TYR 66 -2.317 -6.903 6.596 433 HD2 TYR 66 HD2 TYR 66 0.444 -4.538 4.382 434 HE1 TYR 66 HE1 TYR 66 -2.643 -8.357 4.636 435 HE2 TYR 66 HE2 TYR 66 0.123 -5.985 2.425 436 HH TYR 66 HH TYR 66 -0.653 -8.028 1.772 437 H ILE 67 H ILE 67 2.274 -5.476 6.449 438 HA ILE 67 HA ILE 67 2.036 -8.153 5.536 439 HB ILE 67 HB ILE 67 4.513 -6.404 5.547 440 1HG1 ILE 67 2HG1 ILE 67 2.465 -6.757 3.350 441 2HG1 ILE 67 1HG1 ILE 67 2.494 -5.383 4.451 442 1HG2 ILE 67 1HG2 ILE 67 4.997 -8.751 5.115 443 2HG2 ILE 67 2HG2 ILE 67 5.208 -7.793 3.648 444 3HG2 ILE 67 3HG2 ILE 67 3.763 -8.787 3.851 445 1HD1 ILE 67 1HD1 ILE 67 4.715 -6.150 2.573 446 2HD1 ILE 67 2HD1 ILE 67 4.664 -4.733 3.621 447 3HD1 ILE 67 3HD1 ILE 67 3.522 -4.883 2.289 448 H ARG 68 H ARG 68 3.513 -6.728 8.327 449 HA ARG 68 HA ARG 68 5.427 -8.662 8.958 450 1HB ARG 68 2HB ARG 68 4.881 -6.330 10.036 451 2HB ARG 68 1HB ARG 68 3.861 -7.280 11.107 452 1HG ARG 68 2HG ARG 68 5.664 -7.591 12.362 453 2HG ARG 68 1HG ARG 68 6.267 -8.649 11.084 454 1HD ARG 68 2HD ARG 68 8.011 -7.135 11.393 455 2HD ARG 68 1HD ARG 68 7.148 -6.481 10.003 456 HE ARG 68 HE ARG 68 6.461 -5.451 12.654 457 1HH1 ARG 68 1HH1 ARG 68 8.059 -4.924 9.570 458 2HH1 ARG 68 2HH1 ARG 68 8.241 -3.212 9.816 459 1HH2 ARG 68 1HH2 ARG 68 6.711 -3.190 12.965 460 2HH2 ARG 68 2HH2 ARG 68 7.491 -2.232 11.734 461 H THR 69 H THR 69 1.965 -8.560 9.435 462 HA THR 69 HA THR 69 2.089 -11.116 10.842 463 HB THR 69 HB THR 69 0.794 -9.544 12.095 464 HG1 THR 69 HG1 THR 69 -1.354 -10.889 10.935 465 1HG2 THR 69 1HG2 THR 69 -1.203 -8.423 11.191 466 2HG2 THR 69 2HG2 THR 69 -0.823 -9.065 9.590 467 3HG2 THR 69 3HG2 THR 69 0.273 -7.921 10.366 468 H SER 70 H SER 70 2.803 -11.709 8.592 469 HA SER 70 HA SER 70 2.383 -13.425 7.146 470 1HB SER 70 2HB SER 70 -0.506 -12.988 7.888 471 2HB SER 70 1HB SER 70 0.077 -14.292 6.851 472 HG SER 70 HG SER 70 0.112 -15.260 8.754 473 H GLY 71 H GLY 71 0.055 -10.761 6.865 474 1HA GLY 71 2HA GLY 71 -0.532 -9.515 4.995 475 2HA GLY 71 1HA GLY 71 0.715 -10.364 4.085 476 H ILE 72 H ILE 72 -1.236 -10.139 2.516 477 HA ILE 72 HA ILE 72 -3.111 -12.376 2.898 478 HB ILE 72 HB ILE 72 -3.244 -10.105 0.895 479 1HG1 ILE 72 2HG1 ILE 72 -3.534 -9.356 3.213 480 2HG1 ILE 72 1HG1 ILE 72 -5.048 -9.246 2.323 481 1HG2 ILE 72 1HG2 ILE 72 -5.549 -10.838 0.506 482 2HG2 ILE 72 2HG2 ILE 72 -5.301 -12.202 1.596 483 3HG2 ILE 72 3HG2 ILE 72 -4.397 -12.106 0.085 484 1HD1 ILE 72 1HD1 ILE 72 -5.814 -11.315 3.375 485 2HD1 ILE 72 2HD1 ILE 72 -5.403 -10.087 4.573 486 3HD1 ILE 72 3HD1 ILE 72 -4.293 -11.422 4.262 487 H ARG 73 H ARG 73 -0.183 -12.107 1.803 488 HA ARG 73 HA ARG 73 0.004 -12.911 -0.852 489 1HB ARG 73 2HB ARG 73 2.218 -13.743 -0.249 490 2HB ARG 73 1HB ARG 73 1.871 -12.197 0.503 491 1HG ARG 73 2HG ARG 73 1.185 -13.473 2.562 492 2HG ARG 73 1HG ARG 73 1.872 -14.902 1.791 493 1HD ARG 73 2HD ARG 73 3.389 -12.357 2.313 494 2HD ARG 73 1HD ARG 73 3.399 -13.754 3.386 495 HE ARG 73 HE ARG 73 4.131 -14.516 0.761 496 1HH1 ARG 73 1HH1 ARG 73 5.288 -12.853 3.585 497 2HH1 ARG 73 2HH1 ARG 73 6.964 -13.192 3.290 498 1HH2 ARG 73 1HH2 ARG 73 6.336 -15.007 0.325 499 2HH2 ARG 73 2HH2 ARG 73 7.565 -14.421 1.413 500 H THR 74 H THR 74 -1.271 -14.681 1.730 501 HA THR 74 HA THR 74 -0.633 -17.319 1.050 502 HB THR 74 HB THR 74 -3.318 -16.498 2.137 503 HG1 THR 74 HG1 THR 74 -2.333 -16.241 4.167 504 1HG2 THR 74 1HG2 THR 74 -3.036 -18.529 3.494 505 2HG2 THR 74 2HG2 THR 74 -1.462 -18.807 2.746 506 3HG2 THR 74 3HG2 THR 74 -2.930 -18.887 1.771 507 H ASP 75 H ASP 75 -2.286 -14.994 -0.727 508 HA ASP 75 HA ASP 75 -3.118 -16.904 -2.696 509 1HB ASP 75 2HB ASP 75 -5.024 -16.825 -0.940 510 2HB ASP 75 1HB ASP 75 -5.350 -15.223 -1.583 Start of MODEL 3 1 H GLY 10 H GLY 10 11.451 2.438 5.208 2 1HA GLY 10 2HA GLY 10 9.687 3.717 5.940 3 2HA GLY 10 1HA GLY 10 10.707 5.083 5.531 4 HA PRO 11 HA PRO 11 7.475 6.108 2.619 5 1HB PRO 11 2HB PRO 11 9.326 8.041 1.478 6 2HB PRO 11 1HB PRO 11 7.831 8.333 2.369 7 1HG PRO 11 2HG PRO 11 10.299 8.905 3.364 8 2HG PRO 11 1HG PRO 11 8.908 8.491 4.378 9 1HD PRO 11 2HD PRO 11 11.227 6.798 3.550 10 2HD PRO 11 1HD PRO 11 10.358 6.848 5.099 11 H PHE 12 H PHE 12 7.045 5.530 0.544 12 HA PHE 12 HA PHE 12 9.264 4.166 -0.843 13 1HB PHE 12 2HB PHE 12 7.429 2.864 -1.980 14 2HB PHE 12 1HB PHE 12 7.621 2.569 -0.264 15 HD1 PHE 12 HD1 PHE 12 5.950 3.405 1.331 16 HD2 PHE 12 HD2 PHE 12 5.415 3.813 -2.872 17 HE1 PHE 12 HE1 PHE 12 3.551 3.815 1.677 18 HE2 PHE 12 HE2 PHE 12 3.013 4.231 -2.520 19 HZ PHE 12 HZ PHE 12 2.091 4.232 -0.245 20 H THR 13 H THR 13 8.412 3.745 -3.221 21 HA THR 13 HA THR 13 7.885 6.376 -4.393 22 HB THR 13 HB THR 13 9.692 4.370 -5.714 23 HG1 THR 13 HG1 THR 13 10.833 6.408 -4.172 24 1HG2 THR 13 1HG2 THR 13 9.578 7.377 -5.699 25 2HG2 THR 13 2HG2 THR 13 8.900 6.334 -6.950 26 3HG2 THR 13 3HG2 THR 13 10.645 6.381 -6.691 27 H ARG 14 H ARG 14 7.079 6.183 -6.671 28 HA ARG 14 HA ARG 14 4.764 4.713 -6.872 29 1HB ARG 14 2HB ARG 14 5.496 6.678 -8.265 30 2HB ARG 14 1HB ARG 14 6.457 5.564 -9.215 31 1HG ARG 14 2HG ARG 14 4.556 4.468 -10.056 32 2HG ARG 14 1HG ARG 14 3.496 5.221 -8.859 33 1HD ARG 14 2HD ARG 14 3.931 7.412 -9.873 34 2HD ARG 14 1HD ARG 14 4.962 6.645 -11.079 35 HE ARG 14 HE ARG 14 3.092 5.978 -12.225 36 1HH1 ARG 14 1HH1 ARG 14 2.136 7.014 -9.009 37 2HH1 ARG 14 2HH1 ARG 14 0.433 6.931 -9.361 38 1HH2 ARG 14 1HH2 ARG 14 0.848 5.954 -12.681 39 2HH2 ARG 14 2HH2 ARG 14 -0.287 6.373 -11.431 40 H ARG 15 H ARG 15 7.805 3.996 -8.563 41 HA ARG 15 HA ARG 15 7.119 1.522 -9.615 42 1HB ARG 15 2HB ARG 15 9.785 2.585 -8.682 43 2HB ARG 15 1HB ARG 15 9.597 1.091 -9.577 44 1HG ARG 15 2HG ARG 15 8.666 2.317 -11.464 45 2HG ARG 15 1HG ARG 15 8.821 3.827 -10.558 46 1HD ARG 15 2HD ARG 15 10.676 3.439 -12.171 47 2HD ARG 15 1HD ARG 15 11.213 3.612 -10.500 48 HE ARG 15 HE ARG 15 10.885 0.981 -11.792 49 1HH1 ARG 15 1HH1 ARG 15 12.752 3.267 -9.894 50 2HH1 ARG 15 2HH1 ARG 15 13.989 2.113 -9.481 51 1HH2 ARG 15 1HH2 ARG 15 12.483 -0.545 -11.228 52 2HH2 ARG 15 2HH2 ARG 15 13.828 -0.061 -10.227 53 H GLN 16 H GLN 16 8.597 2.275 -6.487 54 HA GLN 16 HA GLN 16 9.016 -0.341 -5.599 55 1HB GLN 16 2HB GLN 16 8.720 2.306 -4.254 56 2HB GLN 16 1HB GLN 16 8.677 0.860 -3.260 57 1HG GLN 16 2HG GLN 16 10.902 1.930 -3.418 58 2HG GLN 16 1HG GLN 16 10.876 0.244 -3.931 59 1HE2 GLN 16 1HE2 GLN 16 11.280 -0.267 -6.053 60 2HE2 GLN 16 2HE2 GLN 16 11.901 0.889 -7.180 61 H ALA 17 H ALA 17 6.240 1.819 -5.124 62 HA ALA 17 HA ALA 17 4.683 0.154 -3.502 63 1HB ALA 17 1HB ALA 17 3.776 2.151 -5.573 64 2HB ALA 17 2HB ALA 17 4.157 2.498 -3.885 65 3HB ALA 17 3HB ALA 17 2.773 1.478 -4.287 66 H GLN 18 H GLN 18 4.857 0.385 -7.030 67 HA GLN 18 HA GLN 18 2.805 -1.340 -7.718 68 1HB GLN 18 2HB GLN 18 5.443 -0.786 -9.069 69 2HB GLN 18 1HB GLN 18 4.158 -1.724 -9.799 70 1HG GLN 18 2HG GLN 18 2.667 0.218 -9.647 71 2HG GLN 18 1HG GLN 18 3.990 1.153 -8.954 72 1HE2 GLN 18 1HE2 GLN 18 2.694 -0.292 -11.828 73 2HE2 GLN 18 2HE2 GLN 18 3.781 0.469 -12.939 74 H ALA 19 H ALA 19 6.171 -2.050 -6.903 75 HA ALA 19 HA ALA 19 6.076 -4.804 -7.536 76 1HB ALA 19 1HB ALA 19 8.166 -3.523 -7.326 77 2HB ALA 19 2HB ALA 19 8.168 -4.979 -6.330 78 3HB ALA 19 3HB ALA 19 7.902 -3.401 -5.588 79 H VAL 20 H VAL 20 4.799 -3.050 -4.847 80 HA VAL 20 HA VAL 20 5.039 -5.340 -3.028 81 HB VAL 20 HB VAL 20 3.734 -2.686 -2.396 82 1HG1 VAL 20 1HG1 VAL 20 3.282 -4.476 -0.829 83 2HG1 VAL 20 2HG1 VAL 20 4.334 -3.273 -0.083 84 3HG1 VAL 20 3HG1 VAL 20 5.007 -4.799 -0.659 85 1HG2 VAL 20 1HG2 VAL 20 5.976 -2.180 -3.170 86 2HG2 VAL 20 2HG2 VAL 20 6.649 -3.393 -2.080 87 3HG2 VAL 20 3HG2 VAL 20 5.866 -1.954 -1.425 88 H THR 21 H THR 21 3.025 -3.834 -5.226 89 HA THR 21 HA THR 21 0.538 -4.820 -4.035 90 HB THR 21 HB THR 21 0.875 -3.149 -6.536 91 HG1 THR 21 HG1 THR 21 1.824 -2.062 -4.711 92 1HG2 THR 21 1HG2 THR 21 -1.279 -4.222 -6.194 93 2HG2 THR 21 2HG2 THR 21 -1.401 -2.470 -6.007 94 3HG2 THR 21 3HG2 THR 21 -1.376 -3.513 -4.585 95 H THR 22 H THR 22 2.706 -5.112 -6.728 96 HA THR 22 HA THR 22 1.420 -7.152 -8.146 97 HB THR 22 HB THR 22 4.350 -6.539 -7.711 98 HG1 THR 22 HG1 THR 22 3.331 -4.909 -8.839 99 1HG2 THR 22 1HG2 THR 22 3.082 -8.376 -9.725 100 2HG2 THR 22 2HG2 THR 22 4.093 -8.857 -8.365 101 3HG2 THR 22 3HG2 THR 22 4.780 -7.909 -9.682 102 H THR 23 H THR 23 3.468 -7.098 -5.292 103 HA THR 23 HA THR 23 3.489 -9.933 -4.934 104 HB THR 23 HB THR 23 4.136 -7.721 -2.975 105 HG1 THR 23 HG1 THR 23 5.576 -7.629 -4.670 106 1HG2 THR 23 1HG2 THR 23 3.685 -9.822 -1.821 107 2HG2 THR 23 2HG2 THR 23 5.409 -9.452 -1.776 108 3HG2 THR 23 3HG2 THR 23 4.797 -10.669 -2.897 109 H TYR 24 H TYR 24 1.807 -7.267 -3.153 110 HA TYR 24 HA TYR 24 -0.097 -9.309 -2.238 111 1HB TYR 24 2HB TYR 24 0.485 -6.594 -1.045 112 2HB TYR 24 1HB TYR 24 -0.572 -7.823 -0.364 113 HD1 TYR 24 HD1 TYR 24 0.648 -10.181 -0.005 114 HD2 TYR 24 HD2 TYR 24 2.612 -6.411 -0.203 115 HE1 TYR 24 HE1 TYR 24 2.578 -11.129 1.183 116 HE2 TYR 24 HE2 TYR 24 4.545 -7.346 0.992 117 HH TYR 24 HH TYR 24 4.969 -9.272 2.585 118 H SER 25 H SER 25 -1.702 -9.321 -3.687 119 HA SER 25 HA SER 25 -2.512 -7.009 -5.137 120 1HB SER 25 2HB SER 25 -4.344 -8.649 -5.913 121 2HB SER 25 1HB SER 25 -2.669 -9.034 -6.316 122 HG SER 25 HG SER 25 -4.328 -10.591 -5.098 123 H ASN 26 H ASN 26 -3.062 -7.845 -2.034 124 HA ASN 26 HA ASN 26 -5.793 -6.874 -1.882 125 1HB ASN 26 2HB ASN 26 -5.607 -7.238 0.508 126 2HB ASN 26 1HB ASN 26 -4.993 -8.648 -0.337 127 1HD2 ASN 26 1HD2 ASN 26 -4.330 -6.170 1.873 128 2HD2 ASN 26 2HD2 ASN 26 -2.673 -6.564 2.180 129 H ILE 27 H ILE 27 -2.711 -5.586 -2.120 130 HA ILE 27 HA ILE 27 -3.305 -3.105 -0.749 131 HB ILE 27 HB ILE 27 -1.126 -3.440 -2.798 132 1HG1 ILE 27 2HG1 ILE 27 -1.103 -4.459 0.037 133 2HG1 ILE 27 1HG1 ILE 27 -0.713 -5.320 -1.430 134 1HG2 ILE 27 1HG2 ILE 27 -1.568 -1.198 -1.942 135 2HG2 ILE 27 2HG2 ILE 27 0.021 -1.770 -1.434 136 3HG2 ILE 27 3HG2 ILE 27 -1.322 -1.772 -0.291 137 1HD1 ILE 27 1HD1 ILE 27 1.278 -4.819 -0.151 138 2HD1 ILE 27 2HD1 ILE 27 0.904 -3.099 -0.221 139 3HD1 ILE 27 3HD1 ILE 27 1.292 -3.977 -1.700 140 H THR 28 H THR 28 -3.665 -1.098 -1.883 141 HA THR 28 HA THR 28 -4.408 -1.369 -4.695 142 HB THR 28 HB THR 28 -6.522 0.066 -4.027 143 HG1 THR 28 HG1 THR 28 -5.665 -1.117 -1.641 144 1HG2 THR 28 1HG2 THR 28 -6.555 -2.114 -5.183 145 2HG2 THR 28 2HG2 THR 28 -7.866 -1.958 -4.013 146 3HG2 THR 28 3HG2 THR 28 -6.444 -2.926 -3.620 147 H LEU 29 H LEU 29 -4.051 0.423 -5.869 148 HA LEU 29 HA LEU 29 -2.730 2.620 -4.469 149 1HB LEU 29 2HB LEU 29 -1.763 1.321 -6.478 150 2HB LEU 29 1HB LEU 29 -2.903 2.232 -7.449 151 HG LEU 29 HG LEU 29 -0.795 3.520 -5.711 152 1HD1 LEU 29 1HD1 LEU 29 0.253 2.149 -7.438 153 2HD1 LEU 29 2HD1 LEU 29 0.466 3.868 -7.763 154 3HD1 LEU 29 3HD1 LEU 29 -0.731 2.942 -8.667 155 1HD2 LEU 29 1HD2 LEU 29 -1.247 5.492 -7.043 156 2HD2 LEU 29 2HD2 LEU 29 -2.727 4.931 -6.264 157 3HD2 LEU 29 3HD2 LEU 29 -2.457 4.610 -7.977 158 H GLU 30 H GLU 30 -4.098 4.145 -3.824 159 HA GLU 30 HA GLU 30 -6.165 5.027 -5.726 160 1HB GLU 30 2HB GLU 30 -6.289 4.837 -2.722 161 2HB GLU 30 1HB GLU 30 -7.408 5.827 -3.650 162 1HG GLU 30 2HG GLU 30 -7.988 3.738 -4.943 163 2HG GLU 30 1HG GLU 30 -7.077 2.843 -3.727 164 H ASP 31 H ASP 31 -6.863 7.312 -5.349 165 HA ASP 31 HA ASP 31 -6.314 9.491 -5.606 166 1HB ASP 31 2HB ASP 31 -4.689 8.793 -3.184 167 2HB ASP 31 1HB ASP 31 -4.667 10.418 -3.859 168 H ASP 32 H ASP 32 -5.129 7.842 -7.362 169 HA ASP 32 HA ASP 32 -2.302 8.205 -7.530 170 1HB ASP 32 2HB ASP 32 -3.429 6.233 -8.483 171 2HB ASP 32 1HB ASP 32 -4.281 7.271 -9.620 172 H GLN 33 H GLN 33 -1.675 10.300 -7.703 173 HA GLN 33 HA GLN 33 -2.756 11.859 -9.952 174 1HB GLN 33 2HB GLN 33 -0.884 12.714 -7.734 175 2HB GLN 33 1HB GLN 33 -1.583 13.767 -8.956 176 1HG GLN 33 2HG GLN 33 -3.811 13.314 -8.067 177 2HG GLN 33 1HG GLN 33 -3.099 12.271 -6.832 178 1HE2 GLN 33 1HE2 GLN 33 -3.545 15.524 -7.927 179 2HE2 GLN 33 2HE2 GLN 33 -2.993 16.305 -6.486 180 H GLY 34 H GLY 34 -0.122 9.972 -8.934 181 1HA GLY 34 2HA GLY 34 1.376 9.298 -10.833 182 2HA GLY 34 1HA GLY 34 1.591 11.026 -11.093 183 H SER 35 H SER 35 2.660 12.265 -9.465 184 HA SER 35 HA SER 35 4.815 10.908 -8.179 185 1HB SER 35 2HB SER 35 4.964 13.248 -9.037 186 2HB SER 35 1HB SER 35 3.845 13.756 -7.776 187 HG SER 35 HG SER 35 5.737 14.116 -6.828 188 H HIS 36 H HIS 36 1.698 12.180 -7.188 189 HA HIS 36 HA HIS 36 2.160 11.144 -4.472 190 1HB HIS 36 2HB HIS 36 0.209 13.221 -5.479 191 2HB HIS 36 1HB HIS 36 0.180 12.566 -3.847 192 HD1 HIS 36 HD1 HIS 36 1.365 15.394 -5.606 193 HD2 HIS 36 HD2 HIS 36 2.945 12.966 -2.618 194 HE1 HIS 36 HE1 HIS 36 3.179 16.750 -4.513 195 HE2 HIS 36 HE2 HIS 36 4.057 15.302 -2.641 196 H PHE 37 H PHE 37 0.875 9.623 -3.635 197 HA PHE 37 HA PHE 37 -1.733 8.994 -4.464 198 1HB PHE 37 2HB PHE 37 -1.359 6.794 -5.477 199 2HB PHE 37 1HB PHE 37 -0.580 8.042 -6.438 200 HD1 PHE 37 HD1 PHE 37 1.851 8.217 -6.519 201 HD2 PHE 37 HD2 PHE 37 -0.085 5.140 -4.301 202 HE1 PHE 37 HE1 PHE 37 3.968 6.978 -6.401 203 HE2 PHE 37 HE2 PHE 37 2.033 3.894 -4.179 204 HZ PHE 37 HZ PHE 37 4.059 4.811 -5.230 205 H ARG 38 H ARG 38 -2.532 7.029 -3.273 206 HA ARG 38 HA ARG 38 -0.742 6.352 -1.021 207 1HB ARG 38 2HB ARG 38 -2.712 6.320 0.481 208 2HB ARG 38 1HB ARG 38 -2.377 7.920 -0.165 209 1HG ARG 38 2HG ARG 38 -4.179 7.731 -1.731 210 2HG ARG 38 1HG ARG 38 -4.445 6.045 -1.276 211 1HD ARG 38 2HD ARG 38 -5.237 6.650 0.865 212 2HD ARG 38 1HD ARG 38 -4.660 8.308 0.690 213 HE ARG 38 HE ARG 38 -6.430 8.737 -0.844 214 1HH1 ARG 38 1HH1 ARG 38 -6.650 5.591 0.694 215 2HH1 ARG 38 2HH1 ARG 38 -8.346 5.408 0.373 216 1HH2 ARG 38 1HH2 ARG 38 -8.644 8.500 -1.269 217 2HH2 ARG 38 2HH2 ARG 38 -9.482 7.064 -0.751 218 H LEU 39 H LEU 39 -0.818 4.292 -0.255 219 HA LEU 39 HA LEU 39 -2.284 2.380 -1.919 220 1HB LEU 39 2HB LEU 39 -0.072 1.900 0.068 221 2HB LEU 39 1HB LEU 39 -0.830 0.677 -0.915 222 HG LEU 39 HG LEU 39 0.730 2.999 -2.011 223 1HD1 LEU 39 1HD1 LEU 39 2.128 1.446 -0.724 224 2HD1 LEU 39 2HD1 LEU 39 2.485 1.393 -2.449 225 3HD1 LEU 39 3HD1 LEU 39 1.530 0.110 -1.708 226 1HD2 LEU 39 1HD2 LEU 39 -0.984 2.133 -3.535 227 2HD2 LEU 39 2HD2 LEU 39 -0.329 0.507 -3.343 228 3HD2 LEU 39 3HD2 LEU 39 0.642 1.763 -4.109 229 H VAL 40 H VAL 40 -3.988 1.416 -1.190 230 HA VAL 40 HA VAL 40 -4.613 1.556 1.675 231 HB VAL 40 HB VAL 40 -6.471 0.842 -0.602 232 1HG1 VAL 40 1HG1 VAL 40 -7.040 1.613 2.260 233 2HG1 VAL 40 2HG1 VAL 40 -7.175 -0.006 1.580 234 3HG1 VAL 40 3HG1 VAL 40 -8.245 1.277 1.020 235 1HG2 VAL 40 1HG2 VAL 40 -6.080 3.488 0.787 236 2HG2 VAL 40 2HG2 VAL 40 -7.367 3.117 -0.360 237 3HG2 VAL 40 3HG2 VAL 40 -5.684 3.114 -0.891 238 H VAL 41 H VAL 41 -4.283 -0.216 2.824 239 HA VAL 41 HA VAL 41 -3.908 -2.767 1.460 240 HB VAL 41 HB VAL 41 -3.587 -2.217 4.415 241 1HG1 VAL 41 1HG1 VAL 41 -2.482 -4.365 2.615 242 2HG1 VAL 41 2HG1 VAL 41 -3.785 -4.558 3.786 243 3HG1 VAL 41 3HG1 VAL 41 -2.149 -4.195 4.339 244 1HG2 VAL 41 1HG2 VAL 41 -2.138 -0.693 3.165 245 2HG2 VAL 41 2HG2 VAL 41 -1.476 -2.057 2.265 246 3HG2 VAL 41 3HG2 VAL 41 -1.198 -1.928 4.002 247 H ARG 42 H ARG 42 -5.711 -3.870 1.089 248 HA ARG 42 HA ARG 42 -7.910 -3.677 3.024 249 1HB ARG 42 2HB ARG 42 -7.909 -4.493 0.114 250 2HB ARG 42 1HB ARG 42 -9.321 -4.540 1.156 251 1HG ARG 42 2HG ARG 42 -9.318 -2.170 1.404 252 2HG ARG 42 1HG ARG 42 -7.760 -2.031 0.584 253 1HD ARG 42 2HD ARG 42 -8.671 -2.311 -1.483 254 2HD ARG 42 1HD ARG 42 -9.958 -3.362 -0.895 255 HE ARG 42 HE ARG 42 -11.237 -1.482 -0.348 256 1HH1 ARG 42 1HH1 ARG 42 -8.162 -0.549 -1.784 257 2HH1 ARG 42 2HH1 ARG 42 -8.683 1.084 -2.099 258 1HH2 ARG 42 1HH2 ARG 42 -11.888 0.676 -0.797 259 2HH2 ARG 42 2HH2 ARG 42 -10.755 1.763 -1.546 260 H ASP 43 H ASP 43 -9.239 -5.706 3.166 261 HA ASP 43 HA ASP 43 -7.412 -7.997 3.453 262 1HB ASP 43 2HB ASP 43 -8.802 -8.827 5.174 263 2HB ASP 43 1HB ASP 43 -8.702 -7.097 5.467 264 H THR 44 H THR 44 -9.327 -10.019 3.636 265 HA THR 44 HA THR 44 -9.672 -10.695 0.922 266 HB THR 44 HB THR 44 -11.200 -12.521 2.091 267 HG1 THR 44 HG1 THR 44 -11.307 -11.601 4.134 268 1HG2 THR 44 1HG2 THR 44 -9.035 -12.945 1.029 269 2HG2 THR 44 2HG2 THR 44 -9.173 -13.820 2.553 270 3HG2 THR 44 3HG2 THR 44 -8.208 -12.347 2.467 271 H GLU 45 H GLU 45 -11.647 -8.865 3.044 272 HA GLU 45 HA GLU 45 -14.091 -9.397 1.538 273 1HB GLU 45 2HB GLU 45 -14.128 -9.158 4.035 274 2HB GLU 45 1HB GLU 45 -13.628 -7.485 3.838 275 1HG GLU 45 2HG GLU 45 -15.984 -7.548 4.207 276 2HG GLU 45 1HG GLU 45 -15.686 -7.062 2.538 277 H GLY 46 H GLY 46 -11.510 -7.131 1.776 278 1HA GLY 46 2HA GLY 46 -11.026 -5.593 0.024 279 2HA GLY 46 1HA GLY 46 -12.742 -5.533 -0.361 280 H ARG 47 H ARG 47 -12.327 -5.446 2.951 281 HA ARG 47 HA ARG 47 -13.034 -2.668 3.081 282 1HB ARG 47 2HB ARG 47 -13.133 -3.032 5.485 283 2HB ARG 47 1HB ARG 47 -13.987 -4.317 4.652 284 1HG ARG 47 2HG ARG 47 -12.123 -5.813 4.969 285 2HG ARG 47 1HG ARG 47 -11.173 -4.519 5.698 286 1HD ARG 47 2HD ARG 47 -12.655 -4.420 7.579 287 2HD ARG 47 1HD ARG 47 -13.769 -5.556 6.816 288 HE ARG 47 HE ARG 47 -11.950 -7.234 7.003 289 1HH1 ARG 47 1HH1 ARG 47 -11.831 -4.396 9.056 290 2HH1 ARG 47 2HH1 ARG 47 -10.999 -5.208 10.350 291 1HH2 ARG 47 1HH2 ARG 47 -10.828 -8.293 8.693 292 2HH2 ARG 47 2HH2 ARG 47 -10.421 -7.422 10.139 293 H MET 48 H MET 48 -11.801 -1.034 4.103 294 HA MET 48 HA MET 48 -8.966 -1.327 3.669 295 1HB MET 48 2HB MET 48 -8.806 1.038 4.319 296 2HB MET 48 1HB MET 48 -10.012 0.785 3.069 297 1HG MET 48 2HG MET 48 -11.787 0.942 4.730 298 2HG MET 48 1HG MET 48 -10.585 1.146 6.002 299 1HE MET 48 1HE MET 48 -12.233 2.691 2.820 300 2HE MET 48 2HE MET 48 -10.529 2.694 2.364 301 3HE MET 48 3HE MET 48 -11.367 4.220 2.648 302 H VAL 49 H VAL 49 -7.681 -2.211 5.099 303 HA VAL 49 HA VAL 49 -8.382 -2.081 7.939 304 HB VAL 49 HB VAL 49 -6.176 -3.669 6.605 305 1HG1 VAL 49 1HG1 VAL 49 -7.365 -3.845 9.376 306 2HG1 VAL 49 2HG1 VAL 49 -5.757 -3.246 8.968 307 3HG1 VAL 49 3HG1 VAL 49 -6.160 -4.944 8.710 308 1HG2 VAL 49 1HG2 VAL 49 -8.927 -4.561 7.464 309 2HG2 VAL 49 2HG2 VAL 49 -7.644 -5.611 6.860 310 3HG2 VAL 49 3HG2 VAL 49 -8.358 -4.392 5.801 311 H TRP 50 H TRP 50 -6.058 -1.040 5.582 312 HA TRP 50 HA TRP 50 -5.005 0.943 7.394 313 1HB TRP 50 2HB TRP 50 -3.563 -0.948 7.944 314 2HB TRP 50 1HB TRP 50 -3.225 -1.224 6.239 315 HD1 TRP 50 HD1 TRP 50 -1.160 -0.024 5.265 316 HE1 TRP 50 HE1 TRP 50 0.481 1.767 6.112 317 HE3 TRP 50 HE3 TRP 50 -3.537 1.256 9.606 318 HZ2 TRP 50 HZ2 TRP 50 0.737 3.491 8.337 319 HZ3 TRP 50 HZ3 TRP 50 -2.525 2.984 11.037 320 HH2 TRP 50 HH2 TRP 50 -0.434 4.076 10.414 321 H ARG 51 H ARG 51 -3.792 2.582 6.254 322 HA ARG 51 HA ARG 51 -3.345 2.327 3.434 323 1HB ARG 51 2HB ARG 51 -4.710 4.321 2.815 324 2HB ARG 51 1HB ARG 51 -5.672 2.929 3.293 325 1HG ARG 51 2HG ARG 51 -6.105 3.905 5.445 326 2HG ARG 51 1HG ARG 51 -5.007 5.244 5.100 327 1HD ARG 51 2HD ARG 51 -6.465 5.951 3.258 328 2HD ARG 51 1HD ARG 51 -7.559 4.615 3.617 329 HE ARG 51 HE ARG 51 -7.745 5.745 5.901 330 1HH1 ARG 51 1HH1 ARG 51 -7.235 7.471 2.894 331 2HH1 ARG 51 2HH1 ARG 51 -7.990 8.931 3.451 332 1HH2 ARG 51 1HH2 ARG 51 -8.765 7.663 6.619 333 2HH2 ARG 51 2HH2 ARG 51 -8.871 9.029 5.557 334 H ALA 52 H ALA 52 -1.843 3.791 2.697 335 HA ALA 52 HA ALA 52 -1.046 6.006 4.406 336 1HB ALA 52 1HB ALA 52 0.871 3.762 3.752 337 2HB ALA 52 2HB ALA 52 0.213 4.131 5.348 338 3HB ALA 52 3HB ALA 52 1.291 5.278 4.550 339 H TRP 53 H TRP 53 0.152 7.580 3.295 340 HA TRP 53 HA TRP 53 -0.071 7.466 0.433 341 1HB TRP 53 2HB TRP 53 0.898 9.555 2.360 342 2HB TRP 53 1HB TRP 53 1.111 9.735 0.636 343 HD1 TRP 53 HD1 TRP 53 -1.537 9.559 3.251 344 HE1 TRP 53 HE1 TRP 53 -3.665 10.673 2.351 345 HE3 TRP 53 HE3 TRP 53 -0.059 10.290 -1.542 346 HZ2 TRP 53 HZ2 TRP 53 -4.613 11.701 -0.104 347 HZ3 TRP 53 HZ3 TRP 53 -1.624 11.338 -3.124 348 HH2 TRP 53 HH2 TRP 53 -3.855 12.029 -2.417 349 H ASN 54 H ASN 54 1.879 8.678 -0.584 350 HA ASN 54 HA ASN 54 4.030 6.737 -0.563 351 1HB ASN 54 2HB ASN 54 3.056 7.685 -2.671 352 2HB ASN 54 1HB ASN 54 3.742 9.245 -2.234 353 1HD2 ASN 54 1HD2 ASN 54 5.993 9.527 -2.313 354 2HD2 ASN 54 2HD2 ASN 54 7.011 8.423 -3.172 355 H PHE 55 H PHE 55 3.434 9.979 0.518 356 HA PHE 55 HA PHE 55 6.277 10.497 0.919 357 1HB PHE 55 2HB PHE 55 5.506 12.839 1.409 358 2HB PHE 55 1HB PHE 55 5.150 12.268 -0.217 359 HD1 PHE 55 HD1 PHE 55 2.877 11.915 -0.941 360 HD2 PHE 55 HD2 PHE 55 3.725 13.175 3.037 361 HE1 PHE 55 HE1 PHE 55 0.512 12.507 -0.625 362 HE2 PHE 55 HE2 PHE 55 1.355 13.767 3.350 363 HZ PHE 55 HZ PHE 55 -0.251 13.434 1.516 364 H GLU 56 H GLU 56 4.138 8.923 2.685 365 HA GLU 56 HA GLU 56 4.245 10.300 5.182 366 1HB GLU 56 2HB GLU 56 3.646 7.400 4.566 367 2HB GLU 56 1HB GLU 56 3.436 8.149 6.140 368 1HG GLU 56 2HG GLU 56 2.000 8.942 3.618 369 2HG GLU 56 1HG GLU 56 1.330 7.952 4.914 370 HA PRO 57 HA PRO 57 8.468 9.816 6.189 371 1HB PRO 57 2HB PRO 57 8.084 9.585 8.965 372 2HB PRO 57 1HB PRO 57 8.339 11.075 8.054 373 1HG PRO 57 2HG PRO 57 5.799 9.849 9.009 374 2HG PRO 57 1HG PRO 57 6.241 11.560 8.866 375 1HD PRO 57 2HD PRO 57 4.593 10.410 7.109 376 2HD PRO 57 1HD PRO 57 5.795 11.611 6.588 377 H ASP 58 H ASP 58 6.216 7.560 7.769 378 HA ASP 58 HA ASP 58 8.254 5.477 7.402 379 1HB ASP 58 2HB ASP 58 7.772 4.489 9.535 380 2HB ASP 58 1HB ASP 58 8.121 6.190 9.806 381 H ALA 59 H ALA 59 6.350 5.982 5.539 382 HA ALA 59 HA ALA 59 3.835 4.861 5.770 383 1HB ALA 59 1HB ALA 59 3.795 4.735 3.384 384 2HB ALA 59 2HB ALA 59 5.554 4.701 3.303 385 3HB ALA 59 3HB ALA 59 4.728 6.164 3.827 386 H GLY 60 H GLY 60 6.858 3.275 4.827 387 1HA GLY 60 2HA GLY 60 5.844 0.748 4.250 388 2HA GLY 60 1HA GLY 60 7.485 1.080 4.779 389 H GLU 61 H GLU 61 6.754 2.134 7.357 390 HA GLU 61 HA GLU 61 6.934 -0.267 8.789 391 1HB GLU 61 2HB GLU 61 7.768 1.953 9.559 392 2HB GLU 61 1HB GLU 61 6.104 2.450 9.832 393 1HG GLU 61 2HG GLU 61 7.169 1.795 11.905 394 2HG GLU 61 1HG GLU 61 5.850 0.700 11.505 395 H GLY 62 H GLY 62 4.173 1.848 8.114 396 1HA GLY 62 2HA GLY 62 2.325 0.425 9.753 397 2HA GLY 62 1HA GLY 62 1.914 1.520 8.438 398 H LEU 63 H LEU 63 3.152 0.306 6.326 399 HA LEU 63 HA LEU 63 1.360 -1.683 5.523 400 1HB LEU 63 2HB LEU 63 4.170 -1.245 4.500 401 2HB LEU 63 1HB LEU 63 2.865 -2.053 3.653 402 HG LEU 63 HG LEU 63 2.851 0.870 4.410 403 1HD1 LEU 63 1HD1 LEU 63 3.236 1.286 2.032 404 2HD1 LEU 63 2HD1 LEU 63 3.415 -0.447 1.759 405 3HD1 LEU 63 3HD1 LEU 63 4.580 0.413 2.766 406 1HD2 LEU 63 1HD2 LEU 63 1.026 -0.751 2.640 407 2HD2 LEU 63 2HD2 LEU 63 0.952 0.994 2.869 408 3HD2 LEU 63 3HD2 LEU 63 0.622 -0.086 4.223 409 H ASN 64 H ASN 64 4.690 -1.920 6.735 410 HA ASN 64 HA ASN 64 4.968 -4.707 6.600 411 1HB ASN 64 2HB ASN 64 6.207 -2.844 8.638 412 2HB ASN 64 1HB ASN 64 6.759 -4.468 8.257 413 1HD2 ASN 64 1HD2 ASN 64 6.148 -3.869 5.340 414 2HD2 ASN 64 2HD2 ASN 64 7.513 -2.950 4.825 415 H ARG 65 H ARG 65 3.435 -2.644 8.946 416 HA ARG 65 HA ARG 65 3.349 -4.531 11.067 417 1HB ARG 65 2HB ARG 65 3.125 -1.965 11.165 418 2HB ARG 65 1HB ARG 65 1.442 -2.225 10.729 419 1HG ARG 65 2HG ARG 65 1.635 -1.984 13.109 420 2HG ARG 65 1HG ARG 65 1.178 -3.647 12.725 421 1HD ARG 65 2HD ARG 65 2.913 -3.508 14.476 422 2HD ARG 65 1HD ARG 65 3.447 -4.392 13.046 423 HE ARG 65 HE ARG 65 4.755 -2.464 12.420 424 1HH1 ARG 65 1HH1 ARG 65 3.482 -2.455 15.678 425 2HH1 ARG 65 2HH1 ARG 65 4.633 -1.283 16.262 426 1HH2 ARG 65 1HH2 ARG 65 6.294 -0.959 13.179 427 2HH2 ARG 65 2HH2 ARG 65 6.234 -0.444 14.840 428 H TYR 66 H TYR 66 1.186 -3.785 8.377 429 HA TYR 66 HA TYR 66 -0.725 -5.743 9.362 430 1HB TYR 66 2HB TYR 66 -1.615 -3.832 8.128 431 2HB TYR 66 1HB TYR 66 -0.656 -4.275 6.717 432 HD1 TYR 66 HD1 TYR 66 -3.528 -5.243 8.817 433 HD2 TYR 66 HD2 TYR 66 -1.359 -6.040 5.248 434 HE1 TYR 66 HE1 TYR 66 -5.356 -6.694 8.040 435 HE2 TYR 66 HE2 TYR 66 -3.181 -7.492 4.458 436 HH TYR 66 HH TYR 66 -5.026 -8.767 5.314 437 H ILE 67 H ILE 67 1.693 -5.474 6.794 438 HA ILE 67 HA ILE 67 1.206 -7.892 5.494 439 HB ILE 67 HB ILE 67 3.813 -6.408 5.853 440 1HG1 ILE 67 2HG1 ILE 67 1.908 -6.545 3.504 441 2HG1 ILE 67 1HG1 ILE 67 1.993 -5.209 4.648 442 1HG2 ILE 67 1HG2 ILE 67 4.249 -8.757 5.332 443 2HG2 ILE 67 2HG2 ILE 67 4.670 -7.710 3.976 444 3HG2 ILE 67 3HG2 ILE 67 3.175 -8.648 3.936 445 1HD1 ILE 67 1HD1 ILE 67 4.173 -6.096 2.769 446 2HD1 ILE 67 2HD1 ILE 67 4.309 -4.789 3.950 447 3HD1 ILE 67 3HD1 ILE 67 3.165 -4.655 2.613 448 H ARG 68 H ARG 68 3.743 -7.273 7.943 449 HA ARG 68 HA ARG 68 4.823 -8.638 9.401 450 1HB ARG 68 2HB ARG 68 2.069 -9.827 9.477 451 2HB ARG 68 1HB ARG 68 3.334 -10.208 10.634 452 1HG ARG 68 2HG ARG 68 3.439 -7.810 11.239 453 2HG ARG 68 1HG ARG 68 2.073 -7.521 10.162 454 1HD ARG 68 2HD ARG 68 2.063 -9.339 12.565 455 2HD ARG 68 1HD ARG 68 1.382 -7.718 12.506 456 HE ARG 68 HE ARG 68 0.354 -10.056 11.032 457 1HH1 ARG 68 1HH1 ARG 68 -0.061 -6.788 12.220 458 2HH1 ARG 68 2HH1 ARG 68 -1.794 -6.817 12.081 459 1HH2 ARG 68 1HH2 ARG 68 -1.937 -10.099 10.852 460 2HH2 ARG 68 2HH2 ARG 68 -2.848 -8.683 11.283 461 H THR 69 H THR 69 4.746 -9.356 6.631 462 HA THR 69 HA THR 69 5.734 -10.747 5.212 463 HB THR 69 HB THR 69 7.564 -10.824 6.874 464 HG1 THR 69 HG1 THR 69 6.963 -13.124 5.313 465 1HG2 THR 69 1HG2 THR 69 7.875 -12.809 8.269 466 2HG2 THR 69 2HG2 THR 69 6.288 -13.410 7.782 467 3HG2 THR 69 3HG2 THR 69 6.418 -11.929 8.736 468 H SER 70 H SER 70 3.061 -11.338 6.478 469 HA SER 70 HA SER 70 2.856 -14.041 5.346 470 1HB SER 70 2HB SER 70 0.652 -14.121 6.529 471 2HB SER 70 1HB SER 70 2.031 -13.947 7.617 472 HG SER 70 HG SER 70 -0.085 -12.456 7.550 473 H GLY 71 H GLY 71 0.886 -11.123 5.674 474 1HA GLY 71 2HA GLY 71 -0.254 -9.860 4.141 475 2HA GLY 71 1HA GLY 71 0.781 -10.560 2.908 476 H ILE 72 H ILE 72 -1.473 -10.184 1.882 477 HA ILE 72 HA ILE 72 -3.162 -12.547 2.287 478 HB ILE 72 HB ILE 72 -3.725 -10.014 0.731 479 1HG1 ILE 72 2HG1 ILE 72 -3.612 -9.517 3.081 480 2HG1 ILE 72 1HG1 ILE 72 -5.308 -9.544 2.612 481 1HG2 ILE 72 1HG2 ILE 72 -4.988 -11.858 -0.183 482 2HG2 ILE 72 2HG2 ILE 72 -6.059 -10.769 0.702 483 3HG2 ILE 72 3HG2 ILE 72 -5.563 -12.299 1.428 484 1HD1 ILE 72 1HD1 ILE 72 -3.827 -11.762 4.016 485 2HD1 ILE 72 2HD1 ILE 72 -5.535 -11.779 3.562 486 3HD1 ILE 72 3HD1 ILE 72 -4.952 -10.623 4.760 487 H ARG 73 H ARG 73 -0.524 -11.851 0.684 488 HA ARG 73 HA ARG 73 -0.956 -12.374 -2.026 489 1HB ARG 73 2HB ARG 73 1.170 -11.556 -1.489 490 2HB ARG 73 1HB ARG 73 1.410 -12.741 -0.211 491 1HG ARG 73 2HG ARG 73 1.821 -14.466 -1.752 492 2HG ARG 73 1HG ARG 73 1.203 -13.515 -3.088 493 1HD ARG 73 2HD ARG 73 3.110 -11.995 -2.894 494 2HD ARG 73 1HD ARG 73 3.712 -12.925 -1.520 495 HE ARG 73 HE ARG 73 3.362 -14.639 -3.735 496 1HH1 ARG 73 1HH1 ARG 73 5.498 -12.092 -2.609 497 2HH1 ARG 73 2HH1 ARG 73 6.852 -12.647 -3.547 498 1HH2 ARG 73 1HH2 ARG 73 5.129 -15.351 -4.963 499 2HH2 ARG 73 2HH2 ARG 73 6.640 -14.499 -4.879 500 H THR 74 H THR 74 0.526 -14.693 0.223 501 HA THR 74 HA THR 74 -0.634 -16.872 -1.348 502 HB THR 74 HB THR 74 1.781 -17.007 -0.910 503 HG1 THR 74 HG1 THR 74 -0.001 -18.912 0.106 504 1HG2 THR 74 1HG2 THR 74 2.628 -17.356 1.364 505 2HG2 THR 74 2HG2 THR 74 1.004 -17.103 2.007 506 3HG2 THR 74 3HG2 THR 74 1.851 -15.781 1.201 507 H ASP 75 H ASP 75 -1.592 -14.960 0.949 508 HA ASP 75 HA ASP 75 -3.055 -14.993 2.700 509 1HB ASP 75 2HB ASP 75 -4.452 -16.206 1.109 510 2HB ASP 75 1HB ASP 75 -3.746 -17.723 1.652 Start of MODEL 4 1 H GLY 10 H GLY 10 11.727 3.523 6.174 2 1HA GLY 10 2HA GLY 10 10.429 5.399 6.217 3 2HA GLY 10 1HA GLY 10 11.525 6.042 5.011 4 HA PRO 11 HA PRO 11 7.766 5.891 2.537 5 1HB PRO 11 2HB PRO 11 9.042 7.728 0.737 6 2HB PRO 11 1HB PRO 11 7.742 8.052 1.887 7 1HG PRO 11 2HG PRO 11 10.296 9.062 2.099 8 2HG PRO 11 1HG PRO 11 9.176 8.865 3.458 9 1HD PRO 11 2HD PRO 11 11.452 7.119 2.604 10 2HD PRO 11 1HD PRO 11 10.927 7.575 4.240 11 H PHE 12 H PHE 12 7.411 5.601 0.129 12 HA PHE 12 HA PHE 12 9.524 3.852 -0.965 13 1HB PHE 12 2HB PHE 12 7.665 2.479 -1.951 14 2HB PHE 12 1HB PHE 12 7.795 2.407 -0.200 15 HD1 PHE 12 HD1 PHE 12 5.645 3.080 -2.982 16 HD2 PHE 12 HD2 PHE 12 6.187 3.816 1.172 17 HE1 PHE 12 HE1 PHE 12 3.255 3.653 -2.768 18 HE2 PHE 12 HE2 PHE 12 3.809 4.395 1.384 19 HZ PHE 12 HZ PHE 12 2.344 4.321 -0.588 20 H THR 13 H THR 13 8.619 3.269 -3.374 21 HA THR 13 HA THR 13 8.094 5.821 -4.744 22 HB THR 13 HB THR 13 9.544 5.080 -6.569 23 HG1 THR 13 HG1 THR 13 10.824 3.048 -5.312 24 1HG2 THR 13 1HG2 THR 13 10.893 4.894 -3.880 25 2HG2 THR 13 2HG2 THR 13 10.580 6.375 -4.784 26 3HG2 THR 13 3HG2 THR 13 11.714 5.179 -5.414 27 H ARG 14 H ARG 14 7.482 5.221 -7.179 28 HA ARG 14 HA ARG 14 5.118 3.668 -7.171 29 1HB ARG 14 2HB ARG 14 5.877 5.497 -8.827 30 2HB ARG 14 1HB ARG 14 6.772 4.222 -9.626 31 1HG ARG 14 2HG ARG 14 4.660 2.965 -9.903 32 2HG ARG 14 1HG ARG 14 3.795 4.344 -9.220 33 1HD ARG 14 2HD ARG 14 4.643 5.766 -11.021 34 2HD ARG 14 1HD ARG 14 5.503 4.387 -11.702 35 HE ARG 14 HE ARG 14 2.572 4.359 -11.424 36 1HH1 ARG 14 1HH1 ARG 14 5.437 4.161 -13.433 37 2HH1 ARG 14 2HH1 ARG 14 4.570 3.597 -14.831 38 1HH2 ARG 14 1HH2 ARG 14 1.435 3.634 -13.254 39 2HH2 ARG 14 2HH2 ARG 14 2.289 3.287 -14.729 40 H ARG 15 H ARG 15 8.415 3.055 -8.182 41 HA ARG 15 HA ARG 15 8.121 0.484 -9.235 42 1HB ARG 15 2HB ARG 15 10.185 1.811 -9.468 43 2HB ARG 15 1HB ARG 15 10.502 1.617 -7.747 44 1HG ARG 15 2HG ARG 15 10.585 -0.848 -8.112 45 2HG ARG 15 1HG ARG 15 10.467 -0.541 -9.846 46 1HD ARG 15 2HD ARG 15 12.623 0.544 -8.044 47 2HD ARG 15 1HD ARG 15 12.789 -0.899 -9.039 48 HE ARG 15 HE ARG 15 12.050 1.494 -10.494 49 1HH1 ARG 15 1HH1 ARG 15 14.673 -0.533 -9.315 50 2HH1 ARG 15 2HH1 ARG 15 15.840 0.104 -10.446 51 1HH2 ARG 15 1HH2 ARG 15 13.577 2.309 -11.992 52 2HH2 ARG 15 2HH2 ARG 15 15.213 1.719 -11.966 53 H GLN 16 H GLN 16 9.072 1.438 -5.926 54 HA GLN 16 HA GLN 16 9.082 -1.161 -4.852 55 1HB GLN 16 2HB GLN 16 8.911 1.574 -3.708 56 2HB GLN 16 1HB GLN 16 8.455 0.238 -2.669 57 1HG GLN 16 2HG GLN 16 10.750 0.789 -2.279 58 2HG GLN 16 1HG GLN 16 10.672 -0.780 -3.076 59 1HE2 GLN 16 1HE2 GLN 16 11.518 -1.013 -5.115 60 2HE2 GLN 16 2HE2 GLN 16 12.471 0.210 -5.871 61 H ALA 17 H ALA 17 6.543 1.329 -4.872 62 HA ALA 17 HA ALA 17 4.557 0.021 -3.470 63 1HB ALA 17 1HB ALA 17 2.945 1.367 -4.680 64 2HB ALA 17 2HB ALA 17 4.139 1.712 -5.933 65 3HB ALA 17 3HB ALA 17 4.374 2.326 -4.295 66 H GLN 18 H GLN 18 5.041 -0.131 -6.999 67 HA GLN 18 HA GLN 18 3.013 -1.950 -7.564 68 1HB GLN 18 2HB GLN 18 5.572 -1.221 -8.939 69 2HB GLN 18 1HB GLN 18 4.554 -2.503 -9.574 70 1HG GLN 18 2HG GLN 18 2.691 -0.947 -9.767 71 2HG GLN 18 1HG GLN 18 3.689 0.338 -9.090 72 1HE2 GLN 18 1HE2 GLN 18 6.076 -0.510 -10.498 73 2HE2 GLN 18 2HE2 GLN 18 5.867 -0.043 -12.154 74 H ALA 19 H ALA 19 6.329 -2.533 -6.531 75 HA ALA 19 HA ALA 19 6.382 -5.300 -7.080 76 1HB ALA 19 1HB ALA 19 8.335 -5.367 -5.622 77 2HB ALA 19 2HB ALA 19 7.963 -3.744 -5.040 78 3HB ALA 19 3HB ALA 19 8.410 -3.993 -6.726 79 H VAL 20 H VAL 20 4.954 -3.477 -4.473 80 HA VAL 20 HA VAL 20 4.988 -5.805 -2.697 81 HB VAL 20 HB VAL 20 3.702 -3.131 -2.126 82 1HG1 VAL 20 1HG1 VAL 20 3.084 -4.967 -0.646 83 2HG1 VAL 20 2HG1 VAL 20 4.058 -3.776 0.212 84 3HG1 VAL 20 3HG1 VAL 20 4.785 -5.293 -0.315 85 1HG2 VAL 20 1HG2 VAL 20 6.052 -2.737 -2.709 86 2HG2 VAL 20 2HG2 VAL 20 6.551 -3.936 -1.515 87 3HG2 VAL 20 3HG2 VAL 20 5.756 -2.449 -0.995 88 H THR 21 H THR 21 3.109 -3.993 -4.851 89 HA THR 21 HA THR 21 0.564 -5.024 -4.013 90 HB THR 21 HB THR 21 1.189 -3.546 -6.568 91 HG1 THR 21 HG1 THR 21 1.961 -2.285 -4.809 92 1HG2 THR 21 1HG2 THR 21 -1.109 -2.858 -6.371 93 2HG2 THR 21 2HG2 THR 21 -1.242 -3.694 -4.825 94 3HG2 THR 21 3HG2 THR 21 -1.008 -4.621 -6.305 95 H THR 22 H THR 22 2.932 -5.650 -6.579 96 HA THR 22 HA THR 22 1.338 -7.628 -7.859 97 HB THR 22 HB THR 22 3.329 -6.535 -8.953 98 HG1 THR 22 HG1 THR 22 3.284 -9.386 -8.836 99 1HG2 THR 22 1HG2 THR 22 4.910 -6.677 -7.095 100 2HG2 THR 22 2HG2 THR 22 5.550 -7.475 -8.529 101 3HG2 THR 22 3HG2 THR 22 4.897 -8.436 -7.202 102 H THR 23 H THR 23 3.455 -7.552 -5.078 103 HA THR 23 HA THR 23 3.327 -10.371 -4.615 104 HB THR 23 HB THR 23 3.834 -8.166 -2.605 105 HG1 THR 23 HG1 THR 23 5.423 -7.990 -4.138 106 1HG2 THR 23 1HG2 THR 23 3.289 -10.355 -1.609 107 2HG2 THR 23 2HG2 THR 23 4.971 -9.906 -1.322 108 3HG2 THR 23 3HG2 THR 23 4.575 -11.098 -2.561 109 H TYR 24 H TYR 24 1.652 -7.596 -3.021 110 HA TYR 24 HA TYR 24 -0.485 -9.489 -2.282 111 1HB TYR 24 2HB TYR 24 0.245 -6.829 -1.029 112 2HB TYR 24 1HB TYR 24 -0.951 -7.971 -0.433 113 HD1 TYR 24 HD1 TYR 24 2.195 -6.777 0.188 114 HD2 TYR 24 HD2 TYR 24 0.175 -10.489 -0.256 115 HE1 TYR 24 HE1 TYR 24 3.964 -7.887 1.485 116 HE2 TYR 24 HE2 TYR 24 1.937 -11.613 1.032 117 HH TYR 24 HH TYR 24 4.229 -11.301 1.689 118 H SER 25 H SER 25 -2.066 -9.280 -3.811 119 HA SER 25 HA SER 25 -2.421 -6.736 -5.138 120 1HB SER 25 2HB SER 25 -3.813 -9.377 -5.553 121 2HB SER 25 1HB SER 25 -3.911 -7.981 -6.607 122 HG SER 25 HG SER 25 -1.373 -8.382 -6.321 123 H ASN 26 H ASN 26 -3.288 -7.737 -2.284 124 HA ASN 26 HA ASN 26 -6.004 -6.712 -2.257 125 1HB ASN 26 2HB ASN 26 -5.860 -7.104 0.182 126 2HB ASN 26 1HB ASN 26 -5.427 -8.546 -0.732 127 1HD2 ASN 26 1HD2 ASN 26 -4.458 -6.311 1.606 128 2HD2 ASN 26 2HD2 ASN 26 -2.846 -6.889 1.836 129 H ILE 27 H ILE 27 -2.890 -5.553 -2.335 130 HA ILE 27 HA ILE 27 -3.364 -3.093 -0.890 131 HB ILE 27 HB ILE 27 -1.176 -3.553 -2.915 132 1HG1 ILE 27 2HG1 ILE 27 -1.269 -4.536 -0.073 133 2HG1 ILE 27 1HG1 ILE 27 -0.869 -5.419 -1.525 134 1HG2 ILE 27 1HG2 ILE 27 0.051 -1.942 -1.513 135 2HG2 ILE 27 2HG2 ILE 27 -1.369 -1.796 -0.477 136 3HG2 ILE 27 3HG2 ILE 27 -1.449 -1.276 -2.159 137 1HD1 ILE 27 1HD1 ILE 27 1.091 -4.995 -0.168 138 2HD1 ILE 27 2HD1 ILE 27 0.805 -3.257 -0.283 139 3HD1 ILE 27 3HD1 ILE 27 1.205 -4.183 -1.729 140 H THR 28 H THR 28 -3.812 -1.070 -1.902 141 HA THR 28 HA THR 28 -4.529 -1.236 -4.741 142 HB THR 28 HB THR 28 -6.648 0.101 -4.155 143 HG1 THR 28 HG1 THR 28 -5.841 -0.851 -1.624 144 1HG2 THR 28 1HG2 THR 28 -6.437 -2.823 -3.433 145 2HG2 THR 28 2HG2 THR 28 -6.756 -2.153 -5.033 146 3HG2 THR 28 3HG2 THR 28 -7.944 -1.963 -3.744 147 H LEU 29 H LEU 29 -3.945 0.499 -5.862 148 HA LEU 29 HA LEU 29 -2.752 2.720 -4.438 149 1HB LEU 29 2HB LEU 29 -1.818 1.535 -6.538 150 2HB LEU 29 1HB LEU 29 -3.011 2.463 -7.427 151 HG LEU 29 HG LEU 29 -0.943 3.774 -5.664 152 1HD1 LEU 29 1HD1 LEU 29 -0.758 3.147 -8.610 153 2HD1 LEU 29 2HD1 LEU 29 0.238 2.452 -7.329 154 3HD1 LEU 29 3HD1 LEU 29 0.358 4.171 -7.706 155 1HD2 LEU 29 1HD2 LEU 29 -2.882 5.136 -6.264 156 2HD2 LEU 29 2HD2 LEU 29 -2.601 4.791 -7.971 157 3HD2 LEU 29 3HD2 LEU 29 -1.419 5.724 -7.054 158 H GLU 30 H GLU 30 -3.904 4.407 -3.859 159 HA GLU 30 HA GLU 30 -6.248 5.152 -5.480 160 1HB GLU 30 2HB GLU 30 -5.920 5.103 -2.491 161 2HB GLU 30 1HB GLU 30 -7.153 6.076 -3.273 162 1HG GLU 30 2HG GLU 30 -8.095 4.035 -4.272 163 2HG GLU 30 1HG GLU 30 -6.889 3.082 -3.403 164 H ASP 31 H ASP 31 -6.964 7.410 -4.937 165 HA ASP 31 HA ASP 31 -6.635 9.624 -5.059 166 1HB ASP 31 2HB ASP 31 -5.657 8.875 -2.658 167 2HB ASP 31 1HB ASP 31 -4.234 9.647 -3.351 168 H ASP 32 H ASP 32 -5.902 8.890 -7.284 169 HA ASP 32 HA ASP 32 -3.110 9.198 -7.883 170 1HB ASP 32 2HB ASP 32 -5.559 8.890 -9.621 171 2HB ASP 32 1HB ASP 32 -3.935 9.035 -10.254 172 H GLN 33 H GLN 33 -2.526 11.324 -7.341 173 HA GLN 33 HA GLN 33 -3.762 13.373 -9.063 174 1HB GLN 33 2HB GLN 33 -3.500 13.808 -6.552 175 2HB GLN 33 1HB GLN 33 -1.767 13.904 -6.858 176 1HG GLN 33 2HG GLN 33 -2.298 15.675 -8.576 177 2HG GLN 33 1HG GLN 33 -3.936 15.684 -7.933 178 1HE2 GLN 33 1HE2 GLN 33 -2.017 17.811 -8.027 179 2HE2 GLN 33 2HE2 GLN 33 -1.757 18.313 -6.389 180 H GLY 34 H GLY 34 -1.197 11.261 -8.876 181 1HA GLY 34 2HA GLY 34 0.321 11.155 -10.779 182 2HA GLY 34 1HA GLY 34 0.403 12.912 -10.727 183 H SER 35 H SER 35 1.512 13.923 -8.958 184 HA SER 35 HA SER 35 3.833 12.458 -8.126 185 1HB SER 35 2HB SER 35 2.887 15.209 -7.283 186 2HB SER 35 1HB SER 35 4.510 14.551 -7.066 187 HG SER 35 HG SER 35 4.374 15.903 -8.907 188 H HIS 36 H HIS 36 0.714 13.017 -6.883 189 HA HIS 36 HA HIS 36 1.532 11.922 -4.277 190 1HB HIS 36 2HB HIS 36 -0.820 13.693 -4.963 191 2HB HIS 36 1HB HIS 36 -0.640 12.872 -3.420 192 HD1 HIS 36 HD1 HIS 36 2.364 13.465 -2.910 193 HD2 HIS 36 HD2 HIS 36 -0.419 16.275 -4.208 194 HE1 HIS 36 HE1 HIS 36 3.272 15.699 -2.207 195 HE2 HIS 36 HE2 HIS 36 1.502 17.363 -2.850 196 H PHE 37 H PHE 37 0.628 10.071 -3.619 197 HA PHE 37 HA PHE 37 -1.905 9.141 -4.470 198 1HB PHE 37 2HB PHE 37 -1.174 7.068 -5.592 199 2HB PHE 37 1HB PHE 37 -0.708 8.498 -6.498 200 HD1 PHE 37 HD1 PHE 37 0.449 5.573 -4.698 201 HD2 PHE 37 HD2 PHE 37 1.657 9.192 -6.586 202 HE1 PHE 37 HE1 PHE 37 2.766 4.752 -4.782 203 HE2 PHE 37 HE2 PHE 37 3.975 8.376 -6.675 204 HZ PHE 37 HZ PHE 37 4.530 6.152 -5.772 205 H ARG 38 H ARG 38 -2.516 7.161 -3.350 206 HA ARG 38 HA ARG 38 -0.673 6.496 -1.125 207 1HB ARG 38 2HB ARG 38 -2.543 6.414 0.415 208 2HB ARG 38 1HB ARG 38 -2.500 7.995 -0.356 209 1HG ARG 38 2HG ARG 38 -4.257 7.263 -1.911 210 2HG ARG 38 1HG ARG 38 -4.319 5.709 -1.081 211 1HD ARG 38 2HD ARG 38 -4.926 6.897 1.005 212 2HD ARG 38 1HD ARG 38 -4.951 8.411 0.099 213 HE ARG 38 HE ARG 38 -6.676 6.243 -0.841 214 1HH1 ARG 38 1HH1 ARG 38 -6.374 9.308 0.829 215 2HH1 ARG 38 2HH1 ARG 38 -8.062 9.688 0.710 216 1HH2 ARG 38 1HH2 ARG 38 -8.878 6.724 -1.019 217 2HH2 ARG 38 2HH2 ARG 38 -9.492 8.229 -0.376 218 H LEU 39 H LEU 39 -0.969 4.381 -0.191 219 HA LEU 39 HA LEU 39 -2.399 2.526 -1.978 220 1HB LEU 39 2HB LEU 39 -0.092 1.895 -0.144 221 2HB LEU 39 1HB LEU 39 -0.909 0.768 -1.188 222 HG LEU 39 HG LEU 39 0.629 3.141 -2.181 223 1HD1 LEU 39 1HD1 LEU 39 2.112 1.560 -1.089 224 2HD1 LEU 39 2HD1 LEU 39 2.328 1.496 -2.837 225 3HD1 LEU 39 3HD1 LEU 39 1.410 0.233 -2.015 226 1HD2 LEU 39 1HD2 LEU 39 0.459 2.011 -4.343 227 2HD2 LEU 39 2HD2 LEU 39 -1.130 2.407 -3.690 228 3HD2 LEU 39 3HD2 LEU 39 -0.530 0.750 -3.603 229 H VAL 40 H VAL 40 -4.095 1.602 -1.187 230 HA VAL 40 HA VAL 40 -4.529 1.582 1.719 231 HB VAL 40 HB VAL 40 -6.531 1.140 -0.508 232 1HG1 VAL 40 1HG1 VAL 40 -7.162 -0.009 1.540 233 2HG1 VAL 40 2HG1 VAL 40 -8.219 1.374 1.258 234 3HG1 VAL 40 3HG1 VAL 40 -6.935 1.476 2.463 235 1HG2 VAL 40 1HG2 VAL 40 -7.370 3.363 0.053 236 2HG2 VAL 40 2HG2 VAL 40 -5.690 3.426 -0.484 237 3HG2 VAL 40 3HG2 VAL 40 -6.072 3.558 1.233 238 H VAL 41 H VAL 41 -4.335 -0.270 2.770 239 HA VAL 41 HA VAL 41 -4.069 -2.736 1.229 240 HB VAL 41 HB VAL 41 -3.662 -2.527 4.199 241 1HG1 VAL 41 1HG1 VAL 41 -2.100 -4.373 3.765 242 2HG1 VAL 41 2HG1 VAL 41 -2.505 -4.294 2.050 243 3HG1 VAL 41 3HG1 VAL 41 -3.739 -4.742 3.229 244 1HG2 VAL 41 1HG2 VAL 41 -1.273 -2.076 3.771 245 2HG2 VAL 41 2HG2 VAL 41 -2.311 -0.749 3.248 246 3HG2 VAL 41 3HG2 VAL 41 -1.640 -1.862 2.057 247 H ARG 42 H ARG 42 -5.873 -3.814 0.882 248 HA ARG 42 HA ARG 42 -8.021 -3.673 2.882 249 1HB ARG 42 2HB ARG 42 -8.173 -4.554 -0.008 250 2HB ARG 42 1HB ARG 42 -9.531 -4.293 1.081 251 1HG ARG 42 2HG ARG 42 -8.977 -1.915 1.204 252 2HG ARG 42 1HG ARG 42 -7.611 -2.177 0.121 253 1HD ARG 42 2HD ARG 42 -9.205 -3.001 -1.597 254 2HD ARG 42 1HD ARG 42 -10.526 -2.567 -0.515 255 HE ARG 42 HE ARG 42 -8.769 -0.361 -0.994 256 1HH1 ARG 42 1HH1 ARG 42 -11.462 -2.157 -2.317 257 2HH1 ARG 42 2HH1 ARG 42 -12.003 -0.861 -3.335 258 1HH2 ARG 42 1HH2 ARG 42 -9.487 1.381 -2.327 259 2HH2 ARG 42 2HH2 ARG 42 -10.862 1.130 -3.368 260 H ASP 43 H ASP 43 -9.367 -5.740 2.993 261 HA ASP 43 HA ASP 43 -7.501 -7.975 3.334 262 1HB ASP 43 2HB ASP 43 -8.966 -8.861 4.931 263 2HB ASP 43 1HB ASP 43 -9.097 -7.127 5.188 264 H THR 44 H THR 44 -9.332 -10.088 3.275 265 HA THR 44 HA THR 44 -9.288 -10.619 0.479 266 HB THR 44 HB THR 44 -10.516 -12.752 1.198 267 HG1 THR 44 HG1 THR 44 -11.174 -11.634 3.271 268 1HG2 THR 44 1HG2 THR 44 -8.475 -13.705 2.168 269 2HG2 THR 44 2HG2 THR 44 -7.850 -12.080 2.445 270 3HG2 THR 44 3HG2 THR 44 -8.107 -12.657 0.797 271 H GLU 45 H GLU 45 -11.625 -9.207 2.533 272 HA GLU 45 HA GLU 45 -13.839 -9.869 0.749 273 1HB GLU 45 2HB GLU 45 -14.015 -9.811 3.312 274 2HB GLU 45 1HB GLU 45 -13.942 -8.069 3.162 275 1HG GLU 45 2HG GLU 45 -15.969 -7.993 1.950 276 2HG GLU 45 1HG GLU 45 -15.979 -9.742 1.730 277 H GLY 46 H GLY 46 -11.553 -7.394 1.382 278 1HA GLY 46 2HA GLY 46 -11.178 -5.670 -0.254 279 2HA GLY 46 1HA GLY 46 -12.905 -5.660 -0.576 280 H ARG 47 H ARG 47 -12.140 -5.923 2.713 281 HA ARG 47 HA ARG 47 -13.196 -3.321 3.292 282 1HB ARG 47 2HB ARG 47 -11.884 -5.323 5.147 283 2HB ARG 47 1HB ARG 47 -12.884 -3.963 5.613 284 1HG ARG 47 2HG ARG 47 -13.802 -6.381 4.081 285 2HG ARG 47 1HG ARG 47 -14.100 -6.054 5.790 286 1HD ARG 47 2HD ARG 47 -15.253 -3.935 5.051 287 2HD ARG 47 1HD ARG 47 -15.144 -4.556 3.404 288 HE ARG 47 HE ARG 47 -16.400 -6.558 4.374 289 1HH1 ARG 47 1HH1 ARG 47 -16.811 -3.264 5.533 290 2HH1 ARG 47 2HH1 ARG 47 -18.475 -3.512 5.995 291 1HH2 ARG 47 1HH2 ARG 47 -18.539 -6.874 4.971 292 2HH2 ARG 47 2HH2 ARG 47 -19.466 -5.569 5.651 293 H MET 48 H MET 48 -12.033 -1.499 3.423 294 HA MET 48 HA MET 48 -9.198 -1.492 3.208 295 1HB MET 48 2HB MET 48 -9.449 0.979 3.771 296 2HB MET 48 1HB MET 48 -10.249 0.413 2.319 297 1HG MET 48 2HG MET 48 -11.657 0.743 4.956 298 2HG MET 48 1HG MET 48 -11.549 2.022 3.748 299 1HE MET 48 1HE MET 48 -11.787 0.379 1.027 300 2HE MET 48 2HE MET 48 -12.656 1.881 1.340 301 3HE MET 48 3HE MET 48 -13.527 0.468 0.742 302 H VAL 49 H VAL 49 -7.994 -2.273 4.768 303 HA VAL 49 HA VAL 49 -8.811 -1.957 7.548 304 HB VAL 49 HB VAL 49 -6.455 -3.488 6.423 305 1HG1 VAL 49 1HG1 VAL 49 -7.780 -3.596 9.133 306 2HG1 VAL 49 2HG1 VAL 49 -6.186 -2.930 8.780 307 3HG1 VAL 49 3HG1 VAL 49 -6.484 -4.657 8.584 308 1HG2 VAL 49 1HG2 VAL 49 -8.525 -4.387 5.538 309 2HG2 VAL 49 2HG2 VAL 49 -9.207 -4.472 7.163 310 3HG2 VAL 49 3HG2 VAL 49 -7.835 -5.494 6.726 311 H TRP 50 H TRP 50 -6.374 -0.878 5.291 312 HA TRP 50 HA TRP 50 -5.445 1.128 7.156 313 1HB TRP 50 2HB TRP 50 -4.086 -0.753 7.879 314 2HB TRP 50 1HB TRP 50 -3.632 -1.116 6.219 315 HD1 TRP 50 HD1 TRP 50 -1.530 0.099 5.267 316 HE1 TRP 50 HE1 TRP 50 0.149 1.799 6.222 317 HE3 TRP 50 HE3 TRP 50 -3.996 1.346 9.570 318 HZ2 TRP 50 HZ2 TRP 50 0.398 3.446 8.500 319 HZ3 TRP 50 HZ3 TRP 50 -2.967 2.991 11.081 320 HH2 TRP 50 HH2 TRP 50 -0.814 4.020 10.556 321 H ARG 51 H ARG 51 -4.374 2.841 6.083 322 HA ARG 51 HA ARG 51 -3.552 2.400 3.328 323 1HB ARG 51 2HB ARG 51 -4.755 4.237 2.396 324 2HB ARG 51 1HB ARG 51 -5.919 3.219 3.221 325 1HG ARG 51 2HG ARG 51 -5.797 4.802 5.158 326 2HG ARG 51 1HG ARG 51 -4.803 5.857 4.153 327 1HD ARG 51 2HD ARG 51 -6.957 6.712 3.890 328 2HD ARG 51 1HD ARG 51 -6.732 5.706 2.457 329 HE ARG 51 HE ARG 51 -8.043 4.520 4.787 330 1HH1 ARG 51 1HH1 ARG 51 -8.322 5.807 1.536 331 2HH1 ARG 51 2HH1 ARG 51 -9.913 5.164 1.278 332 1HH2 ARG 51 1HH2 ARG 51 -10.138 3.714 4.475 333 2HH2 ARG 51 2HH2 ARG 51 -10.972 4.005 2.966 334 H ALA 52 H ALA 52 -1.898 3.726 2.671 335 HA ALA 52 HA ALA 52 -1.031 5.860 4.465 336 1HB ALA 52 1HB ALA 52 0.782 3.581 3.652 337 2HB ALA 52 2HB ALA 52 0.133 3.855 5.269 338 3HB ALA 52 3HB ALA 52 1.260 5.013 4.565 339 H TRP 53 H TRP 53 0.235 7.435 3.421 340 HA TRP 53 HA TRP 53 -0.066 7.495 0.564 341 1HB TRP 53 2HB TRP 53 1.240 9.468 2.443 342 2HB TRP 53 1HB TRP 53 0.895 9.743 0.756 343 HD1 TRP 53 HD1 TRP 53 -0.738 9.492 4.079 344 HE1 TRP 53 HE1 TRP 53 -3.085 10.520 3.939 345 HE3 TRP 53 HE3 TRP 53 -0.982 10.190 -0.944 346 HZ2 TRP 53 HZ2 TRP 53 -4.827 11.516 1.937 347 HZ3 TRP 53 HZ3 TRP 53 -3.007 11.188 -1.914 348 HH2 TRP 53 HH2 TRP 53 -4.892 11.836 -0.499 349 H ASN 54 H ASN 54 2.039 8.841 -0.267 350 HA ASN 54 HA ASN 54 4.100 6.753 -0.277 351 1HB ASN 54 2HB ASN 54 3.062 7.388 -2.440 352 2HB ASN 54 1HB ASN 54 3.643 9.033 -2.220 353 1HD2 ASN 54 1HD2 ASN 54 5.782 9.495 -2.585 354 2HD2 ASN 54 2HD2 ASN 54 6.878 8.377 -3.313 355 H PHE 55 H PHE 55 3.486 9.872 0.875 356 HA PHE 55 HA PHE 55 6.336 10.531 1.036 357 1HB PHE 55 2HB PHE 55 5.570 12.837 1.555 358 2HB PHE 55 1HB PHE 55 5.020 12.261 -0.013 359 HD1 PHE 55 HD1 PHE 55 2.694 11.925 -0.469 360 HD2 PHE 55 HD2 PHE 55 3.991 13.113 3.408 361 HE1 PHE 55 HE1 PHE 55 0.380 12.516 0.123 362 HE2 PHE 55 HE2 PHE 55 1.678 13.698 4.008 363 HZ PHE 55 HZ PHE 55 -0.131 13.404 2.361 364 H GLU 56 H GLU 56 4.205 8.935 2.856 365 HA GLU 56 HA GLU 56 4.341 10.144 5.386 366 1HB GLU 56 2HB GLU 56 3.967 7.280 4.536 367 2HB GLU 56 1HB GLU 56 3.960 7.760 6.225 368 1HG GLU 56 2HG GLU 56 2.105 8.872 4.135 369 2HG GLU 56 1HG GLU 56 1.706 7.543 5.223 370 HA PRO 57 HA PRO 57 8.561 10.190 6.570 371 1HB PRO 57 2HB PRO 57 7.381 9.125 9.111 372 2HB PRO 57 1HB PRO 57 8.577 10.407 8.882 373 1HG PRO 57 2HG PRO 57 6.033 11.011 9.342 374 2HG PRO 57 1HG PRO 57 6.991 11.947 8.179 375 1HD PRO 57 2HD PRO 57 4.822 9.986 7.694 376 2HD PRO 57 1HD PRO 57 5.346 11.360 6.702 377 H ASP 58 H ASP 58 6.789 7.373 7.872 378 HA ASP 58 HA ASP 58 8.722 5.694 6.485 379 1HB ASP 58 2HB ASP 58 9.235 5.960 9.040 380 2HB ASP 58 1HB ASP 58 7.877 4.853 9.232 381 H ALA 59 H ALA 59 6.765 5.839 5.117 382 HA ALA 59 HA ALA 59 4.303 4.714 5.753 383 1HB ALA 59 1HB ALA 59 4.797 5.933 3.672 384 2HB ALA 59 2HB ALA 59 3.986 4.397 3.377 385 3HB ALA 59 3HB ALA 59 5.722 4.547 3.099 386 H GLY 60 H GLY 60 7.313 3.199 4.806 387 1HA GLY 60 2HA GLY 60 6.431 0.592 4.337 388 2HA GLY 60 1HA GLY 60 8.035 1.035 4.903 389 H GLU 61 H GLU 61 7.366 2.160 7.376 390 HA GLU 61 HA GLU 61 7.374 -0.138 8.965 391 1HB GLU 61 2HB GLU 61 8.259 2.151 9.536 392 2HB GLU 61 1HB GLU 61 6.607 2.644 9.862 393 1HG GLU 61 2HG GLU 61 7.667 0.257 11.275 394 2HG GLU 61 1HG GLU 61 8.236 1.850 11.768 395 H GLY 62 H GLY 62 4.697 1.987 8.055 396 1HA GLY 62 2HA GLY 62 2.809 0.731 9.824 397 2HA GLY 62 1HA GLY 62 2.445 1.901 8.562 398 H LEU 63 H LEU 63 3.534 0.556 6.361 399 HA LEU 63 HA LEU 63 1.461 -1.270 5.730 400 1HB LEU 63 2HB LEU 63 4.113 -0.785 4.366 401 2HB LEU 63 1HB LEU 63 2.776 -1.689 3.677 402 HG LEU 63 HG LEU 63 2.617 1.225 4.451 403 1HD1 LEU 63 1HD1 LEU 63 4.217 0.992 2.675 404 2HD1 LEU 63 2HD1 LEU 63 2.718 1.663 2.030 405 3HD1 LEU 63 3HD1 LEU 63 3.112 -0.037 1.765 406 1HD2 LEU 63 1HD2 LEU 63 0.787 -0.533 2.824 407 2HD2 LEU 63 2HD2 LEU 63 0.595 1.204 3.065 408 3HD2 LEU 63 3HD2 LEU 63 0.465 0.103 4.437 409 H ASN 64 H ASN 64 4.846 -1.676 6.690 410 HA ASN 64 HA ASN 64 4.893 -4.491 6.505 411 1HB ASN 64 2HB ASN 64 6.563 -2.548 8.093 412 2HB ASN 64 1HB ASN 64 6.829 -4.285 8.168 413 1HD2 ASN 64 1HD2 ASN 64 8.575 -2.152 7.209 414 2HD2 ASN 64 2HD2 ASN 64 8.972 -2.552 5.578 415 H ARG 65 H ARG 65 3.713 -2.311 8.974 416 HA ARG 65 HA ARG 65 3.314 -4.098 11.080 417 1HB ARG 65 2HB ARG 65 1.670 -1.766 10.091 418 2HB ARG 65 1HB ARG 65 1.249 -2.665 11.532 419 1HG ARG 65 2HG ARG 65 3.384 -2.011 12.543 420 2HG ARG 65 1HG ARG 65 3.761 -1.078 11.086 421 1HD ARG 65 2HD ARG 65 1.497 0.074 11.497 422 2HD ARG 65 1HD ARG 65 1.594 -0.616 13.116 423 HE ARG 65 HE ARG 65 3.997 0.737 12.525 424 1HH1 ARG 65 1HH1 ARG 65 0.639 1.341 13.340 425 2HH1 ARG 65 2HH1 ARG 65 0.933 2.955 13.909 426 1HH2 ARG 65 1HH2 ARG 65 4.389 2.848 13.257 427 2HH2 ARG 65 2HH2 ARG 65 3.077 3.804 13.892 428 H TYR 66 H TYR 66 1.233 -3.301 8.315 429 HA TYR 66 HA TYR 66 -0.741 -5.243 8.968 430 1HB TYR 66 2HB TYR 66 -1.181 -3.264 7.517 431 2HB TYR 66 1HB TYR 66 -0.186 -4.002 6.265 432 HD1 TYR 66 HD1 TYR 66 -3.442 -3.848 7.755 433 HD2 TYR 66 HD2 TYR 66 -0.925 -6.225 5.291 434 HE1 TYR 66 HE1 TYR 66 -5.410 -5.083 6.948 435 HE2 TYR 66 HE2 TYR 66 -2.888 -7.469 4.471 436 HH TYR 66 HH TYR 66 -6.056 -6.413 4.945 437 H ILE 67 H ILE 67 1.936 -5.193 6.640 438 HA ILE 67 HA ILE 67 1.483 -7.670 5.450 439 HB ILE 67 HB ILE 67 4.150 -6.332 5.944 440 1HG1 ILE 67 2HG1 ILE 67 2.435 -6.269 3.455 441 2HG1 ILE 67 1HG1 ILE 67 2.415 -5.000 4.677 442 1HG2 ILE 67 1HG2 ILE 67 4.429 -8.679 5.388 443 2HG2 ILE 67 2HG2 ILE 67 4.927 -7.669 4.031 444 3HG2 ILE 67 3HG2 ILE 67 3.369 -8.496 3.989 445 1HD1 ILE 67 1HD1 ILE 67 3.828 -4.429 2.766 446 2HD1 ILE 67 2HD1 ILE 67 4.829 -5.847 3.086 447 3HD1 ILE 67 3HD1 ILE 67 4.755 -4.533 4.264 448 H ARG 68 H ARG 68 3.817 -6.939 8.075 449 HA ARG 68 HA ARG 68 4.686 -8.228 9.743 450 1HB ARG 68 2HB ARG 68 1.891 -8.976 9.449 451 2HB ARG 68 1HB ARG 68 2.867 -10.239 10.181 452 1HG ARG 68 2HG ARG 68 3.516 -8.815 11.964 453 2HG ARG 68 1HG ARG 68 2.829 -7.399 11.163 454 1HD ARG 68 2HD ARG 68 1.184 -9.779 11.991 455 2HD ARG 68 1HD ARG 68 1.463 -8.393 13.045 456 HE ARG 68 HE ARG 68 0.473 -7.091 11.046 457 1HH1 ARG 68 1HH1 ARG 68 -0.501 -10.311 12.007 458 2HH1 ARG 68 2HH1 ARG 68 -2.157 -10.092 11.512 459 1HH2 ARG 68 1HH2 ARG 68 -1.711 -6.796 10.415 460 2HH2 ARG 68 2HH2 ARG 68 -2.834 -8.107 10.608 461 H THR 69 H THR 69 5.140 -8.874 6.999 462 HA THR 69 HA THR 69 6.027 -10.348 5.565 463 HB THR 69 HB THR 69 7.843 -10.289 7.258 464 HG1 THR 69 HG1 THR 69 7.494 -12.801 5.952 465 1HG2 THR 69 1HG2 THR 69 6.683 -12.913 8.205 466 2HG2 THR 69 2HG2 THR 69 6.698 -11.409 9.123 467 3HG2 THR 69 3HG2 THR 69 8.219 -12.209 8.720 468 H SER 70 H SER 70 3.357 -10.979 6.794 469 HA SER 70 HA SER 70 3.245 -13.792 5.952 470 1HB SER 70 2HB SER 70 2.259 -13.196 8.200 471 2HB SER 70 1HB SER 70 1.081 -12.198 7.347 472 HG SER 70 HG SER 70 -0.018 -13.923 6.916 473 H GLY 71 H GLY 71 1.145 -10.941 5.803 474 1HA GLY 71 2HA GLY 71 0.262 -9.825 3.997 475 2HA GLY 71 1HA GLY 71 1.250 -10.827 2.945 476 H ILE 72 H ILE 72 -1.265 -10.157 2.187 477 HA ILE 72 HA ILE 72 -3.068 -12.314 2.883 478 HB ILE 72 HB ILE 72 -3.381 -9.978 0.989 479 1HG1 ILE 72 2HG1 ILE 72 -3.214 -9.253 3.281 480 2HG1 ILE 72 1HG1 ILE 72 -4.898 -9.131 2.786 481 1HG2 ILE 72 1HG2 ILE 72 -5.775 -10.492 0.979 482 2HG2 ILE 72 2HG2 ILE 72 -5.462 -11.957 1.910 483 3HG2 ILE 72 3HG2 ILE 72 -4.819 -11.795 0.274 484 1HD1 ILE 72 1HD1 ILE 72 -4.729 -10.009 5.030 485 2HD1 ILE 72 2HD1 ILE 72 -3.685 -11.315 4.469 486 3HD1 ILE 72 3HD1 ILE 72 -5.370 -11.244 3.947 487 H ARG 73 H ARG 73 -0.599 -11.852 0.651 488 HA ARG 73 HA ARG 73 -1.473 -12.871 -1.746 489 1HB ARG 73 2HB ARG 73 0.730 -12.102 -1.719 490 2HB ARG 73 1HB ARG 73 1.179 -13.109 -0.354 491 1HG ARG 73 2HG ARG 73 1.244 -15.053 -1.673 492 2HG ARG 73 1HG ARG 73 0.393 -14.275 -2.998 493 1HD ARG 73 2HD ARG 73 3.042 -13.216 -2.131 494 2HD ARG 73 1HD ARG 73 2.978 -14.679 -3.111 495 HE ARG 73 HE ARG 73 1.795 -12.108 -3.966 496 1HH1 ARG 73 1HH1 ARG 73 3.529 -15.075 -4.645 497 2HH1 ARG 73 2HH1 ARG 73 3.802 -14.686 -6.312 498 1HH2 ARG 73 1HH2 ARG 73 2.156 -11.607 -6.191 499 2HH2 ARG 73 2HH2 ARG 73 3.031 -12.739 -7.184 500 H THR 74 H THR 74 0.385 -14.918 0.496 501 HA THR 74 HA THR 74 -0.779 -17.295 -0.670 502 HB THR 74 HB THR 74 1.041 -17.297 1.725 503 HG1 THR 74 HG1 THR 74 2.225 -15.990 0.444 504 1HG2 THR 74 1HG2 THR 74 0.850 -19.079 -0.711 505 2HG2 THR 74 2HG2 THR 74 0.160 -19.434 0.871 506 3HG2 THR 74 3HG2 THR 74 1.909 -19.327 0.678 507 H ASP 75 H ASP 75 -1.870 -15.146 1.436 508 HA ASP 75 HA ASP 75 -2.762 -16.875 3.585 509 1HB ASP 75 2HB ASP 75 -2.269 -14.480 3.975 510 2HB ASP 75 1HB ASP 75 -3.608 -14.046 2.919 Start of MODEL 5 1 H GLY 10 H GLY 10 11.113 2.153 5.656 2 1HA GLY 10 2HA GLY 10 9.514 3.692 6.219 3 2HA GLY 10 1HA GLY 10 10.677 4.923 5.754 4 HA PRO 11 HA PRO 11 7.665 5.962 2.622 5 1HB PRO 11 2HB PRO 11 9.851 7.571 1.482 6 2HB PRO 11 1HB PRO 11 8.269 8.086 2.073 7 1HG PRO 11 2HG PRO 11 10.532 8.632 3.421 8 2HG PRO 11 1HG PRO 11 9.003 8.294 4.250 9 1HD PRO 11 2HD PRO 11 11.363 6.505 3.824 10 2HD PRO 11 1HD PRO 11 10.328 6.689 5.257 11 H PHE 12 H PHE 12 7.367 5.596 0.403 12 HA PHE 12 HA PHE 12 9.435 3.883 -0.806 13 1HB PHE 12 2HB PHE 12 7.558 2.625 -1.885 14 2HB PHE 12 1HB PHE 12 7.643 2.449 -0.140 15 HD1 PHE 12 HD1 PHE 12 5.589 3.330 -2.926 16 HD2 PHE 12 HD2 PHE 12 6.047 3.841 1.273 17 HE1 PHE 12 HE1 PHE 12 3.213 3.958 -2.737 18 HE2 PHE 12 HE2 PHE 12 3.680 4.467 1.460 19 HZ PHE 12 HZ PHE 12 2.264 4.533 -0.546 20 H THR 13 H THR 13 8.444 3.502 -3.259 21 HA THR 13 HA THR 13 8.115 6.195 -4.397 22 HB THR 13 HB THR 13 9.521 5.564 -6.271 23 HG1 THR 13 HG1 THR 13 10.672 3.325 -5.550 24 1HG2 THR 13 1HG2 THR 13 10.680 6.471 -4.325 25 2HG2 THR 13 2HG2 THR 13 11.684 5.269 -5.138 26 3HG2 THR 13 3HG2 THR 13 10.831 4.848 -3.651 27 H ARG 14 H ARG 14 7.275 6.039 -6.707 28 HA ARG 14 HA ARG 14 4.865 4.664 -6.921 29 1HB ARG 14 2HB ARG 14 5.714 6.578 -8.349 30 2HB ARG 14 1HB ARG 14 6.660 5.399 -9.232 31 1HG ARG 14 2HG ARG 14 4.688 4.275 -9.986 32 2HG ARG 14 1HG ARG 14 3.666 5.301 -8.976 33 1HD ARG 14 2HD ARG 14 4.276 7.247 -10.268 34 2HD ARG 14 1HD ARG 14 5.424 6.297 -11.213 35 HE ARG 14 HE ARG 14 3.223 4.980 -11.776 36 1HH1 ARG 14 1HH1 ARG 14 3.611 8.444 -11.506 37 2HH1 ARG 14 2HH1 ARG 14 2.395 8.805 -12.691 38 1HH2 ARG 14 1HH2 ARG 14 1.634 5.434 -13.325 39 2HH2 ARG 14 2HH2 ARG 14 1.249 7.086 -13.716 40 H ARG 15 H ARG 15 8.051 3.855 -8.133 41 HA ARG 15 HA ARG 15 7.386 1.428 -9.386 42 1HB ARG 15 2HB ARG 15 9.791 2.905 -8.755 43 2HB ARG 15 1HB ARG 15 10.033 1.176 -8.537 44 1HG ARG 15 2HG ARG 15 8.915 2.434 -11.029 45 2HG ARG 15 1HG ARG 15 10.607 1.982 -10.801 46 1HD ARG 15 2HD ARG 15 9.977 -0.337 -10.494 47 2HD ARG 15 1HD ARG 15 8.268 0.085 -10.602 48 HE ARG 15 HE ARG 15 8.567 0.543 -12.925 49 1HH1 ARG 15 1HH1 ARG 15 11.365 -0.872 -11.354 50 2HH1 ARG 15 2HH1 ARG 15 12.059 -1.466 -12.837 51 1HH2 ARG 15 1HH2 ARG 15 9.471 -0.260 -14.878 52 2HH2 ARG 15 2HH2 ARG 15 10.986 -1.111 -14.828 53 H GLN 16 H GLN 16 8.778 2.025 -6.147 54 HA GLN 16 HA GLN 16 8.900 -0.654 -5.339 55 1HB GLN 16 2HB GLN 16 8.927 1.965 -3.988 56 2HB GLN 16 1HB GLN 16 8.413 0.616 -2.990 57 1HG GLN 16 2HG GLN 16 10.804 1.071 -2.784 58 2HG GLN 16 1HG GLN 16 10.485 -0.539 -3.423 59 1HE2 GLN 16 1HE2 GLN 16 11.135 -1.059 -5.461 60 2HE2 GLN 16 2HE2 GLN 16 12.138 -0.026 -6.430 61 H ALA 17 H ALA 17 6.310 1.746 -4.971 62 HA ALA 17 HA ALA 17 4.470 0.283 -3.508 63 1HB ALA 17 1HB ALA 17 4.153 2.627 -4.110 64 2HB ALA 17 2HB ALA 17 2.742 1.663 -4.546 65 3HB ALA 17 3HB ALA 17 3.885 2.168 -5.790 66 H GLN 18 H GLN 18 4.885 0.323 -7.038 67 HA GLN 18 HA GLN 18 2.802 -1.365 -7.741 68 1HB GLN 18 2HB GLN 18 5.504 -0.969 -9.027 69 2HB GLN 18 1HB GLN 18 4.167 -1.816 -9.780 70 1HG GLN 18 2HG GLN 18 2.821 0.203 -9.707 71 2HG GLN 18 1HG GLN 18 4.143 1.060 -8.917 72 1HE2 GLN 18 1HE2 GLN 18 2.773 1.546 -11.460 73 2HE2 GLN 18 2HE2 GLN 18 4.022 1.575 -12.660 74 H ALA 19 H ALA 19 6.139 -2.143 -6.886 75 HA ALA 19 HA ALA 19 6.075 -4.871 -7.510 76 1HB ALA 19 1HB ALA 19 8.084 -5.055 -6.145 77 2HB ALA 19 2HB ALA 19 7.759 -3.474 -5.435 78 3HB ALA 19 3HB ALA 19 8.139 -3.607 -7.151 79 H VAL 20 H VAL 20 4.796 -3.176 -4.725 80 HA VAL 20 HA VAL 20 4.951 -5.589 -3.071 81 HB VAL 20 HB VAL 20 3.693 -2.959 -2.268 82 1HG1 VAL 20 1HG1 VAL 20 4.973 -5.166 -0.649 83 2HG1 VAL 20 2HG1 VAL 20 3.241 -4.905 -0.846 84 3HG1 VAL 20 3HG1 VAL 20 4.222 -3.706 -0.007 85 1HG2 VAL 20 1HG2 VAL 20 5.843 -2.319 -1.272 86 2HG2 VAL 20 2HG2 VAL 20 5.962 -2.474 -3.025 87 3HG2 VAL 20 3HG2 VAL 20 6.594 -3.748 -1.982 88 H THR 21 H THR 21 2.938 -3.736 -5.029 89 HA THR 21 HA THR 21 0.442 -4.803 -4.038 90 HB THR 21 HB THR 21 0.906 -3.117 -6.502 91 HG1 THR 21 HG1 THR 21 1.790 -1.944 -4.803 92 1HG2 THR 21 1HG2 THR 21 -1.419 -3.402 -4.630 93 2HG2 THR 21 2HG2 THR 21 -1.285 -4.168 -6.211 94 3HG2 THR 21 3HG2 THR 21 -1.364 -2.410 -6.085 95 H THR 22 H THR 22 2.642 -5.256 -6.788 96 HA THR 22 HA THR 22 0.995 -7.155 -8.112 97 HB THR 22 HB THR 22 3.220 -7.985 -9.068 98 HG1 THR 22 HG1 THR 22 4.697 -7.293 -7.581 99 1HG2 THR 22 1HG2 THR 22 3.479 -6.020 -10.510 100 2HG2 THR 22 2HG2 THR 22 2.521 -5.062 -9.381 101 3HG2 THR 22 3HG2 THR 22 1.776 -6.404 -10.252 102 H THR 23 H THR 23 3.203 -7.250 -5.419 103 HA THR 23 HA THR 23 3.093 -10.094 -5.107 104 HB THR 23 HB THR 23 3.781 -8.037 -3.000 105 HG1 THR 23 HG1 THR 23 5.174 -7.674 -4.706 106 1HG2 THR 23 1HG2 THR 23 4.574 -10.934 -3.336 107 2HG2 THR 23 2HG2 THR 23 3.424 -10.308 -2.154 108 3HG2 THR 23 3HG2 THR 23 5.125 -9.856 -2.057 109 H TYR 24 H TYR 24 1.577 -7.392 -3.227 110 HA TYR 24 HA TYR 24 -0.442 -9.338 -2.353 111 1HB TYR 24 2HB TYR 24 0.364 -6.715 -1.077 112 2HB TYR 24 1HB TYR 24 -0.830 -7.835 -0.447 113 HD1 TYR 24 HD1 TYR 24 -0.136 -9.948 0.557 114 HD2 TYR 24 HD2 TYR 24 2.730 -7.162 -0.896 115 HE1 TYR 24 HE1 TYR 24 1.638 -11.148 1.762 116 HE2 TYR 24 HE2 TYR 24 4.513 -8.355 0.302 117 HH TYR 24 HH TYR 24 4.645 -9.906 2.349 118 H SER 25 H SER 25 -2.034 -9.217 -3.767 119 HA SER 25 HA SER 25 -2.796 -6.895 -5.176 120 1HB SER 25 2HB SER 25 -4.793 -8.408 -5.780 121 2HB SER 25 1HB SER 25 -3.182 -8.927 -6.276 122 HG SER 25 HG SER 25 -4.632 -10.514 -5.171 123 H ASN 26 H ASN 26 -3.367 -7.736 -1.995 124 HA ASN 26 HA ASN 26 -5.991 -6.558 -1.808 125 1HB ASN 26 2HB ASN 26 -5.750 -6.743 0.603 126 2HB ASN 26 1HB ASN 26 -5.281 -8.257 -0.158 127 1HD2 ASN 26 1HD2 ASN 26 -4.613 -6.930 2.436 128 2HD2 ASN 26 2HD2 ASN 26 -2.882 -6.968 2.501 129 H ILE 27 H ILE 27 -2.766 -5.474 -1.974 130 HA ILE 27 HA ILE 27 -3.221 -2.894 -0.784 131 HB ILE 27 HB ILE 27 -1.099 -3.421 -2.845 132 1HG1 ILE 27 2HG1 ILE 27 -1.102 -4.413 0.002 133 2HG1 ILE 27 1HG1 ILE 27 -0.775 -5.310 -1.459 134 1HG2 ILE 27 1HG2 ILE 27 -1.379 -1.150 -2.018 135 2HG2 ILE 27 2HG2 ILE 27 0.170 -1.817 -1.500 136 3HG2 ILE 27 3HG2 ILE 27 -1.171 -1.714 -0.360 137 1HD1 ILE 27 1HD1 ILE 27 1.251 -4.919 -0.209 138 2HD1 ILE 27 2HD1 ILE 27 0.974 -3.179 -0.271 139 3HD1 ILE 27 3HD1 ILE 27 1.302 -4.072 -1.754 140 H THR 28 H THR 28 -3.581 -0.935 -1.946 141 HA THR 28 HA THR 28 -4.267 -1.215 -4.774 142 HB THR 28 HB THR 28 -6.381 0.236 -4.208 143 HG1 THR 28 HG1 THR 28 -5.662 -0.917 -1.743 144 1HG2 THR 28 1HG2 THR 28 -7.745 -1.796 -4.076 145 2HG2 THR 28 2HG2 THR 28 -6.306 -2.739 -3.695 146 3HG2 THR 28 3HG2 THR 28 -6.458 -1.963 -5.271 147 H LEU 29 H LEU 29 -3.416 0.374 -5.876 148 HA LEU 29 HA LEU 29 -2.356 2.685 -4.529 149 1HB LEU 29 2HB LEU 29 -1.275 1.411 -6.471 150 2HB LEU 29 1HB LEU 29 -2.444 2.212 -7.502 151 HG LEU 29 HG LEU 29 -0.596 3.799 -5.738 152 1HD1 LEU 29 1HD1 LEU 29 -0.041 2.835 -8.537 153 2HD1 LEU 29 2HD1 LEU 29 0.784 2.297 -7.075 154 3HD1 LEU 29 3HD1 LEU 29 0.942 3.970 -7.613 155 1HD2 LEU 29 1HD2 LEU 29 -2.486 4.978 -6.740 156 2HD2 LEU 29 2HD2 LEU 29 -2.002 4.410 -8.339 157 3HD2 LEU 29 3HD2 LEU 29 -0.958 5.514 -7.442 158 H GLU 30 H GLU 30 -3.886 4.045 -3.861 159 HA GLU 30 HA GLU 30 -5.907 4.924 -5.815 160 1HB GLU 30 2HB GLU 30 -6.151 4.495 -2.845 161 2HB GLU 30 1HB GLU 30 -7.297 5.479 -3.746 162 1HG GLU 30 2HG GLU 30 -6.708 2.563 -4.214 163 2HG GLU 30 1HG GLU 30 -8.142 3.230 -3.434 164 H ASP 31 H ASP 31 -6.810 7.113 -5.239 165 HA ASP 31 HA ASP 31 -6.438 9.340 -5.269 166 1HB ASP 31 2HB ASP 31 -5.247 8.382 -2.818 167 2HB ASP 31 1HB ASP 31 -4.381 9.795 -3.422 168 H ASP 32 H ASP 32 -5.032 7.734 -7.090 169 HA ASP 32 HA ASP 32 -2.310 8.439 -7.278 170 1HB ASP 32 2HB ASP 32 -2.555 7.562 -9.635 171 2HB ASP 32 1HB ASP 32 -2.977 6.439 -8.354 172 H GLN 33 H GLN 33 -1.897 10.539 -7.260 173 HA GLN 33 HA GLN 33 -3.088 12.238 -9.346 174 1HB GLN 33 2HB GLN 33 -3.122 12.942 -6.907 175 2HB GLN 33 1HB GLN 33 -1.373 13.076 -6.993 176 1HG GLN 33 2HG GLN 33 -1.648 14.757 -8.796 177 2HG GLN 33 1HG GLN 33 -3.390 14.676 -8.543 178 1HE2 GLN 33 1HE2 GLN 33 -4.275 15.493 -6.612 179 2HE2 GLN 33 2HE2 GLN 33 -3.382 16.587 -5.602 180 H GLY 34 H GLY 34 -0.748 10.144 -9.212 181 1HA GLY 34 2HA GLY 34 0.842 10.274 -11.143 182 2HA GLY 34 1HA GLY 34 1.305 11.841 -10.490 183 H SER 35 H SER 35 2.697 11.958 -8.777 184 HA SER 35 HA SER 35 3.819 9.410 -7.839 185 1HB SER 35 2HB SER 35 5.393 11.135 -8.757 186 2HB SER 35 1HB SER 35 4.916 12.207 -7.441 187 HG SER 35 HG SER 35 5.565 10.264 -6.083 188 H HIS 36 H HIS 36 1.742 11.929 -7.007 189 HA HIS 36 HA HIS 36 1.903 11.379 -4.140 190 1HB HIS 36 2HB HIS 36 0.253 13.346 -5.740 191 2HB HIS 36 1HB HIS 36 0.047 13.101 -4.011 192 HD1 HIS 36 HD1 HIS 36 1.028 15.076 -2.887 193 HD2 HIS 36 HD2 HIS 36 3.386 13.757 -6.054 194 HE1 HIS 36 HE1 HIS 36 3.076 16.542 -2.877 195 HE2 HIS 36 HE2 HIS 36 4.410 15.819 -4.889 196 H PHE 37 H PHE 37 0.885 9.617 -3.480 197 HA PHE 37 HA PHE 37 -1.881 9.179 -4.027 198 1HB PHE 37 2HB PHE 37 -1.608 6.926 -5.036 199 2HB PHE 37 1HB PHE 37 -0.995 8.201 -6.081 200 HD1 PHE 37 HD1 PHE 37 1.319 8.336 -6.645 201 HD2 PHE 37 HD2 PHE 37 -0.057 5.416 -3.871 202 HE1 PHE 37 HE1 PHE 37 3.479 7.168 -6.809 203 HE2 PHE 37 HE2 PHE 37 2.099 4.247 -4.025 204 HZ PHE 37 HZ PHE 37 3.871 5.121 -5.496 205 H ARG 38 H ARG 38 -2.585 7.053 -2.928 206 HA ARG 38 HA ARG 38 -0.690 6.336 -0.785 207 1HB ARG 38 2HB ARG 38 -2.445 6.271 0.868 208 2HB ARG 38 1HB ARG 38 -2.429 7.863 0.129 209 1HG ARG 38 2HG ARG 38 -4.379 7.361 -1.160 210 2HG ARG 38 1HG ARG 38 -4.334 5.670 -0.654 211 1HD ARG 38 2HD ARG 38 -4.731 6.342 1.658 212 2HD ARG 38 1HD ARG 38 -4.754 8.032 1.173 213 HE ARG 38 HE ARG 38 -6.777 6.025 0.421 214 1HH1 ARG 38 1HH1 ARG 38 -5.813 9.345 0.977 215 2HH1 ARG 38 2HH1 ARG 38 -7.403 9.985 0.714 216 1HH2 ARG 38 1HH2 ARG 38 -8.871 6.868 0.096 217 2HH2 ARG 38 2HH2 ARG 38 -9.132 8.584 0.198 218 H LEU 39 H LEU 39 -0.677 4.237 -0.152 219 HA LEU 39 HA LEU 39 -2.117 2.397 -1.904 220 1HB LEU 39 2HB LEU 39 0.103 1.888 0.068 221 2HB LEU 39 1HB LEU 39 -0.639 0.672 -0.937 222 HG LEU 39 HG LEU 39 0.857 3.050 -1.995 223 1HD1 LEU 39 1HD1 LEU 39 1.696 0.176 -1.658 224 2HD1 LEU 39 2HD1 LEU 39 2.360 1.576 -0.813 225 3HD1 LEU 39 3HD1 LEU 39 2.599 1.400 -2.551 226 1HD2 LEU 39 1HD2 LEU 39 -0.211 0.576 -3.348 227 2HD2 LEU 39 2HD2 LEU 39 0.776 1.820 -4.114 228 3HD2 LEU 39 3HD2 LEU 39 -0.839 2.214 -3.526 229 H VAL 40 H VAL 40 -3.942 1.656 -1.262 230 HA VAL 40 HA VAL 40 -4.633 1.654 1.572 231 HB VAL 40 HB VAL 40 -6.376 0.909 -0.783 232 1HG1 VAL 40 1HG1 VAL 40 -7.060 1.644 2.059 233 2HG1 VAL 40 2HG1 VAL 40 -7.144 0.030 1.351 234 3HG1 VAL 40 3HG1 VAL 40 -8.219 1.304 0.772 235 1HG2 VAL 40 1HG2 VAL 40 -5.599 3.213 -0.998 236 2HG2 VAL 40 2HG2 VAL 40 -6.152 3.557 0.641 237 3HG2 VAL 40 3HG2 VAL 40 -7.320 3.152 -0.617 238 H VAL 41 H VAL 41 -4.327 -0.115 2.754 239 HA VAL 41 HA VAL 41 -3.950 -2.676 1.405 240 HB VAL 41 HB VAL 41 -3.742 -2.236 4.379 241 1HG1 VAL 41 1HG1 VAL 41 -2.451 -4.207 2.503 242 2HG1 VAL 41 2HG1 VAL 41 -3.823 -4.529 3.564 243 3HG1 VAL 41 3HG1 VAL 41 -2.245 -4.151 4.253 244 1HG2 VAL 41 1HG2 VAL 41 -1.548 -1.832 2.345 245 2HG2 VAL 41 2HG2 VAL 41 -1.334 -1.865 4.097 246 3HG2 VAL 41 3HG2 VAL 41 -2.284 -0.579 3.345 247 H ARG 42 H ARG 42 -5.642 -3.931 1.104 248 HA ARG 42 HA ARG 42 -8.012 -3.597 2.794 249 1HB ARG 42 2HB ARG 42 -7.676 -5.072 0.175 250 2HB ARG 42 1HB ARG 42 -9.196 -4.800 1.020 251 1HG ARG 42 2HG ARG 42 -9.044 -2.432 0.651 252 2HG ARG 42 1HG ARG 42 -7.429 -2.603 -0.041 253 1HD ARG 42 2HD ARG 42 -9.988 -3.726 -1.173 254 2HD ARG 42 1HD ARG 42 -9.099 -2.333 -1.789 255 HE ARG 42 HE ARG 42 -7.219 -4.157 -1.982 256 1HH1 ARG 42 1HH1 ARG 42 -10.621 -4.425 -2.770 257 2HH1 ARG 42 2HH1 ARG 42 -10.380 -5.682 -3.949 258 1HH2 ARG 42 1HH2 ARG 42 -6.895 -5.786 -3.580 259 2HH2 ARG 42 2HH2 ARG 42 -8.268 -6.433 -4.424 260 H ASP 43 H ASP 43 -9.243 -5.646 3.252 261 HA ASP 43 HA ASP 43 -7.355 -7.673 4.223 262 1HB ASP 43 2HB ASP 43 -8.992 -8.286 5.838 263 2HB ASP 43 1HB ASP 43 -8.990 -6.528 5.801 264 H THR 44 H THR 44 -9.075 -9.804 4.525 265 HA THR 44 HA THR 44 -8.992 -10.986 1.969 266 HB THR 44 HB THR 44 -10.785 -12.412 3.671 267 HG1 THR 44 HG1 THR 44 -8.470 -12.181 5.143 268 1HG2 THR 44 1HG2 THR 44 -7.865 -12.843 3.030 269 2HG2 THR 44 2HG2 THR 44 -9.227 -13.406 2.064 270 3HG2 THR 44 3HG2 THR 44 -8.967 -14.055 3.683 271 H GLU 45 H GLU 45 -11.352 -9.009 3.465 272 HA GLU 45 HA GLU 45 -13.569 -10.063 1.901 273 1HB GLU 45 2HB GLU 45 -13.781 -9.262 4.305 274 2HB GLU 45 1HB GLU 45 -13.524 -7.633 3.699 275 1HG GLU 45 2HG GLU 45 -15.855 -7.918 3.960 276 2HG GLU 45 1HG GLU 45 -15.528 -7.970 2.229 277 H GLY 46 H GLY 46 -11.261 -7.490 1.963 278 1HA GLY 46 2HA GLY 46 -10.655 -6.318 -0.029 279 2HA GLY 46 1HA GLY 46 -12.302 -6.521 -0.608 280 H ARG 47 H ARG 47 -12.037 -5.625 2.680 281 HA ARG 47 HA ARG 47 -12.986 -2.950 2.021 282 1HB ARG 47 2HB ARG 47 -13.509 -2.846 4.449 283 2HB ARG 47 1HB ARG 47 -14.324 -4.159 3.623 284 1HG ARG 47 2HG ARG 47 -12.549 -5.681 4.444 285 2HG ARG 47 1HG ARG 47 -11.893 -4.340 5.379 286 1HD ARG 47 2HD ARG 47 -13.836 -4.218 6.731 287 2HD ARG 47 1HD ARG 47 -14.730 -5.295 5.658 288 HE ARG 47 HE ARG 47 -12.687 -6.863 6.408 289 1HH1 ARG 47 1HH1 ARG 47 -14.812 -4.826 8.314 290 2HH1 ARG 47 2HH1 ARG 47 -14.792 -5.870 9.699 291 1HH2 ARG 47 1HH2 ARG 47 -12.649 -8.232 8.212 292 2HH2 ARG 47 2HH2 ARG 47 -13.543 -7.826 9.645 293 H MET 48 H MET 48 -12.068 -1.080 3.030 294 HA MET 48 HA MET 48 -9.201 -1.147 2.989 295 1HB MET 48 2HB MET 48 -10.998 1.118 3.867 296 2HB MET 48 1HB MET 48 -9.306 1.241 3.419 297 1HG MET 48 2HG MET 48 -9.927 0.488 1.129 298 2HG MET 48 1HG MET 48 -11.620 0.587 1.615 299 1HE MET 48 1HE MET 48 -12.124 2.267 -0.412 300 2HE MET 48 2HE MET 48 -10.437 2.107 -0.900 301 3HE MET 48 3HE MET 48 -11.159 3.708 -0.730 302 H VAL 49 H VAL 49 -8.048 -1.903 4.637 303 HA VAL 49 HA VAL 49 -9.051 -1.568 7.370 304 HB VAL 49 HB VAL 49 -6.663 -3.162 6.409 305 1HG1 VAL 49 1HG1 VAL 49 -8.112 -3.205 9.058 306 2HG1 VAL 49 2HG1 VAL 49 -6.537 -2.469 8.765 307 3HG1 VAL 49 3HG1 VAL 49 -6.738 -4.214 8.604 308 1HG2 VAL 49 1HG2 VAL 49 -8.742 -4.049 5.490 309 2HG2 VAL 49 2HG2 VAL 49 -9.449 -4.092 7.105 310 3HG2 VAL 49 3HG2 VAL 49 -8.081 -5.135 6.714 311 H TRP 50 H TRP 50 -6.464 -0.601 5.228 312 HA TRP 50 HA TRP 50 -5.683 1.514 7.030 313 1HB TRP 50 2HB TRP 50 -4.365 -0.310 7.961 314 2HB TRP 50 1HB TRP 50 -3.759 -0.734 6.367 315 HD1 TRP 50 HD1 TRP 50 -1.480 0.259 5.751 316 HE1 TRP 50 HE1 TRP 50 0.017 2.137 6.674 317 HE3 TRP 50 HE3 TRP 50 -4.662 2.190 9.260 318 HZ2 TRP 50 HZ2 TRP 50 -0.126 4.162 8.625 319 HZ3 TRP 50 HZ3 TRP 50 -3.900 4.100 10.614 320 HH2 TRP 50 HH2 TRP 50 -1.680 5.064 10.300 321 H ARG 51 H ARG 51 -4.334 3.088 5.992 322 HA ARG 51 HA ARG 51 -3.468 2.588 3.281 323 1HB ARG 51 2HB ARG 51 -4.550 4.558 2.314 324 2HB ARG 51 1HB ARG 51 -5.746 3.407 2.889 325 1HG ARG 51 2HG ARG 51 -4.943 5.557 4.755 326 2HG ARG 51 1HG ARG 51 -5.906 6.020 3.351 327 1HD ARG 51 2HD ARG 51 -7.638 4.487 3.961 328 2HD ARG 51 1HD ARG 51 -6.653 3.813 5.258 329 HE ARG 51 HE ARG 51 -6.823 6.415 5.945 330 1HH1 ARG 51 1HH1 ARG 51 -9.259 4.076 5.015 331 2HH1 ARG 51 2HH1 ARG 51 -10.501 4.769 6.011 332 1HH2 ARG 51 1HH2 ARG 51 -8.452 7.340 7.251 333 2HH2 ARG 51 2HH2 ARG 51 -10.033 6.623 7.298 334 H ALA 52 H ALA 52 -1.706 3.778 2.735 335 HA ALA 52 HA ALA 52 -0.976 6.074 4.398 336 1HB ALA 52 1HB ALA 52 0.156 4.143 5.410 337 2HB ALA 52 2HB ALA 52 1.309 5.267 4.691 338 3HB ALA 52 3HB ALA 52 0.900 3.769 3.857 339 H TRP 53 H TRP 53 0.248 7.621 3.294 340 HA TRP 53 HA TRP 53 0.086 7.455 0.438 341 1HB TRP 53 2HB TRP 53 1.310 9.622 2.154 342 2HB TRP 53 1HB TRP 53 0.908 9.736 0.461 343 HD1 TRP 53 HD1 TRP 53 -0.642 9.624 3.838 344 HE1 TRP 53 HE1 TRP 53 -3.022 10.578 3.698 345 HE3 TRP 53 HE3 TRP 53 -0.987 10.100 -1.202 346 HZ2 TRP 53 HZ2 TRP 53 -4.826 11.420 1.685 347 HZ3 TRP 53 HZ3 TRP 53 -3.067 10.985 -2.174 348 HH2 TRP 53 HH2 TRP 53 -4.946 11.631 -0.759 349 H ASN 54 H ASN 54 2.127 8.781 -0.464 350 HA ASN 54 HA ASN 54 4.211 6.738 -0.410 351 1HB ASN 54 2HB ASN 54 3.206 7.558 -2.571 352 2HB ASN 54 1HB ASN 54 3.943 9.126 -2.260 353 1HD2 ASN 54 1HD2 ASN 54 6.191 9.343 -2.443 354 2HD2 ASN 54 2HD2 ASN 54 7.165 8.143 -3.212 355 H PHE 55 H PHE 55 3.630 9.992 0.531 356 HA PHE 55 HA PHE 55 6.478 10.549 0.889 357 1HB PHE 55 2HB PHE 55 5.582 12.926 1.278 358 2HB PHE 55 1HB PHE 55 5.489 12.277 -0.355 359 HD1 PHE 55 HD1 PHE 55 3.423 12.005 -1.446 360 HD2 PHE 55 HD2 PHE 55 3.517 12.988 2.696 361 HE1 PHE 55 HE1 PHE 55 1.011 12.462 -1.501 362 HE2 PHE 55 HE2 PHE 55 1.101 13.446 2.646 363 HZ PHE 55 HZ PHE 55 -0.155 13.181 0.543 364 H GLU 56 H GLU 56 4.520 8.990 2.715 365 HA GLU 56 HA GLU 56 4.436 10.593 5.098 366 1HB GLU 56 2HB GLU 56 3.767 7.712 4.535 367 2HB GLU 56 1HB GLU 56 3.686 8.400 6.150 368 1HG GLU 56 2HG GLU 56 2.131 9.333 3.747 369 2HG GLU 56 1HG GLU 56 1.501 8.390 5.100 370 HA PRO 57 HA PRO 57 8.461 10.422 6.687 371 1HB PRO 57 2HB PRO 57 7.045 9.475 9.155 372 2HB PRO 57 1HB PRO 57 8.310 10.701 8.989 373 1HG PRO 57 2HG PRO 57 5.753 11.412 9.222 374 2HG PRO 57 1HG PRO 57 6.850 12.283 8.134 375 1HD PRO 57 2HD PRO 57 4.636 10.423 7.493 376 2HD PRO 57 1HD PRO 57 5.332 11.732 6.519 377 H ASP 58 H ASP 58 6.502 7.680 7.893 378 HA ASP 58 HA ASP 58 8.479 5.894 6.722 379 1HB ASP 58 2HB ASP 58 8.974 6.302 9.242 380 2HB ASP 58 1HB ASP 58 7.542 5.312 9.522 381 H ALA 59 H ALA 59 6.508 6.037 5.329 382 HA ALA 59 HA ALA 59 4.021 5.003 6.004 383 1HB ALA 59 1HB ALA 59 5.459 4.803 3.360 384 2HB ALA 59 2HB ALA 59 4.469 6.157 3.902 385 3HB ALA 59 3HB ALA 59 3.727 4.582 3.610 386 H GLY 60 H GLY 60 6.977 3.363 5.100 387 1HA GLY 60 2HA GLY 60 6.019 0.818 4.558 388 2HA GLY 60 1HA GLY 60 7.621 1.180 5.176 389 H GLU 61 H GLU 61 6.687 2.291 7.700 390 HA GLU 61 HA GLU 61 6.816 -0.040 9.213 391 1HB GLU 61 2HB GLU 61 7.340 2.333 9.941 392 2HB GLU 61 1HB GLU 61 5.613 2.572 10.153 393 1HG GLU 61 2HG GLU 61 6.965 0.309 11.545 394 2HG GLU 61 1HG GLU 61 7.137 1.945 12.173 395 H GLY 62 H GLY 62 3.971 1.950 8.417 396 1HA GLY 62 2HA GLY 62 2.149 0.325 9.899 397 2HA GLY 62 1HA GLY 62 1.718 1.546 8.709 398 H LEU 63 H LEU 63 3.023 0.517 6.482 399 HA LEU 63 HA LEU 63 1.078 -1.333 5.573 400 1HB LEU 63 2HB LEU 63 3.737 -0.629 4.319 401 2HB LEU 63 1HB LEU 63 2.366 -1.362 3.507 402 HG LEU 63 HG LEU 63 2.323 1.398 4.729 403 1HD1 LEU 63 1HD1 LEU 63 3.893 1.358 2.896 404 2HD1 LEU 63 2HD1 LEU 63 2.429 2.215 2.423 405 3HD1 LEU 63 3HD1 LEU 63 2.706 0.567 1.861 406 1HD2 LEU 63 1HD2 LEU 63 0.276 1.673 3.448 407 2HD2 LEU 63 2HD2 LEU 63 0.137 0.316 4.567 408 3HD2 LEU 63 3HD2 LEU 63 0.412 0.021 2.850 409 H ASN 64 H ASN 64 4.573 -1.702 6.216 410 HA ASN 64 HA ASN 64 4.741 -4.435 5.624 411 1HB ASN 64 2HB ASN 64 6.379 -2.688 7.456 412 2HB ASN 64 1HB ASN 64 6.751 -4.387 7.197 413 1HD2 ASN 64 1HD2 ASN 64 8.179 -1.888 6.563 414 2HD2 ASN 64 2HD2 ASN 64 8.567 -1.987 4.889 415 H ARG 65 H ARG 65 3.993 -2.757 8.640 416 HA ARG 65 HA ARG 65 3.959 -4.860 10.421 417 1HB ARG 65 2HB ARG 65 3.564 -2.476 11.009 418 2HB ARG 65 1HB ARG 65 1.961 -2.590 10.298 419 1HG ARG 65 2HG ARG 65 1.529 -4.470 11.950 420 2HG ARG 65 1HG ARG 65 3.004 -3.943 12.762 421 1HD ARG 65 2HD ARG 65 0.551 -2.271 12.238 422 2HD ARG 65 1HD ARG 65 1.044 -2.939 13.792 423 HE ARG 65 HE ARG 65 2.997 -1.193 12.552 424 1HH1 ARG 65 1HH1 ARG 65 0.242 -1.431 14.695 425 2HH1 ARG 65 2HH1 ARG 65 0.586 0.050 15.524 426 1HH2 ARG 65 1HH2 ARG 65 3.458 0.770 13.607 427 2HH2 ARG 65 2HH2 ARG 65 2.419 1.319 14.898 428 H TYR 66 H TYR 66 1.275 -3.714 8.369 429 HA TYR 66 HA TYR 66 -0.546 -5.733 9.122 430 1HB TYR 66 2HB TYR 66 -1.197 -3.626 7.987 431 2HB TYR 66 1HB TYR 66 -0.407 -4.186 6.517 432 HD1 TYR 66 HD1 TYR 66 -3.371 -4.382 8.588 433 HD2 TYR 66 HD2 TYR 66 -1.342 -6.111 5.279 434 HE1 TYR 66 HE1 TYR 66 -5.455 -5.498 7.909 435 HE2 TYR 66 HE2 TYR 66 -3.418 -7.232 4.579 436 HH TYR 66 HH TYR 66 -6.435 -6.416 5.772 437 H ILE 67 H ILE 67 1.802 -5.506 6.498 438 HA ILE 67 HA ILE 67 1.085 -7.765 5.031 439 HB ILE 67 HB ILE 67 3.833 -6.559 5.403 440 1HG1 ILE 67 2HG1 ILE 67 1.853 -6.138 3.159 441 2HG1 ILE 67 1HG1 ILE 67 2.034 -5.036 4.521 442 1HG2 ILE 67 1HG2 ILE 67 3.968 -8.818 4.514 443 2HG2 ILE 67 2HG2 ILE 67 4.404 -7.630 3.288 444 3HG2 ILE 67 3HG2 ILE 67 2.816 -8.400 3.247 445 1HD1 ILE 67 1HD1 ILE 67 4.186 -5.731 2.530 446 2HD1 ILE 67 2HD1 ILE 67 4.342 -4.601 3.877 447 3HD1 ILE 67 3HD1 ILE 67 3.235 -4.246 2.551 448 H ARG 68 H ARG 68 2.935 -7.544 8.001 449 HA ARG 68 HA ARG 68 4.287 -10.020 7.788 450 1HB ARG 68 2HB ARG 68 3.476 -8.613 10.334 451 2HB ARG 68 1HB ARG 68 4.774 -9.786 10.143 452 1HG ARG 68 2HG ARG 68 4.633 -7.055 8.919 453 2HG ARG 68 1HG ARG 68 5.663 -7.548 10.269 454 1HD ARG 68 2HD ARG 68 5.789 -8.639 7.453 455 2HD ARG 68 1HD ARG 68 6.912 -7.472 8.148 456 HE ARG 68 HE ARG 68 7.626 -9.221 9.699 457 1HH1 ARG 68 1HH1 ARG 68 5.854 -10.220 6.839 458 2HH1 ARG 68 2HH1 ARG 68 6.463 -11.847 6.870 459 1HH2 ARG 68 1HH2 ARG 68 8.451 -11.362 9.724 460 2HH2 ARG 68 2HH2 ARG 68 7.940 -12.483 8.495 461 H THR 69 H THR 69 1.510 -9.173 9.840 462 HA THR 69 HA THR 69 0.979 -11.944 10.359 463 HB THR 69 HB THR 69 -1.004 -10.940 11.604 464 HG1 THR 69 HG1 THR 69 -1.247 -8.951 10.676 465 1HG2 THR 69 1HG2 THR 69 1.064 -11.573 12.734 466 2HG2 THR 69 2HG2 THR 69 0.401 -10.095 13.431 467 3HG2 THR 69 3HG2 THR 69 1.773 -10.011 12.326 468 H SER 70 H SER 70 -0.091 -9.543 8.112 469 HA SER 70 HA SER 70 -2.419 -11.238 7.442 470 1HB SER 70 2HB SER 70 -2.354 -8.216 7.477 471 2HB SER 70 1HB SER 70 -3.738 -9.221 7.050 472 HG SER 70 HG SER 70 -3.675 -10.066 9.191 473 H GLY 71 H GLY 71 0.283 -11.031 6.149 474 1HA GLY 71 2HA GLY 71 0.036 -9.918 3.593 475 2HA GLY 71 1HA GLY 71 0.994 -11.341 3.980 476 H ILE 72 H ILE 72 -1.433 -10.262 2.048 477 HA ILE 72 HA ILE 72 -3.152 -12.615 2.306 478 HB ILE 72 HB ILE 72 -3.535 -10.154 0.581 479 1HG1 ILE 72 2HG1 ILE 72 -3.475 -9.608 2.988 480 2HG1 ILE 72 1HG1 ILE 72 -5.077 -9.373 2.301 481 1HG2 ILE 72 1HG2 ILE 72 -5.866 -10.834 0.448 482 2HG2 ILE 72 2HG2 ILE 72 -5.520 -12.264 1.420 483 3HG2 ILE 72 3HG2 ILE 72 -4.815 -12.099 -0.189 484 1HD1 ILE 72 1HD1 ILE 72 -5.217 -10.391 4.489 485 2HD1 ILE 72 2HD1 ILE 72 -4.182 -11.718 3.960 486 3HD1 ILE 72 3HD1 ILE 72 -5.785 -11.516 3.253 487 H ARG 73 H ARG 73 -0.373 -12.076 0.730 488 HA ARG 73 HA ARG 73 -1.029 -12.672 -1.966 489 1HB ARG 73 2HB ARG 73 1.305 -12.870 -2.377 490 2HB ARG 73 1HB ARG 73 1.054 -11.556 -1.249 491 1HG ARG 73 2HG ARG 73 1.914 -12.792 0.559 492 2HG ARG 73 1HG ARG 73 1.845 -14.305 -0.350 493 1HD ARG 73 2HD ARG 73 3.549 -13.444 -1.888 494 2HD ARG 73 1HD ARG 73 3.625 -11.945 -0.965 495 HE ARG 73 HE ARG 73 4.754 -13.069 0.746 496 1HH1 ARG 73 1HH1 ARG 73 3.838 -15.270 -1.831 497 2HH1 ARG 73 2HH1 ARG 73 4.999 -16.484 -1.374 498 1HH2 ARG 73 1HH2 ARG 73 6.286 -14.658 1.330 499 2HH2 ARG 73 2HH2 ARG 73 6.407 -16.128 0.405 500 H THR 74 H THR 74 0.024 -14.669 0.737 501 HA THR 74 HA THR 74 -0.014 -17.063 -0.876 502 HB THR 74 HB THR 74 1.625 -16.862 0.940 503 HG1 THR 74 HG1 THR 74 -0.351 -18.879 1.103 504 1HG2 THR 74 1HG2 THR 74 0.938 -16.953 3.280 505 2HG2 THR 74 2HG2 THR 74 -0.756 -16.885 2.796 506 3HG2 THR 74 3HG2 THR 74 0.302 -15.506 2.497 507 H ASP 75 H ASP 75 -2.258 -15.109 0.389 508 HA ASP 75 HA ASP 75 -4.376 -15.137 0.978 509 1HB ASP 75 2HB ASP 75 -5.878 -16.407 -0.284 510 2HB ASP 75 1HB ASP 75 -4.477 -16.187 -1.316 Start of MODEL 6 1 H GLY 10 H GLY 10 11.850 4.646 4.889 2 1HA GLY 10 2HA GLY 10 9.302 3.700 5.645 3 2HA GLY 10 1HA GLY 10 9.875 5.358 5.782 4 HA PRO 11 HA PRO 11 7.372 6.306 2.216 5 1HB PRO 11 2HB PRO 11 9.273 8.081 1.019 6 2HB PRO 11 1HB PRO 11 7.809 8.481 1.906 7 1HG PRO 11 2HG PRO 11 10.360 8.995 2.813 8 2HG PRO 11 1HG PRO 11 8.938 8.829 3.857 9 1HD PRO 11 2HD PRO 11 11.100 6.856 3.269 10 2HD PRO 11 1HD PRO 11 10.211 7.143 4.780 11 H PHE 12 H PHE 12 7.074 5.375 0.343 12 HA PHE 12 HA PHE 12 9.322 3.843 -0.771 13 1HB PHE 12 2HB PHE 12 7.442 2.536 -1.895 14 2HB PHE 12 1HB PHE 12 7.580 2.390 -0.153 15 HD1 PHE 12 HD1 PHE 12 5.856 3.175 1.298 16 HD2 PHE 12 HD2 PHE 12 5.604 3.826 -2.901 17 HE1 PHE 12 HE1 PHE 12 3.487 3.779 1.536 18 HE2 PHE 12 HE2 PHE 12 3.227 4.442 -2.657 19 HZ PHE 12 HZ PHE 12 2.183 4.417 -0.434 20 H THR 13 H THR 13 8.449 3.209 -3.198 21 HA THR 13 HA THR 13 8.270 5.766 -4.627 22 HB THR 13 HB THR 13 9.561 3.463 -5.969 23 HG1 THR 13 HG1 THR 13 11.369 3.492 -4.763 24 1HG2 THR 13 1HG2 THR 13 11.036 5.228 -6.782 25 2HG2 THR 13 2HG2 THR 13 10.264 6.378 -5.689 26 3HG2 THR 13 3HG2 THR 13 9.341 5.660 -7.011 27 H ARG 14 H ARG 14 7.181 5.629 -6.707 28 HA ARG 14 HA ARG 14 4.793 4.196 -6.709 29 1HB ARG 14 2HB ARG 14 5.413 6.226 -8.099 30 2HB ARG 14 1HB ARG 14 6.241 5.127 -9.184 31 1HG ARG 14 2HG ARG 14 4.199 3.998 -9.712 32 2HG ARG 14 1HG ARG 14 3.321 4.930 -8.498 33 1HD ARG 14 2HD ARG 14 3.741 6.978 -9.747 34 2HD ARG 14 1HD ARG 14 4.668 6.072 -10.943 35 HE ARG 14 HE ARG 14 2.635 4.991 -11.629 36 1HH1 ARG 14 1HH1 ARG 14 2.228 7.713 -9.455 37 2HH1 ARG 14 2HH1 ARG 14 0.573 8.001 -9.916 38 1HH2 ARG 14 1HH2 ARG 14 0.458 5.366 -12.228 39 2HH2 ARG 14 2HH2 ARG 14 -0.442 6.650 -11.471 40 H ARG 15 H ARG 15 7.797 3.571 -8.432 41 HA ARG 15 HA ARG 15 7.199 1.211 -9.747 42 1HB ARG 15 2HB ARG 15 9.354 2.557 -9.814 43 2HB ARG 15 1HB ARG 15 9.810 1.738 -8.327 44 1HG ARG 15 2HG ARG 15 9.614 -0.427 -9.524 45 2HG ARG 15 1HG ARG 15 9.318 0.475 -11.013 46 1HD ARG 15 2HD ARG 15 11.800 0.435 -9.318 47 2HD ARG 15 1HD ARG 15 11.626 -0.035 -11.008 48 HE ARG 15 HE ARG 15 10.934 2.570 -11.060 49 1HH1 ARG 15 1HH1 ARG 15 13.708 0.860 -9.758 50 2HH1 ARG 15 2HH1 ARG 15 14.759 2.239 -9.873 51 1HH2 ARG 15 1HH2 ARG 15 12.335 4.373 -11.224 52 2HH2 ARG 15 2HH2 ARG 15 13.992 4.210 -10.717 53 H GLN 16 H GLN 16 8.748 1.465 -6.555 54 HA GLN 16 HA GLN 16 8.687 -1.236 -5.915 55 1HB GLN 16 2HB GLN 16 8.886 1.266 -4.292 56 2HB GLN 16 1HB GLN 16 8.659 -0.268 -3.466 57 1HG GLN 16 2HG GLN 16 10.995 0.261 -3.541 58 2HG GLN 16 1HG GLN 16 10.682 -1.135 -4.566 59 1HE2 GLN 16 1HE2 GLN 16 12.540 -0.823 -5.758 60 2HE2 GLN 16 2HE2 GLN 16 12.740 0.482 -6.873 61 H ALA 17 H ALA 17 6.294 1.290 -5.199 62 HA ALA 17 HA ALA 17 4.545 -0.154 -3.591 63 1HB ALA 17 1HB ALA 17 3.861 1.920 -5.676 64 2HB ALA 17 2HB ALA 17 4.309 2.235 -4.000 65 3HB ALA 17 3HB ALA 17 2.803 1.394 -4.368 66 H GLN 18 H GLN 18 4.640 0.050 -7.119 67 HA GLN 18 HA GLN 18 2.420 -1.545 -7.687 68 1HB GLN 18 2HB GLN 18 4.953 -0.969 -9.202 69 2HB GLN 18 1HB GLN 18 3.644 -1.920 -9.874 70 1HG GLN 18 2HG GLN 18 2.145 -0.071 -9.770 71 2HG GLN 18 1HG GLN 18 3.304 0.876 -8.837 72 1HE2 GLN 18 1HE2 GLN 18 5.104 1.735 -9.859 73 2HE2 GLN 18 2HE2 GLN 18 5.189 1.911 -11.578 74 H ALA 19 H ALA 19 5.775 -2.368 -7.051 75 HA ALA 19 HA ALA 19 5.549 -5.133 -7.649 76 1HB ALA 19 1HB ALA 19 7.670 -5.373 -6.443 77 2HB ALA 19 2HB ALA 19 7.517 -3.719 -5.849 78 3HB ALA 19 3HB ALA 19 7.715 -4.021 -7.575 79 H VAL 20 H VAL 20 4.610 -3.216 -4.915 80 HA VAL 20 HA VAL 20 4.547 -5.488 -3.110 81 HB VAL 20 HB VAL 20 3.233 -2.846 -2.525 82 1HG1 VAL 20 1HG1 VAL 20 4.605 -4.895 -0.789 83 2HG1 VAL 20 2HG1 VAL 20 2.865 -4.655 -0.950 84 3HG1 VAL 20 3HG1 VAL 20 3.864 -3.399 -0.218 85 1HG2 VAL 20 1HG2 VAL 20 5.327 -2.012 -1.591 86 2HG2 VAL 20 2HG2 VAL 20 5.465 -2.289 -3.328 87 3HG2 VAL 20 3HG2 VAL 20 6.168 -3.440 -2.192 88 H THR 21 H THR 21 2.585 -3.989 -5.447 89 HA THR 21 HA THR 21 0.096 -5.106 -4.373 90 HB THR 21 HB THR 21 -0.261 -4.140 -7.027 91 HG1 THR 21 HG1 THR 21 1.268 -2.429 -5.331 92 1HG2 THR 21 1HG2 THR 21 -0.983 -2.830 -4.421 93 2HG2 THR 21 2HG2 THR 21 -1.871 -4.186 -5.124 94 3HG2 THR 21 3HG2 THR 21 -1.800 -2.634 -5.972 95 H THR 22 H THR 22 2.434 -5.416 -6.906 96 HA THR 22 HA THR 22 1.502 -7.621 -8.291 97 HB THR 22 HB THR 22 4.316 -6.865 -7.472 98 HG1 THR 22 HG1 THR 22 3.289 -5.295 -8.769 99 1HG2 THR 22 1HG2 THR 22 3.415 -8.748 -9.634 100 2HG2 THR 22 2HG2 THR 22 4.204 -9.201 -8.124 101 3HG2 THR 22 3HG2 THR 22 5.074 -8.239 -9.318 102 H THR 23 H THR 23 3.021 -7.323 -5.152 103 HA THR 23 HA THR 23 3.087 -10.182 -4.740 104 HB THR 23 HB THR 23 3.759 -7.923 -2.852 105 HG1 THR 23 HG1 THR 23 5.248 -7.868 -4.469 106 1HG2 THR 23 1HG2 THR 23 4.971 -9.634 -1.580 107 2HG2 THR 23 2HG2 THR 23 4.405 -10.874 -2.698 108 3HG2 THR 23 3HG2 THR 23 3.253 -10.018 -1.672 109 H TYR 24 H TYR 24 1.344 -7.374 -3.278 110 HA TYR 24 HA TYR 24 -0.583 -9.330 -2.220 111 1HB TYR 24 2HB TYR 24 0.163 -6.634 -1.075 112 2HB TYR 24 1HB TYR 24 -0.994 -7.758 -0.386 113 HD1 TYR 24 HD1 TYR 24 -0.023 -10.155 0.136 114 HD2 TYR 24 HD2 TYR 24 2.340 -6.647 -0.307 115 HE1 TYR 24 HE1 TYR 24 1.799 -11.232 1.379 116 HE2 TYR 24 HE2 TYR 24 4.169 -7.716 0.941 117 HH TYR 24 HH TYR 24 4.574 -9.485 2.464 118 H SER 25 H SER 25 -2.340 -9.280 -3.459 119 HA SER 25 HA SER 25 -3.047 -7.001 -5.031 120 1HB SER 25 2HB SER 25 -5.005 -8.518 -5.642 121 2HB SER 25 1HB SER 25 -3.396 -9.109 -6.047 122 HG SER 25 HG SER 25 -5.258 -10.180 -4.372 123 H ASN 26 H ASN 26 -3.499 -7.631 -1.854 124 HA ASN 26 HA ASN 26 -6.188 -6.598 -1.623 125 1HB ASN 26 2HB ASN 26 -5.839 -6.682 0.784 126 2HB ASN 26 1HB ASN 26 -5.310 -8.197 0.058 127 1HD2 ASN 26 1HD2 ASN 26 -4.586 -6.665 2.559 128 2HD2 ASN 26 2HD2 ASN 26 -2.856 -6.621 2.524 129 H ILE 27 H ILE 27 -3.003 -5.402 -1.878 130 HA ILE 27 HA ILE 27 -3.512 -2.832 -0.688 131 HB ILE 27 HB ILE 27 -1.345 -3.266 -2.701 132 1HG1 ILE 27 2HG1 ILE 27 -1.453 -4.547 0.008 133 2HG1 ILE 27 1HG1 ILE 27 -0.959 -5.226 -1.520 134 1HG2 ILE 27 1HG2 ILE 27 -1.606 -1.059 -1.746 135 2HG2 ILE 27 2HG2 ILE 27 -0.093 -1.780 -1.193 136 3HG2 ILE 27 3HG2 ILE 27 -1.490 -1.724 -0.118 137 1HD1 ILE 27 1HD1 ILE 27 0.571 -3.215 0.092 138 2HD1 ILE 27 2HD1 ILE 27 1.058 -3.849 -1.479 139 3HD1 ILE 27 3HD1 ILE 27 0.944 -4.929 -0.088 140 H THR 28 H THR 28 -3.766 -0.837 -1.888 141 HA THR 28 HA THR 28 -4.408 -1.173 -4.731 142 HB THR 28 HB THR 28 -6.392 0.390 -4.409 143 HG1 THR 28 HG1 THR 28 -7.027 0.879 -2.442 144 1HG2 THR 28 1HG2 THR 28 -6.659 -1.992 -4.918 145 2HG2 THR 28 2HG2 THR 28 -7.927 -1.422 -3.832 146 3HG2 THR 28 3HG2 THR 28 -6.583 -2.368 -3.195 147 H LEU 29 H LEU 29 -3.497 0.329 -5.942 148 HA LEU 29 HA LEU 29 -2.326 2.674 -4.701 149 1HB LEU 29 2HB LEU 29 -1.206 1.243 -6.505 150 2HB LEU 29 1HB LEU 29 -2.325 1.973 -7.636 151 HG LEU 29 HG LEU 29 -0.466 3.642 -5.951 152 1HD1 LEU 29 1HD1 LEU 29 0.868 2.023 -7.210 153 2HD1 LEU 29 2HD1 LEU 29 1.080 3.664 -7.824 154 3HD1 LEU 29 3HD1 LEU 29 0.059 2.522 -8.697 155 1HD2 LEU 29 1HD2 LEU 29 -2.316 4.825 -7.014 156 2HD2 LEU 29 2HD2 LEU 29 -1.866 4.144 -8.577 157 3HD2 LEU 29 3HD2 LEU 29 -0.781 5.266 -7.755 158 H GLU 30 H GLU 30 -3.762 4.193 -4.232 159 HA GLU 30 HA GLU 30 -5.742 4.899 -6.292 160 1HB GLU 30 2HB GLU 30 -6.082 4.836 -3.292 161 2HB GLU 30 1HB GLU 30 -7.241 5.573 -4.391 162 1HG GLU 30 2HG GLU 30 -7.590 3.417 -5.481 163 2HG GLU 30 1HG GLU 30 -6.415 2.677 -4.395 164 H ASP 31 H ASP 31 -6.706 7.128 -5.744 165 HA ASP 31 HA ASP 31 -6.492 9.370 -5.556 166 1HB ASP 31 2HB ASP 31 -5.315 9.101 -3.425 167 2HB ASP 31 1HB ASP 31 -3.801 8.853 -4.289 168 H ASP 32 H ASP 32 -3.318 8.061 -6.239 169 HA ASP 32 HA ASP 32 -1.685 8.707 -7.684 170 1HB ASP 32 2HB ASP 32 -3.016 6.978 -8.873 171 2HB ASP 32 1HB ASP 32 -3.891 8.269 -9.691 172 H GLN 33 H GLN 33 -1.650 10.907 -6.901 173 HA GLN 33 HA GLN 33 -2.349 12.807 -9.029 174 1HB GLN 33 2HB GLN 33 -3.029 13.359 -6.693 175 2HB GLN 33 1HB GLN 33 -1.341 13.325 -6.219 176 1HG GLN 33 2HG GLN 33 -0.852 15.232 -7.577 177 2HG GLN 33 1HG GLN 33 -2.470 15.205 -8.276 178 1HE2 GLN 33 1HE2 GLN 33 -2.036 14.532 -4.905 179 2HE2 GLN 33 2HE2 GLN 33 -2.672 16.032 -4.313 180 H GLY 34 H GLY 34 -0.390 10.826 -9.412 181 1HA GLY 34 2HA GLY 34 1.609 10.881 -10.611 182 2HA GLY 34 1HA GLY 34 1.881 12.524 -10.049 183 H SER 35 H SER 35 3.198 12.862 -8.359 184 HA SER 35 HA SER 35 4.625 10.608 -7.260 185 1HB SER 35 2HB SER 35 4.870 13.558 -6.623 186 2HB SER 35 1HB SER 35 6.024 12.297 -6.187 187 HG SER 35 HG SER 35 5.753 12.014 -8.736 188 H HIS 36 H HIS 36 1.877 12.412 -6.453 189 HA HIS 36 HA HIS 36 2.022 11.535 -3.649 190 1HB HIS 36 2HB HIS 36 0.385 13.718 -4.948 191 2HB HIS 36 1HB HIS 36 0.078 13.134 -3.320 192 HD1 HIS 36 HD1 HIS 36 0.897 16.089 -3.935 193 HD2 HIS 36 HD2 HIS 36 3.509 13.068 -2.760 194 HE1 HIS 36 HE1 HIS 36 2.865 17.254 -2.895 195 HE2 HIS 36 HE2 HIS 36 4.484 15.421 -2.294 196 H PHE 37 H PHE 37 1.098 9.606 -3.458 197 HA PHE 37 HA PHE 37 -1.677 9.318 -4.198 198 1HB PHE 37 2HB PHE 37 -1.363 7.169 -5.361 199 2HB PHE 37 1HB PHE 37 -0.576 8.482 -6.227 200 HD1 PHE 37 HD1 PHE 37 1.824 8.590 -6.407 201 HD2 PHE 37 HD2 PHE 37 -0.064 5.435 -4.261 202 HE1 PHE 37 HE1 PHE 37 3.930 7.324 -6.423 203 HE2 PHE 37 HE2 PHE 37 2.043 4.161 -4.277 204 HZ PHE 37 HZ PHE 37 4.044 5.109 -5.358 205 H ARG 38 H ARG 38 -2.504 7.120 -3.307 206 HA ARG 38 HA ARG 38 -0.900 6.433 -0.919 207 1HB ARG 38 2HB ARG 38 -2.906 6.325 0.441 208 2HB ARG 38 1HB ARG 38 -2.763 7.923 -0.280 209 1HG ARG 38 2HG ARG 38 -4.392 7.258 -2.004 210 2HG ARG 38 1HG ARG 38 -4.568 5.699 -1.200 211 1HD ARG 38 2HD ARG 38 -5.297 6.884 0.846 212 2HD ARG 38 1HD ARG 38 -5.210 8.406 -0.040 213 HE ARG 38 HE ARG 38 -7.125 6.226 -0.537 214 1HH1 ARG 38 1HH1 ARG 38 -6.084 9.526 -1.026 215 2HH1 ARG 38 2HH1 ARG 38 -7.581 10.035 -1.745 216 1HH2 ARG 38 1HH2 ARG 38 -9.095 6.874 -1.464 217 2HH2 ARG 38 2HH2 ARG 38 -9.314 8.529 -1.964 218 H LEU 39 H LEU 39 -0.973 4.362 -0.189 219 HA LEU 39 HA LEU 39 -2.300 2.399 -1.935 220 1HB LEU 39 2HB LEU 39 -0.034 2.026 0.018 221 2HB LEU 39 1HB LEU 39 -0.752 0.759 -0.932 222 HG LEU 39 HG LEU 39 0.660 3.131 -2.099 223 1HD1 LEU 39 1HD1 LEU 39 2.499 1.585 -2.528 224 2HD1 LEU 39 2HD1 LEU 39 1.624 0.301 -1.692 225 3HD1 LEU 39 3HD1 LEU 39 2.179 1.718 -0.801 226 1HD2 LEU 39 1HD2 LEU 39 -1.011 2.129 -3.573 227 2HD2 LEU 39 2HD2 LEU 39 -0.269 0.546 -3.340 228 3HD2 LEU 39 3HD2 LEU 39 0.624 1.827 -4.159 229 H VAL 40 H VAL 40 -4.098 1.635 -1.173 230 HA VAL 40 HA VAL 40 -4.619 1.707 1.701 231 HB VAL 40 HB VAL 40 -6.510 1.022 -0.559 232 1HG1 VAL 40 1HG1 VAL 40 -8.263 1.327 1.127 233 2HG1 VAL 40 2HG1 VAL 40 -7.028 1.586 2.358 234 3HG1 VAL 40 3HG1 VAL 40 -7.161 0.018 1.562 235 1HG2 VAL 40 1HG2 VAL 40 -7.458 3.260 -0.150 236 2HG2 VAL 40 2HG2 VAL 40 -5.787 3.332 -0.715 237 3HG2 VAL 40 3HG2 VAL 40 -6.154 3.585 0.993 238 H VAL 41 H VAL 41 -4.220 -0.033 2.869 239 HA VAL 41 HA VAL 41 -3.920 -2.626 1.581 240 HB VAL 41 HB VAL 41 -3.510 -1.863 4.483 241 1HG1 VAL 41 1HG1 VAL 41 -4.053 -4.214 4.215 242 2HG1 VAL 41 2HG1 VAL 41 -2.355 -4.019 4.647 243 3HG1 VAL 41 3HG1 VAL 41 -2.804 -4.378 2.981 244 1HG2 VAL 41 1HG2 VAL 41 -1.897 -0.751 3.055 245 2HG2 VAL 41 2HG2 VAL 41 -1.520 -2.278 2.257 246 3HG2 VAL 41 3HG2 VAL 41 -1.108 -2.050 3.957 247 H ARG 42 H ARG 42 -5.708 -3.723 1.245 248 HA ARG 42 HA ARG 42 -7.941 -3.508 3.125 249 1HB ARG 42 2HB ARG 42 -7.825 -4.863 0.427 250 2HB ARG 42 1HB ARG 42 -9.268 -4.521 1.371 251 1HG ARG 42 2HG ARG 42 -9.052 -2.183 1.020 252 2HG ARG 42 1HG ARG 42 -7.440 -2.374 0.325 253 1HD ARG 42 2HD ARG 42 -10.049 -3.325 -0.843 254 2HD ARG 42 1HD ARG 42 -9.031 -2.017 -1.448 255 HE ARG 42 HE ARG 42 -7.302 -3.874 -1.749 256 1HH1 ARG 42 1HH1 ARG 42 -10.747 -4.295 -2.092 257 2HH1 ARG 42 2HH1 ARG 42 -10.621 -5.681 -3.128 258 1HH2 ARG 42 1HH2 ARG 42 -7.109 -5.698 -3.145 259 2HH2 ARG 42 2HH2 ARG 42 -8.547 -6.483 -3.723 260 H ASP 43 H ASP 43 -9.183 -5.708 3.328 261 HA ASP 43 HA ASP 43 -7.235 -7.759 4.075 262 1HB ASP 43 2HB ASP 43 -8.888 -8.742 5.416 263 2HB ASP 43 1HB ASP 43 -9.199 -7.025 5.583 264 H THR 44 H THR 44 -8.671 -10.041 3.783 265 HA THR 44 HA THR 44 -8.102 -10.719 1.123 266 HB THR 44 HB THR 44 -8.012 -12.393 2.850 267 HG1 THR 44 HG1 THR 44 -8.549 -13.812 1.397 268 1HG2 THR 44 1HG2 THR 44 -9.788 -11.552 4.305 269 2HG2 THR 44 2HG2 THR 44 -10.023 -13.262 3.948 270 3HG2 THR 44 3HG2 THR 44 -11.000 -12.047 3.124 271 H GLU 45 H GLU 45 -10.969 -9.444 2.570 272 HA GLU 45 HA GLU 45 -12.654 -10.226 0.323 273 1HB GLU 45 2HB GLU 45 -13.537 -10.340 2.631 274 2HB GLU 45 1HB GLU 45 -13.305 -8.605 2.795 275 1HG GLU 45 2HG GLU 45 -14.918 -8.201 1.031 276 2HG GLU 45 1HG GLU 45 -15.132 -9.936 0.809 277 H GLY 46 H GLY 46 -10.974 -7.447 1.611 278 1HA GLY 46 2HA GLY 46 -10.396 -5.749 -0.098 279 2HA GLY 46 1HA GLY 46 -12.072 -5.835 -0.616 280 H ARG 47 H ARG 47 -11.816 -6.065 2.747 281 HA ARG 47 HA ARG 47 -12.973 -3.473 3.141 282 1HB ARG 47 2HB ARG 47 -11.875 -5.377 5.218 283 2HB ARG 47 1HB ARG 47 -13.025 -4.084 5.476 284 1HG ARG 47 2HG ARG 47 -13.503 -6.614 3.931 285 2HG ARG 47 1HG ARG 47 -14.160 -6.201 5.514 286 1HD ARG 47 2HD ARG 47 -14.716 -4.737 2.940 287 2HD ARG 47 1HD ARG 47 -15.803 -5.882 3.722 288 HE ARG 47 HE ARG 47 -15.251 -3.947 5.614 289 1HH1 ARG 47 1HH1 ARG 47 -16.666 -4.090 2.425 290 2HH1 ARG 47 2HH1 ARG 47 -17.744 -2.749 2.685 291 1HH2 ARG 47 1HH2 ARG 47 -16.634 -2.153 5.976 292 2HH2 ARG 47 2HH2 ARG 47 -17.712 -1.628 4.713 293 H MET 48 H MET 48 -11.953 -1.620 3.841 294 HA MET 48 HA MET 48 -9.089 -1.611 3.454 295 1HB MET 48 2HB MET 48 -10.928 0.678 4.167 296 2HB MET 48 1HB MET 48 -9.256 0.818 3.651 297 1HG MET 48 2HG MET 48 -9.915 -0.261 1.495 298 2HG MET 48 1HG MET 48 -11.592 -0.138 2.020 299 1HE MET 48 1HE MET 48 -10.437 1.080 -0.716 300 2HE MET 48 2HE MET 48 -11.283 2.627 -0.745 301 3HE MET 48 3HE MET 48 -12.131 1.168 -0.230 302 H VAL 49 H VAL 49 -7.918 -2.358 5.059 303 HA VAL 49 HA VAL 49 -8.693 -1.891 7.828 304 HB VAL 49 HB VAL 49 -6.320 -3.434 6.757 305 1HG1 VAL 49 1HG1 VAL 49 -7.670 -3.513 9.458 306 2HG1 VAL 49 2HG1 VAL 49 -6.104 -2.783 9.104 307 3HG1 VAL 49 3HG1 VAL 49 -6.318 -4.526 8.946 308 1HG2 VAL 49 1HG2 VAL 49 -9.067 -4.436 7.496 309 2HG2 VAL 49 2HG2 VAL 49 -7.680 -5.454 7.114 310 3HG2 VAL 49 3HG2 VAL 49 -8.364 -4.397 5.879 311 H TRP 50 H TRP 50 -6.334 -0.886 5.486 312 HA TRP 50 HA TRP 50 -5.339 1.173 7.265 313 1HB TRP 50 2HB TRP 50 -3.876 -0.712 7.822 314 2HB TRP 50 1HB TRP 50 -3.515 -0.962 6.120 315 HD1 TRP 50 HD1 TRP 50 -1.425 0.222 5.215 316 HE1 TRP 50 HE1 TRP 50 0.178 2.035 6.088 317 HE3 TRP 50 HE3 TRP 50 -3.930 1.544 9.473 318 HZ2 TRP 50 HZ2 TRP 50 0.363 3.786 8.290 319 HZ3 TRP 50 HZ3 TRP 50 -2.968 3.295 10.909 320 HH2 TRP 50 HH2 TRP 50 -0.866 4.392 10.328 321 H ARG 51 H ARG 51 -3.979 2.730 6.095 322 HA ARG 51 HA ARG 51 -3.691 2.508 3.254 323 1HB ARG 51 2HB ARG 51 -4.973 4.612 2.768 324 2HB ARG 51 1HB ARG 51 -5.972 3.232 3.200 325 1HG ARG 51 2HG ARG 51 -6.272 4.100 5.436 326 2HG ARG 51 1HG ARG 51 -5.177 5.438 5.094 327 1HD ARG 51 2HD ARG 51 -7.438 6.228 4.944 328 2HD ARG 51 1HD ARG 51 -6.740 6.199 3.327 329 HE ARG 51 HE ARG 51 -7.971 3.938 3.185 330 1HH1 ARG 51 1HH1 ARG 51 -9.084 6.725 4.975 331 2HH1 ARG 51 2HH1 ARG 51 -10.773 6.369 4.745 332 1HH2 ARG 51 1HH2 ARG 51 -10.212 3.451 2.875 333 2HH2 ARG 51 2HH2 ARG 51 -11.408 4.507 3.551 334 H ALA 52 H ALA 52 -1.961 3.669 2.609 335 HA ALA 52 HA ALA 52 -0.999 5.822 4.353 336 1HB ALA 52 1HB ALA 52 0.167 3.805 5.085 337 2HB ALA 52 2HB ALA 52 1.280 4.932 4.307 338 3HB ALA 52 3HB ALA 52 0.712 3.510 3.431 339 H TRP 53 H TRP 53 0.080 7.452 3.302 340 HA TRP 53 HA TRP 53 -0.175 7.497 0.424 341 1HB TRP 53 2HB TRP 53 0.936 9.562 2.333 342 2HB TRP 53 1HB TRP 53 0.620 9.815 0.642 343 HD1 TRP 53 HD1 TRP 53 -1.067 9.521 3.933 344 HE1 TRP 53 HE1 TRP 53 -3.463 10.419 3.722 345 HE3 TRP 53 HE3 TRP 53 -1.251 10.109 -1.108 346 HZ2 TRP 53 HZ2 TRP 53 -5.218 11.269 1.676 347 HZ3 TRP 53 HZ3 TRP 53 -3.313 10.974 -2.128 348 HH2 TRP 53 HH2 TRP 53 -5.256 11.542 -0.766 349 H ASN 54 H ASN 54 1.928 9.071 -0.254 350 HA ASN 54 HA ASN 54 4.133 7.138 -0.196 351 1HB ASN 54 2HB ASN 54 3.096 8.002 -2.388 352 2HB ASN 54 1HB ASN 54 3.891 9.527 -2.030 353 1HD2 ASN 54 1HD2 ASN 54 6.250 8.169 -0.853 354 2HD2 ASN 54 2HD2 ASN 54 7.130 7.528 -2.204 355 H PHE 55 H PHE 55 3.274 10.410 0.631 356 HA PHE 55 HA PHE 55 6.042 11.188 1.030 357 1HB PHE 55 2HB PHE 55 5.042 13.422 1.587 358 2HB PHE 55 1HB PHE 55 4.670 12.836 -0.028 359 HD1 PHE 55 HD1 PHE 55 3.308 13.469 3.329 360 HD2 PHE 55 HD2 PHE 55 2.428 12.317 -0.674 361 HE1 PHE 55 HE1 PHE 55 0.907 13.790 3.762 362 HE2 PHE 55 HE2 PHE 55 0.030 12.638 -0.244 363 HZ PHE 55 HZ PHE 55 -0.735 13.376 1.978 364 H GLU 56 H GLU 56 4.246 9.314 2.830 365 HA GLU 56 HA GLU 56 4.317 10.755 5.327 366 1HB GLU 56 2HB GLU 56 3.534 7.904 4.730 367 2HB GLU 56 1HB GLU 56 3.382 8.683 6.303 368 1HG GLU 56 2HG GLU 56 1.979 10.444 5.056 369 2HG GLU 56 1HG GLU 56 1.878 9.238 3.772 370 HA PRO 57 HA PRO 57 8.413 10.327 6.621 371 1HB PRO 57 2HB PRO 57 7.066 9.311 9.102 372 2HB PRO 57 1HB PRO 57 8.402 10.458 8.943 373 1HG PRO 57 2HG PRO 57 5.914 11.316 9.341 374 2HG PRO 57 1HG PRO 57 7.021 12.183 8.263 375 1HD PRO 57 2HD PRO 57 4.647 10.556 7.601 376 2HD PRO 57 1HD PRO 57 5.434 11.840 6.664 377 H ASP 58 H ASP 58 6.490 7.610 7.973 378 HA ASP 58 HA ASP 58 8.337 5.815 6.588 379 1HB ASP 58 2HB ASP 58 8.788 6.139 9.172 380 2HB ASP 58 1HB ASP 58 7.443 5.009 9.320 381 H ALA 59 H ALA 59 6.286 6.103 5.262 382 HA ALA 59 HA ALA 59 3.873 4.893 5.902 383 1HB ALA 59 1HB ALA 59 5.278 4.984 3.233 384 2HB ALA 59 2HB ALA 59 4.186 6.205 3.886 385 3HB ALA 59 3HB ALA 59 3.573 4.604 3.473 386 H GLY 60 H GLY 60 6.920 3.439 4.926 387 1HA GLY 60 2HA GLY 60 5.996 0.885 4.237 388 2HA GLY 60 1HA GLY 60 7.615 1.265 4.803 389 H GLU 61 H GLU 61 6.724 2.266 7.385 390 HA GLU 61 HA GLU 61 6.834 -0.162 8.811 391 1HB GLU 61 2HB GLU 61 7.693 1.958 9.691 392 2HB GLU 61 1HB GLU 61 6.058 2.597 9.764 393 1HG GLU 61 2HG GLU 61 5.459 1.116 11.498 394 2HG GLU 61 1HG GLU 61 6.926 0.161 11.286 395 H GLY 62 H GLY 62 4.149 1.916 7.870 396 1HA GLY 62 2HA GLY 62 2.186 0.612 9.493 397 2HA GLY 62 1HA GLY 62 1.863 1.640 8.101 398 H LEU 63 H LEU 63 3.134 0.329 6.101 399 HA LEU 63 HA LEU 63 1.363 -1.736 5.396 400 1HB LEU 63 2HB LEU 63 4.123 -1.236 4.274 401 2HB LEU 63 1HB LEU 63 2.799 -2.065 3.477 402 HG LEU 63 HG LEU 63 2.775 0.863 4.224 403 1HD1 LEU 63 1HD1 LEU 63 4.440 0.447 2.526 404 2HD1 LEU 63 2HD1 LEU 63 3.050 1.278 1.830 405 3HD1 LEU 63 3HD1 LEU 63 3.269 -0.452 1.561 406 1HD2 LEU 63 1HD2 LEU 63 0.805 0.978 2.802 407 2HD2 LEU 63 2HD2 LEU 63 0.557 -0.167 4.120 408 3HD2 LEU 63 3HD2 LEU 63 0.907 -0.756 2.497 409 H ASN 64 H ASN 64 4.681 -1.779 6.630 410 HA ASN 64 HA ASN 64 5.087 -4.556 6.634 411 1HB ASN 64 2HB ASN 64 6.351 -2.203 7.841 412 2HB ASN 64 1HB ASN 64 6.528 -3.665 8.805 413 1HD2 ASN 64 1HD2 ASN 64 7.091 -2.252 5.635 414 2HD2 ASN 64 2HD2 ASN 64 8.402 -3.289 5.215 415 H ARG 65 H ARG 65 3.636 -2.404 9.024 416 HA ARG 65 HA ARG 65 3.315 -4.180 11.138 417 1HB ARG 65 2HB ARG 65 2.833 -1.796 11.340 418 2HB ARG 65 1HB ARG 65 1.483 -1.950 10.225 419 1HG ARG 65 2HG ARG 65 0.716 -1.798 12.525 420 2HG ARG 65 1HG ARG 65 0.308 -3.367 11.824 421 1HD ARG 65 2HD ARG 65 2.290 -4.335 12.921 422 2HD ARG 65 1HD ARG 65 2.622 -2.773 13.665 423 HE ARG 65 HE ARG 65 0.567 -3.017 14.923 424 1HH1 ARG 65 1HH1 ARG 65 1.699 -5.874 13.255 425 2HH1 ARG 65 2HH1 ARG 65 0.914 -6.986 14.334 426 1HH2 ARG 65 1HH2 ARG 65 -0.465 -4.474 16.372 427 2HH2 ARG 65 2HH2 ARG 65 -0.320 -6.189 16.109 428 H TYR 66 H TYR 66 1.342 -3.697 8.244 429 HA TYR 66 HA TYR 66 -0.592 -5.676 9.043 430 1HB TYR 66 2HB TYR 66 -1.157 -3.757 7.553 431 2HB TYR 66 1HB TYR 66 -0.158 -4.482 6.299 432 HD1 TYR 66 HD1 TYR 66 -3.342 -4.602 8.047 433 HD2 TYR 66 HD2 TYR 66 -0.856 -6.596 5.221 434 HE1 TYR 66 HE1 TYR 66 -5.276 -5.921 7.286 435 HE2 TYR 66 HE2 TYR 66 -2.781 -7.922 4.453 436 HH TYR 66 HH TYR 66 -5.972 -7.148 5.248 437 H ILE 67 H ILE 67 2.023 -5.570 6.617 438 HA ILE 67 HA ILE 67 1.656 -8.112 5.524 439 HB ILE 67 HB ILE 67 4.225 -6.552 5.867 440 1HG1 ILE 67 2HG1 ILE 67 2.408 -6.805 3.463 441 2HG1 ILE 67 1HG1 ILE 67 2.365 -5.455 4.595 442 1HG2 ILE 67 1HG2 ILE 67 3.643 -8.883 4.040 443 2HG2 ILE 67 2HG2 ILE 67 4.722 -8.898 5.436 444 3HG2 ILE 67 3HG2 ILE 67 5.115 -7.908 4.028 445 1HD1 ILE 67 1HD1 ILE 67 4.685 -4.920 4.012 446 2HD1 ILE 67 2HD1 ILE 67 3.611 -4.866 2.616 447 3HD1 ILE 67 3HD1 ILE 67 4.685 -6.247 2.850 448 H ARG 68 H ARG 68 3.215 -7.208 8.526 449 HA ARG 68 HA ARG 68 4.713 -9.516 8.986 450 1HB ARG 68 2HB ARG 68 5.090 -7.614 10.374 451 2HB ARG 68 1HB ARG 68 3.417 -7.590 10.911 452 1HG ARG 68 2HG ARG 68 3.715 -9.492 12.269 453 2HG ARG 68 1HG ARG 68 5.246 -9.900 11.497 454 1HD ARG 68 2HD ARG 68 4.852 -7.349 13.032 455 2HD ARG 68 1HD ARG 68 5.353 -8.848 13.813 456 HE ARG 68 HE ARG 68 7.306 -8.812 12.285 457 1HH1 ARG 68 1HH1 ARG 68 5.586 -5.840 12.997 458 2HH1 ARG 68 2HH1 ARG 68 6.965 -4.825 12.682 459 1HH2 ARG 68 1HH2 ARG 68 9.119 -7.458 11.880 460 2HH2 ARG 68 2HH2 ARG 68 8.953 -5.737 12.050 461 H THR 69 H THR 69 1.260 -8.964 9.327 462 HA THR 69 HA THR 69 1.011 -11.527 10.678 463 HB THR 69 HB THR 69 -0.350 -9.739 11.608 464 HG1 THR 69 HG1 THR 69 -1.204 -12.137 10.916 465 1HG2 THR 69 1HG2 THR 69 -0.744 -8.411 9.597 466 2HG2 THR 69 2HG2 THR 69 -2.255 -8.800 10.421 467 3HG2 THR 69 3HG2 THR 69 -1.795 -9.676 8.962 468 H SER 70 H SER 70 2.080 -12.118 8.489 469 HA SER 70 HA SER 70 1.836 -13.995 7.198 470 1HB SER 70 2HB SER 70 -0.199 -14.565 8.468 471 2HB SER 70 1HB SER 70 -1.142 -13.540 7.394 472 HG SER 70 HG SER 70 -1.377 -15.478 6.493 473 H GLY 71 H GLY 71 -0.035 -11.111 6.403 474 1HA GLY 71 2HA GLY 71 -0.171 -9.978 4.387 475 2HA GLY 71 1HA GLY 71 0.981 -11.123 3.714 476 H ILE 72 H ILE 72 -1.135 -10.259 2.180 477 HA ILE 72 HA ILE 72 -3.175 -12.356 2.383 478 HB ILE 72 HB ILE 72 -3.243 -9.789 0.783 479 1HG1 ILE 72 2HG1 ILE 72 -3.250 -9.381 3.196 480 2HG1 ILE 72 1HG1 ILE 72 -4.825 -9.017 2.499 481 1HG2 ILE 72 1HG2 ILE 72 -5.634 -10.225 0.517 482 2HG2 ILE 72 2HG2 ILE 72 -5.453 -11.762 1.364 483 3HG2 ILE 72 3HG2 ILE 72 -4.673 -11.519 -0.198 484 1HD1 ILE 72 1HD1 ILE 72 -4.089 -11.505 4.027 485 2HD1 ILE 72 2HD1 ILE 72 -5.663 -11.175 3.304 486 3HD1 ILE 72 3HD1 ILE 72 -5.067 -10.160 4.618 487 H ARG 73 H ARG 73 -0.310 -12.127 0.943 488 HA ARG 73 HA ARG 73 -0.932 -12.796 -1.760 489 1HB ARG 73 2HB ARG 73 1.215 -11.891 -1.231 490 2HB ARG 73 1HB ARG 73 1.589 -13.229 -0.165 491 1HG ARG 73 2HG ARG 73 1.673 -14.756 -2.002 492 2HG ARG 73 1HG ARG 73 1.076 -13.523 -3.110 493 1HD ARG 73 2HD ARG 73 3.114 -12.233 -2.807 494 2HD ARG 73 1HD ARG 73 3.702 -13.406 -1.629 495 HE ARG 73 HE ARG 73 3.631 -15.049 -3.544 496 1HH1 ARG 73 1HH1 ARG 73 4.090 -11.611 -4.089 497 2HH1 ARG 73 2HH1 ARG 73 4.970 -11.831 -5.560 498 1HH2 ARG 73 1HH2 ARG 73 4.812 -15.343 -5.467 499 2HH2 ARG 73 2HH2 ARG 73 5.355 -13.962 -6.368 500 H THR 74 H THR 74 -0.543 -14.583 1.187 501 HA THR 74 HA THR 74 -0.463 -17.157 -0.078 502 HB THR 74 HB THR 74 -1.162 -16.656 2.812 503 HG1 THR 74 HG1 THR 74 1.031 -16.387 3.230 504 1HG2 THR 74 1HG2 THR 74 0.433 -18.817 1.417 505 2HG2 THR 74 2HG2 THR 74 -1.223 -18.977 2.004 506 3HG2 THR 74 3HG2 THR 74 0.097 -18.739 3.147 507 H ASP 75 H ASP 75 -2.773 -15.027 -0.250 508 HA ASP 75 HA ASP 75 -5.023 -16.676 0.623 509 1HB ASP 75 2HB ASP 75 -4.924 -14.128 0.889 510 2HB ASP 75 1HB ASP 75 -5.160 -14.041 -0.851 Start of MODEL 7 1 H GLY 10 H GLY 10 11.369 3.087 5.748 2 1HA GLY 10 2HA GLY 10 9.672 4.537 6.285 3 2HA GLY 10 1HA GLY 10 10.737 5.820 5.734 4 HA PRO 11 HA PRO 11 7.698 6.453 2.506 5 1HB PRO 11 2HB PRO 11 9.788 8.004 1.160 6 2HB PRO 11 1HB PRO 11 8.218 8.534 1.764 7 1HG PRO 11 2HG PRO 11 10.532 9.257 2.950 8 2HG PRO 11 1HG PRO 11 9.028 9.014 3.858 9 1HD PRO 11 2HD PRO 11 11.399 7.209 3.592 10 2HD PRO 11 1HD PRO 11 10.381 7.534 5.011 11 H PHE 12 H PHE 12 7.305 5.570 0.542 12 HA PHE 12 HA PHE 12 9.467 3.879 -0.560 13 1HB PHE 12 2HB PHE 12 7.663 2.361 -1.327 14 2HB PHE 12 1HB PHE 12 7.722 2.531 0.423 15 HD1 PHE 12 HD1 PHE 12 5.747 3.089 -2.581 16 HD2 PHE 12 HD2 PHE 12 5.995 3.830 1.603 17 HE1 PHE 12 HE1 PHE 12 3.352 3.700 -2.539 18 HE2 PHE 12 HE2 PHE 12 3.613 4.435 1.637 19 HZ PHE 12 HZ PHE 12 2.297 4.378 -0.432 20 H THR 13 H THR 13 9.629 3.519 -2.699 21 HA THR 13 HA THR 13 9.020 5.738 -4.386 22 HB THR 13 HB THR 13 10.025 3.145 -5.470 23 HG1 THR 13 HG1 THR 13 11.445 4.843 -3.648 24 1HG2 THR 13 1HG2 THR 13 10.883 6.017 -5.746 25 2HG2 THR 13 2HG2 THR 13 9.853 5.129 -6.873 26 3HG2 THR 13 3HG2 THR 13 11.538 4.653 -6.653 27 H ARG 14 H ARG 14 7.863 5.577 -6.428 28 HA ARG 14 HA ARG 14 5.298 4.457 -6.174 29 1HB ARG 14 2HB ARG 14 6.190 6.403 -7.662 30 2HB ARG 14 1HB ARG 14 6.503 5.141 -8.835 31 1HG ARG 14 2HG ARG 14 4.170 4.550 -8.904 32 2HG ARG 14 1HG ARG 14 3.809 5.704 -7.617 33 1HD ARG 14 2HD ARG 14 4.594 7.531 -9.072 34 2HD ARG 14 1HD ARG 14 4.874 6.363 -10.362 35 HE ARG 14 HE ARG 14 2.175 6.732 -9.232 36 1HH1 ARG 14 1HH1 ARG 14 4.377 6.792 -11.945 37 2HH1 ARG 14 2HH1 ARG 14 3.131 7.046 -13.130 38 1HH2 ARG 14 1HH2 ARG 14 0.518 7.088 -10.767 39 2HH2 ARG 14 2HH2 ARG 14 0.936 7.226 -12.459 40 H ARG 15 H ARG 15 8.077 3.449 -8.161 41 HA ARG 15 HA ARG 15 6.927 1.148 -9.252 42 1HB ARG 15 2HB ARG 15 9.796 1.838 -8.643 43 2HB ARG 15 1HB ARG 15 9.322 0.368 -9.470 44 1HG ARG 15 2HG ARG 15 8.177 1.840 -11.170 45 2HG ARG 15 1HG ARG 15 9.014 3.195 -10.409 46 1HD ARG 15 2HD ARG 15 11.164 2.061 -10.816 47 2HD ARG 15 1HD ARG 15 10.302 0.760 -11.632 48 HE ARG 15 HE ARG 15 10.692 3.489 -12.618 49 1HH1 ARG 15 1HH1 ARG 15 9.355 0.283 -13.099 50 2HH1 ARG 15 2HH1 ARG 15 9.181 0.477 -14.822 51 1HH2 ARG 15 1HH2 ARG 15 10.496 3.732 -14.884 52 2HH2 ARG 15 2HH2 ARG 15 9.853 2.423 -15.839 53 H GLN 16 H GLN 16 8.564 1.663 -6.174 54 HA GLN 16 HA GLN 16 8.792 -1.031 -5.408 55 1HB GLN 16 2HB GLN 16 8.420 1.414 -3.667 56 2HB GLN 16 1HB GLN 16 8.889 -0.175 -3.081 57 1HG GLN 16 2HG GLN 16 10.462 1.606 -4.923 58 2HG GLN 16 1HG GLN 16 10.818 1.246 -3.237 59 1HE2 GLN 16 1HE2 GLN 16 12.502 0.872 -5.520 60 2HE2 GLN 16 2HE2 GLN 16 12.881 -0.816 -5.598 61 H ALA 17 H ALA 17 6.284 1.386 -4.777 62 HA ALA 17 HA ALA 17 4.514 -0.143 -3.272 63 1HB ALA 17 1HB ALA 17 2.777 1.385 -4.044 64 2HB ALA 17 2HB ALA 17 3.827 1.936 -5.348 65 3HB ALA 17 3HB ALA 17 4.257 2.266 -3.668 66 H GLN 18 H GLN 18 4.795 0.138 -6.782 67 HA GLN 18 HA GLN 18 2.616 -1.423 -7.530 68 1HB GLN 18 2HB GLN 18 5.257 -0.856 -8.852 69 2HB GLN 18 1HB GLN 18 4.004 -1.805 -9.627 70 1HG GLN 18 2HG GLN 18 3.632 1.013 -8.645 71 2HG GLN 18 1HG GLN 18 4.042 0.583 -10.303 72 1HE2 GLN 18 1HE2 GLN 18 2.180 1.476 -11.131 73 2HE2 GLN 18 2HE2 GLN 18 0.622 0.754 -10.923 74 H ALA 19 H ALA 19 5.893 -2.351 -6.657 75 HA ALA 19 HA ALA 19 5.633 -5.065 -7.483 76 1HB ALA 19 1HB ALA 19 7.762 -5.415 -6.371 77 2HB ALA 19 2HB ALA 19 7.629 -3.846 -5.580 78 3HB ALA 19 3HB ALA 19 7.809 -3.937 -7.331 79 H VAL 20 H VAL 20 4.634 -3.340 -4.653 80 HA VAL 20 HA VAL 20 4.817 -5.714 -2.954 81 HB VAL 20 HB VAL 20 3.578 -3.067 -2.190 82 1HG1 VAL 20 1HG1 VAL 20 4.152 -3.759 0.077 83 2HG1 VAL 20 2HG1 VAL 20 4.898 -5.230 -0.547 84 3HG1 VAL 20 3HG1 VAL 20 3.161 -4.982 -0.719 85 1HG2 VAL 20 1HG2 VAL 20 5.734 -2.390 -1.263 86 2HG2 VAL 20 2HG2 VAL 20 5.839 -2.616 -3.007 87 3HG2 VAL 20 3HG2 VAL 20 6.484 -3.844 -1.919 88 H THR 21 H THR 21 2.705 -3.723 -4.721 89 HA THR 21 HA THR 21 0.256 -4.827 -3.741 90 HB THR 21 HB THR 21 0.764 -3.183 -6.224 91 HG1 THR 21 HG1 THR 21 1.543 -1.946 -4.555 92 1HG2 THR 21 1HG2 THR 21 -1.420 -4.276 -6.016 93 2HG2 THR 21 2HG2 THR 21 -1.523 -2.515 -5.947 94 3HG2 THR 21 3HG2 THR 21 -1.643 -3.467 -4.468 95 H THR 22 H THR 22 2.394 -5.364 -6.522 96 HA THR 22 HA THR 22 0.608 -7.224 -7.748 97 HB THR 22 HB THR 22 2.489 -6.039 -8.968 98 HG1 THR 22 HG1 THR 22 1.346 -8.253 -9.456 99 1HG2 THR 22 1HG2 THR 22 4.299 -6.446 -7.370 100 2HG2 THR 22 2HG2 THR 22 4.696 -7.109 -8.955 101 3HG2 THR 22 3HG2 THR 22 4.171 -8.181 -7.655 102 H THR 23 H THR 23 2.968 -7.338 -5.209 103 HA THR 23 HA THR 23 2.939 -10.199 -5.000 104 HB THR 23 HB THR 23 3.720 -8.194 -2.875 105 HG1 THR 23 HG1 THR 23 5.052 -7.817 -4.622 106 1HG2 THR 23 1HG2 THR 23 4.432 -11.102 -3.278 107 2HG2 THR 23 2HG2 THR 23 3.378 -10.455 -2.024 108 3HG2 THR 23 3HG2 THR 23 5.095 -10.052 -2.026 109 H TYR 24 H TYR 24 1.509 -7.576 -2.955 110 HA TYR 24 HA TYR 24 -0.465 -9.558 -2.069 111 1HB TYR 24 2HB TYR 24 0.241 -6.921 -0.768 112 2HB TYR 24 1HB TYR 24 -0.763 -8.178 -0.096 113 HD1 TYR 24 HD1 TYR 24 0.267 -10.202 0.839 114 HD2 TYR 24 HD2 TYR 24 2.634 -7.069 -0.793 115 HE1 TYR 24 HE1 TYR 24 2.266 -11.166 1.898 116 HE2 TYR 24 HE2 TYR 24 4.639 -8.022 0.257 117 HH TYR 24 HH TYR 24 5.294 -9.479 1.985 118 H SER 25 H SER 25 -1.956 -9.397 -3.660 119 HA SER 25 HA SER 25 -2.813 -7.068 -4.940 120 1HB SER 25 2HB SER 25 -4.812 -8.602 -5.542 121 2HB SER 25 1HB SER 25 -3.202 -9.059 -6.097 122 HG SER 25 HG SER 25 -4.877 -10.428 -4.521 123 H ASN 26 H ASN 26 -3.403 -8.006 -1.783 124 HA ASN 26 HA ASN 26 -6.019 -6.831 -1.545 125 1HB ASN 26 2HB ASN 26 -5.746 -7.103 0.859 126 2HB ASN 26 1HB ASN 26 -5.266 -8.582 0.038 127 1HD2 ASN 26 1HD2 ASN 26 -4.570 -7.535 2.676 128 2HD2 ASN 26 2HD2 ASN 26 -2.848 -7.459 2.714 129 H ILE 27 H ILE 27 -2.788 -5.746 -1.673 130 HA ILE 27 HA ILE 27 -3.308 -3.129 -0.562 131 HB ILE 27 HB ILE 27 -1.084 -3.707 -2.496 132 1HG1 ILE 27 2HG1 ILE 27 -1.172 -4.627 0.369 133 2HG1 ILE 27 1HG1 ILE 27 -0.873 -5.572 -1.059 134 1HG2 ILE 27 1HG2 ILE 27 0.127 -2.086 -1.097 135 2HG2 ILE 27 2HG2 ILE 27 -1.288 -1.950 -0.052 136 3HG2 ILE 27 3HG2 ILE 27 -1.376 -1.420 -1.731 137 1HD1 ILE 27 1HD1 ILE 27 1.159 -5.168 0.228 138 2HD1 ILE 27 2HD1 ILE 27 0.944 -3.431 0.004 139 3HD1 ILE 27 3HD1 ILE 27 1.249 -4.468 -1.388 140 H THR 28 H THR 28 -3.540 -1.192 -1.869 141 HA THR 28 HA THR 28 -3.952 -1.623 -4.725 142 HB THR 28 HB THR 28 -6.082 -0.170 -4.561 143 HG1 THR 28 HG1 THR 28 -5.765 -1.057 -1.883 144 1HG2 THR 28 1HG2 THR 28 -7.511 -2.138 -4.297 145 2HG2 THR 28 2HG2 THR 28 -6.153 -3.040 -3.622 146 3HG2 THR 28 3HG2 THR 28 -6.106 -2.496 -5.300 147 H LEU 29 H LEU 29 -2.960 -0.084 -5.823 148 HA LEU 29 HA LEU 29 -2.116 2.330 -4.493 149 1HB LEU 29 2HB LEU 29 -0.787 0.981 -6.239 150 2HB LEU 29 1HB LEU 29 -1.817 1.751 -7.431 151 HG LEU 29 HG LEU 29 -0.193 3.365 -5.474 152 1HD1 LEU 29 1HD1 LEU 29 0.641 2.387 -8.198 153 2HD1 LEU 29 2HD1 LEU 29 1.345 1.904 -6.654 154 3HD1 LEU 29 3HD1 LEU 29 1.509 3.568 -7.219 155 1HD2 LEU 29 1HD2 LEU 29 -0.392 5.092 -7.189 156 2HD2 LEU 29 2HD2 LEU 29 -1.981 4.537 -6.660 157 3HD2 LEU 29 3HD2 LEU 29 -1.322 3.988 -8.201 158 H GLU 30 H GLU 30 -3.725 3.657 -4.084 159 HA GLU 30 HA GLU 30 -5.618 4.313 -6.250 160 1HB GLU 30 2HB GLU 30 -6.146 4.280 -3.265 161 2HB GLU 30 1HB GLU 30 -7.313 4.680 -4.517 162 1HG GLU 30 2HG GLU 30 -5.964 2.005 -4.411 163 2HG GLU 30 1HG GLU 30 -7.419 2.354 -3.481 164 H ASP 31 H ASP 31 -6.652 6.508 -5.874 165 HA ASP 31 HA ASP 31 -6.504 8.774 -5.611 166 1HB ASP 31 2HB ASP 31 -6.047 7.794 -3.168 167 2HB ASP 31 1HB ASP 31 -4.467 8.515 -3.443 168 H ASP 32 H ASP 32 -4.666 7.292 -7.317 169 HA ASP 32 HA ASP 32 -2.014 8.235 -7.073 170 1HB ASP 32 2HB ASP 32 -2.358 6.165 -8.195 171 2HB ASP 32 1HB ASP 32 -3.500 6.888 -9.326 172 H GLN 33 H GLN 33 -1.279 10.147 -7.472 173 HA GLN 33 HA GLN 33 -2.088 11.577 -9.878 174 1HB GLN 33 2HB GLN 33 -3.486 12.376 -7.923 175 2HB GLN 33 1HB GLN 33 -2.002 12.940 -7.181 176 1HG GLN 33 2HG GLN 33 -1.630 14.503 -8.954 177 2HG GLN 33 1HG GLN 33 -2.992 13.857 -9.868 178 1HE2 GLN 33 1HE2 GLN 33 -3.141 14.244 -6.423 179 2HE2 GLN 33 2HE2 GLN 33 -4.243 15.574 -6.417 180 H GLY 34 H GLY 34 0.187 10.211 -9.709 181 1HA GLY 34 2HA GLY 34 2.372 10.659 -10.373 182 2HA GLY 34 1HA GLY 34 2.140 12.338 -9.914 183 H SER 35 H SER 35 2.890 13.047 -7.988 184 HA SER 35 HA SER 35 4.420 11.137 -6.402 185 1HB SER 35 2HB SER 35 4.236 14.142 -6.087 186 2HB SER 35 1HB SER 35 5.438 13.072 -5.362 187 HG SER 35 HG SER 35 5.619 12.550 -7.870 188 H HIS 36 H HIS 36 1.331 12.253 -6.447 189 HA HIS 36 HA HIS 36 1.051 11.898 -3.536 190 1HB HIS 36 2HB HIS 36 -0.677 13.484 -5.448 191 2HB HIS 36 1HB HIS 36 -1.131 13.123 -3.786 192 HD1 HIS 36 HD1 HIS 36 0.518 15.626 -5.785 193 HD2 HIS 36 HD2 HIS 36 0.852 14.237 -1.876 194 HE1 HIS 36 HE1 HIS 36 1.745 17.423 -4.522 195 HE2 HIS 36 HE2 HIS 36 1.734 16.656 -2.122 196 H PHE 37 H PHE 37 0.493 9.856 -3.199 197 HA PHE 37 HA PHE 37 -1.969 8.867 -4.251 198 1HB PHE 37 2HB PHE 37 -1.082 6.828 -5.284 199 2HB PHE 37 1HB PHE 37 -0.503 8.260 -6.120 200 HD1 PHE 37 HD1 PHE 37 1.843 8.949 -5.927 201 HD2 PHE 37 HD2 PHE 37 0.418 5.357 -4.143 202 HE1 PHE 37 HE1 PHE 37 4.156 8.148 -5.701 203 HE2 PHE 37 HE2 PHE 37 2.731 4.553 -3.910 204 HZ PHE 37 HZ PHE 37 4.603 5.949 -4.691 205 H ARG 38 H ARG 38 -2.543 6.769 -3.289 206 HA ARG 38 HA ARG 38 -1.060 6.228 -0.810 207 1HB ARG 38 2HB ARG 38 -3.958 6.950 -1.104 208 2HB ARG 38 1HB ARG 38 -3.445 5.895 0.206 209 1HG ARG 38 2HG ARG 38 -1.976 7.603 1.060 210 2HG ARG 38 1HG ARG 38 -2.348 8.650 -0.310 211 1HD ARG 38 2HD ARG 38 -4.498 7.647 1.524 212 2HD ARG 38 1HD ARG 38 -3.548 9.078 1.919 213 HE ARG 38 HE ARG 38 -4.568 9.310 -0.702 214 1HH1 ARG 38 1HH1 ARG 38 -5.616 9.395 2.642 215 2HH1 ARG 38 2HH1 ARG 38 -6.920 10.510 2.325 216 1HH2 ARG 38 1HH2 ARG 38 -6.237 10.783 -1.115 217 2HH2 ARG 38 2HH2 ARG 38 -7.271 11.298 0.196 218 H LEU 39 H LEU 39 -0.887 4.180 -0.254 219 HA LEU 39 HA LEU 39 -2.167 2.176 -1.939 220 1HB LEU 39 2HB LEU 39 -0.100 1.881 0.233 221 2HB LEU 39 1HB LEU 39 -0.713 0.580 -0.745 222 HG LEU 39 HG LEU 39 0.773 2.932 -1.855 223 1HD1 LEU 39 1HD1 LEU 39 2.649 1.375 -2.070 224 2HD1 LEU 39 2HD1 LEU 39 1.719 0.142 -1.217 225 3HD1 LEU 39 3HD1 LEU 39 2.194 1.624 -0.386 226 1HD2 LEU 39 1HD2 LEU 39 -0.038 0.291 -3.055 227 2HD2 LEU 39 2HD2 LEU 39 0.963 1.512 -3.841 228 3HD2 LEU 39 3HD2 LEU 39 -0.717 1.870 -3.448 229 H VAL 40 H VAL 40 -4.058 1.504 -1.373 230 HA VAL 40 HA VAL 40 -4.886 1.629 1.427 231 HB VAL 40 HB VAL 40 -6.566 0.912 -0.984 232 1HG1 VAL 40 1HG1 VAL 40 -7.472 0.127 1.137 233 2HG1 VAL 40 2HG1 VAL 40 -8.451 1.441 0.487 234 3HG1 VAL 40 3HG1 VAL 40 -7.329 1.749 1.813 235 1HG2 VAL 40 1HG2 VAL 40 -6.217 3.582 0.384 236 2HG2 VAL 40 2HG2 VAL 40 -7.409 3.224 -0.866 237 3HG2 VAL 40 3HG2 VAL 40 -5.688 3.163 -1.246 238 H VAL 41 H VAL 41 -4.429 -0.091 2.599 239 HA VAL 41 HA VAL 41 -4.198 -2.724 1.395 240 HB VAL 41 HB VAL 41 -3.984 -1.972 4.315 241 1HG1 VAL 41 1HG1 VAL 41 -3.051 -4.390 2.784 242 2HG1 VAL 41 2HG1 VAL 41 -4.409 -4.325 3.908 243 3HG1 VAL 41 3HG1 VAL 41 -2.763 -4.083 4.495 244 1HG2 VAL 41 1HG2 VAL 41 -1.798 -2.207 2.247 245 2HG2 VAL 41 2HG2 VAL 41 -1.547 -2.018 3.983 246 3HG2 VAL 41 3HG2 VAL 41 -2.320 -0.729 3.059 247 H ARG 42 H ARG 42 -5.910 -3.973 1.154 248 HA ARG 42 HA ARG 42 -8.253 -3.503 2.876 249 1HB ARG 42 2HB ARG 42 -8.202 -4.756 0.122 250 2HB ARG 42 1HB ARG 42 -9.621 -4.296 1.050 251 1HG ARG 42 2HG ARG 42 -9.125 -1.977 0.834 252 2HG ARG 42 1HG ARG 42 -7.538 -2.322 0.150 253 1HD ARG 42 2HD ARG 42 -9.000 -1.653 -1.621 254 2HD ARG 42 1HD ARG 42 -8.665 -3.375 -1.793 255 HE ARG 42 HE ARG 42 -11.012 -3.168 -0.334 256 1HH1 ARG 42 1HH1 ARG 42 -9.896 -2.145 -3.484 257 2HH1 ARG 42 2HH1 ARG 42 -11.429 -2.404 -4.258 258 1HH2 ARG 42 1HH2 ARG 42 -13.042 -3.468 -1.324 259 2HH2 ARG 42 2HH2 ARG 42 -13.227 -3.158 -3.022 260 H ASP 43 H ASP 43 -9.589 -5.423 3.277 261 HA ASP 43 HA ASP 43 -7.858 -7.629 4.102 262 1HB ASP 43 2HB ASP 43 -9.140 -6.798 5.905 263 2HB ASP 43 1HB ASP 43 -10.594 -6.666 4.936 264 H THR 44 H THR 44 -9.265 -9.818 4.119 265 HA THR 44 HA THR 44 -9.312 -10.654 1.439 266 HB THR 44 HB THR 44 -10.490 -12.711 2.466 267 HG1 THR 44 HG1 THR 44 -10.949 -11.155 4.417 268 1HG2 THR 44 1HG2 THR 44 -8.391 -13.472 3.501 269 2HG2 THR 44 2HG2 THR 44 -7.795 -11.813 3.492 270 3HG2 THR 44 3HG2 THR 44 -8.103 -12.647 1.970 271 H GLU 45 H GLU 45 -11.759 -9.259 3.438 272 HA GLU 45 HA GLU 45 -13.929 -10.110 1.698 273 1HB GLU 45 2HB GLU 45 -14.114 -9.892 4.215 274 2HB GLU 45 1HB GLU 45 -14.026 -8.151 3.995 275 1HG GLU 45 2HG GLU 45 -16.319 -8.814 4.251 276 2HG GLU 45 1HG GLU 45 -16.060 -8.267 2.595 277 H GLY 46 H GLY 46 -11.598 -7.713 1.757 278 1HA GLY 46 2HA GLY 46 -11.269 -6.175 0.016 279 2HA GLY 46 1HA GLY 46 -12.981 -6.245 -0.348 280 H ARG 47 H ARG 47 -12.656 -5.904 2.923 281 HA ARG 47 HA ARG 47 -13.523 -3.186 2.901 282 1HB ARG 47 2HB ARG 47 -13.329 -3.450 5.404 283 2HB ARG 47 1HB ARG 47 -14.390 -4.604 4.611 284 1HG ARG 47 2HG ARG 47 -12.656 -6.296 4.713 285 2HG ARG 47 1HG ARG 47 -11.545 -5.139 5.445 286 1HD ARG 47 2HD ARG 47 -12.998 -4.954 7.392 287 2HD ARG 47 1HD ARG 47 -14.150 -6.068 6.652 288 HE ARG 47 HE ARG 47 -12.231 -7.721 6.706 289 1HH1 ARG 47 1HH1 ARG 47 -12.561 -5.139 9.055 290 2HH1 ARG 47 2HH1 ARG 47 -11.667 -5.971 10.288 291 1HH2 ARG 47 1HH2 ARG 47 -11.061 -8.818 8.330 292 2HH2 ARG 47 2HH2 ARG 47 -10.815 -8.070 9.873 293 H MET 48 H MET 48 -12.377 -1.331 3.421 294 HA MET 48 HA MET 48 -9.533 -1.419 3.119 295 1HB MET 48 2HB MET 48 -11.297 0.864 4.023 296 2HB MET 48 1HB MET 48 -9.604 1.005 3.581 297 1HG MET 48 2HG MET 48 -10.226 0.172 1.303 298 2HG MET 48 1HG MET 48 -11.914 0.312 1.792 299 1HE MET 48 1HE MET 48 -11.805 2.906 3.657 300 2HE MET 48 2HE MET 48 -13.073 2.629 2.463 301 3HE MET 48 3HE MET 48 -12.213 4.170 2.496 302 H VAL 49 H VAL 49 -8.071 -1.815 4.632 303 HA VAL 49 HA VAL 49 -8.907 -1.635 7.447 304 HB VAL 49 HB VAL 49 -6.568 -3.195 6.335 305 1HG1 VAL 49 1HG1 VAL 49 -7.999 -3.354 8.982 306 2HG1 VAL 49 2HG1 VAL 49 -6.408 -2.642 8.709 307 3HG1 VAL 49 3HG1 VAL 49 -6.656 -4.373 8.469 308 1HG2 VAL 49 1HG2 VAL 49 -8.624 -4.068 5.375 309 2HG2 VAL 49 2HG2 VAL 49 -9.350 -4.165 6.980 310 3HG2 VAL 49 3HG2 VAL 49 -7.976 -5.192 6.571 311 H TRP 50 H TRP 50 -6.597 -0.530 5.094 312 HA TRP 50 HA TRP 50 -5.544 1.436 6.924 313 1HB TRP 50 2HB TRP 50 -4.191 -0.514 7.527 314 2HB TRP 50 1HB TRP 50 -3.758 -0.761 5.843 315 HD1 TRP 50 HD1 TRP 50 -1.696 0.533 4.936 316 HE1 TRP 50 HE1 TRP 50 -0.012 2.180 5.973 317 HE3 TRP 50 HE3 TRP 50 -4.085 1.461 9.363 318 HZ2 TRP 50 HZ2 TRP 50 0.269 3.668 8.353 319 HZ3 TRP 50 HZ3 TRP 50 -3.038 3.004 10.961 320 HH2 TRP 50 HH2 TRP 50 -0.906 4.086 10.466 321 H ARG 51 H ARG 51 -4.418 3.115 5.844 322 HA ARG 51 HA ARG 51 -3.687 2.775 3.069 323 1HB ARG 51 2HB ARG 51 -4.910 4.796 2.300 324 2HB ARG 51 1HB ARG 51 -5.974 3.471 2.741 325 1HG ARG 51 2HG ARG 51 -6.641 4.533 4.737 326 2HG ARG 51 1HG ARG 51 -5.342 5.722 4.624 327 1HD ARG 51 2HD ARG 51 -7.514 6.673 4.003 328 2HD ARG 51 1HD ARG 51 -6.375 6.705 2.660 329 HE ARG 51 HE ARG 51 -8.159 4.424 2.727 330 1HH1 ARG 51 1HH1 ARG 51 -7.644 7.682 1.565 331 2HH1 ARG 51 2HH1 ARG 51 -8.734 7.521 0.228 332 1HH2 ARG 51 1HH2 ARG 51 -9.601 4.202 0.952 333 2HH2 ARG 51 2HH2 ARG 51 -9.834 5.542 -0.133 334 H ALA 52 H ALA 52 -1.909 3.938 2.584 335 HA ALA 52 HA ALA 52 -1.139 6.116 4.410 336 1HB ALA 52 1HB ALA 52 0.012 4.102 5.155 337 2HB ALA 52 2HB ALA 52 1.153 5.263 4.476 338 3HB ALA 52 3HB ALA 52 0.658 3.858 3.530 339 H TRP 53 H TRP 53 0.203 7.719 3.515 340 HA TRP 53 HA TRP 53 -0.039 8.084 0.680 341 1HB TRP 53 2HB TRP 53 1.297 9.628 2.884 342 2HB TRP 53 1HB TRP 53 1.494 10.089 1.216 343 HD1 TRP 53 HD1 TRP 53 -0.721 10.382 4.058 344 HE1 TRP 53 HE1 TRP 53 -2.786 11.771 3.449 345 HE3 TRP 53 HE3 TRP 53 -0.127 10.456 -0.979 346 HZ2 TRP 53 HZ2 TRP 53 -4.021 12.775 1.098 347 HZ3 TRP 53 HZ3 TRP 53 -1.784 11.643 -2.357 348 HH2 TRP 53 HH2 TRP 53 -3.693 12.780 -1.340 349 H ASN 54 H ASN 54 2.165 9.234 -0.108 350 HA ASN 54 HA ASN 54 4.143 7.071 -0.205 351 1HB ASN 54 2HB ASN 54 3.802 7.464 -2.412 352 2HB ASN 54 1HB ASN 54 3.145 9.067 -2.124 353 1HD2 ASN 54 1HD2 ASN 54 6.058 7.212 -2.636 354 2HD2 ASN 54 2HD2 ASN 54 7.066 8.555 -3.031 355 H PHE 55 H PHE 55 3.756 10.479 0.501 356 HA PHE 55 HA PHE 55 6.608 10.865 0.805 357 1HB PHE 55 2HB PHE 55 5.988 13.236 1.246 358 2HB PHE 55 1HB PHE 55 5.424 12.630 -0.304 359 HD1 PHE 55 HD1 PHE 55 4.403 13.614 3.089 360 HD2 PHE 55 HD2 PHE 55 3.107 12.486 -0.801 361 HE1 PHE 55 HE1 PHE 55 2.122 14.351 3.642 362 HE2 PHE 55 HE2 PHE 55 0.821 13.215 -0.257 363 HZ PHE 55 HZ PHE 55 0.327 14.149 1.969 364 H GLU 56 H GLU 56 4.416 9.519 2.764 365 HA GLU 56 HA GLU 56 4.992 10.894 5.204 366 1HB GLU 56 2HB GLU 56 3.799 8.159 4.732 367 2HB GLU 56 1HB GLU 56 3.924 8.937 6.303 368 1HG GLU 56 2HG GLU 56 2.565 10.827 5.339 369 2HG GLU 56 1HG GLU 56 2.267 9.783 3.950 370 HA PRO 57 HA PRO 57 9.089 9.423 5.768 371 1HB PRO 57 2HB PRO 57 8.515 9.806 8.654 372 2HB PRO 57 1HB PRO 57 9.793 10.506 7.656 373 1HG PRO 57 2HG PRO 57 7.725 11.984 8.436 374 2HG PRO 57 1HG PRO 57 8.405 12.159 6.807 375 1HD PRO 57 2HD PRO 57 5.921 10.733 7.681 376 2HD PRO 57 1HD PRO 57 6.195 11.749 6.249 377 H ASP 58 H ASP 58 6.367 7.879 7.173 378 HA ASP 58 HA ASP 58 7.998 5.498 7.716 379 1HB ASP 58 2HB ASP 58 6.430 5.035 9.669 380 2HB ASP 58 1HB ASP 58 7.615 6.313 9.898 381 H ALA 59 H ALA 59 6.252 6.299 5.456 382 HA ALA 59 HA ALA 59 3.695 5.174 5.643 383 1HB ALA 59 1HB ALA 59 4.467 6.728 3.870 384 2HB ALA 59 2HB ALA 59 3.616 5.315 3.252 385 3HB ALA 59 3HB ALA 59 5.375 5.399 3.155 386 H GLY 60 H GLY 60 6.723 3.788 4.409 387 1HA GLY 60 2HA GLY 60 5.626 1.296 3.674 388 2HA GLY 60 1HA GLY 60 7.327 1.624 3.953 389 H GLU 61 H GLU 61 6.711 2.522 6.747 390 HA GLU 61 HA GLU 61 7.184 0.001 7.958 391 1HB GLU 61 2HB GLU 61 8.147 2.050 8.864 392 2HB GLU 61 1HB GLU 61 6.539 2.669 9.219 393 1HG GLU 61 2HG GLU 61 6.186 0.926 10.847 394 2HG GLU 61 1HG GLU 61 7.730 0.187 10.431 395 H GLY 62 H GLY 62 4.373 2.148 7.792 396 1HA GLY 62 2HA GLY 62 2.726 0.606 9.522 397 2HA GLY 62 1HA GLY 62 2.164 1.781 8.338 398 H LEU 63 H LEU 63 3.243 0.630 6.045 399 HA LEU 63 HA LEU 63 1.288 -1.283 5.372 400 1HB LEU 63 2HB LEU 63 3.896 -0.647 3.987 401 2HB LEU 63 1HB LEU 63 2.551 -1.521 3.277 402 HG LEU 63 HG LEU 63 2.387 1.338 4.232 403 1HD1 LEU 63 1HD1 LEU 63 2.766 0.254 1.449 404 2HD1 LEU 63 2HD1 LEU 63 3.935 1.192 2.381 405 3HD1 LEU 63 3HD1 LEU 63 2.423 1.935 1.858 406 1HD2 LEU 63 1HD2 LEU 63 0.520 -0.347 2.566 407 2HD2 LEU 63 2HD2 LEU 63 0.314 1.368 2.924 408 3HD2 LEU 63 3HD2 LEU 63 0.249 0.182 4.228 409 H ASN 64 H ASN 64 4.787 -1.649 6.006 410 HA ASN 64 HA ASN 64 4.879 -4.443 5.700 411 1HB ASN 64 2HB ASN 64 6.600 -2.592 7.358 412 2HB ASN 64 1HB ASN 64 6.941 -4.305 7.154 413 1HD2 ASN 64 1HD2 ASN 64 8.593 -2.106 6.421 414 2HD2 ASN 64 2HD2 ASN 64 8.839 -2.186 4.714 415 H ARG 65 H ARG 65 4.127 -2.413 8.467 416 HA ARG 65 HA ARG 65 4.038 -4.283 10.506 417 1HB ARG 65 2HB ARG 65 3.782 -1.939 10.966 418 2HB ARG 65 1HB ARG 65 2.327 -1.848 9.989 419 1HG ARG 65 2HG ARG 65 1.079 -3.091 11.593 420 2HG ARG 65 1HG ARG 65 2.540 -3.464 12.513 421 1HD ARG 65 2HD ARG 65 2.821 -1.180 13.137 422 2HD ARG 65 1HD ARG 65 1.554 -0.661 12.027 423 HE ARG 65 HE ARG 65 -0.051 -1.732 13.497 424 1HH1 ARG 65 1HH1 ARG 65 3.177 -1.334 14.792 425 2HH1 ARG 65 2HH1 ARG 65 2.639 -1.231 16.450 426 1HH2 ARG 65 1HH2 ARG 65 -0.769 -1.601 15.680 427 2HH2 ARG 65 2HH2 ARG 65 0.404 -1.377 16.945 428 H TYR 66 H TYR 66 1.531 -3.472 8.116 429 HA TYR 66 HA TYR 66 -0.298 -5.447 9.069 430 1HB TYR 66 2HB TYR 66 -1.058 -3.525 7.743 431 2HB TYR 66 1HB TYR 66 -0.116 -4.086 6.370 432 HD1 TYR 66 HD1 TYR 66 -0.800 -6.156 5.167 433 HD2 TYR 66 HD2 TYR 66 -3.217 -4.434 8.217 434 HE1 TYR 66 HE1 TYR 66 -2.727 -7.455 4.366 435 HE2 TYR 66 HE2 TYR 66 -5.154 -5.728 7.417 436 HH TYR 66 HH TYR 66 -5.882 -6.798 5.256 437 H ILE 67 H ILE 67 1.974 -5.310 6.349 438 HA ILE 67 HA ILE 67 1.440 -7.667 5.046 439 HB ILE 67 HB ILE 67 4.115 -6.338 5.489 440 1HG1 ILE 67 2HG1 ILE 67 2.265 -6.287 3.096 441 2HG1 ILE 67 1HG1 ILE 67 2.335 -5.021 4.319 442 1HG2 ILE 67 1HG2 ILE 67 4.479 -8.659 4.875 443 2HG2 ILE 67 2HG2 ILE 67 4.907 -7.595 3.535 444 3HG2 ILE 67 3HG2 ILE 67 3.386 -8.485 3.501 445 1HD1 ILE 67 1HD1 ILE 67 4.597 -5.858 2.516 446 2HD1 ILE 67 2HD1 ILE 67 4.665 -4.588 3.738 447 3HD1 ILE 67 3HD1 ILE 67 3.603 -4.411 2.340 448 H ARG 68 H ARG 68 3.619 -7.282 7.831 449 HA ARG 68 HA ARG 68 4.791 -9.806 7.738 450 1HB ARG 68 2HB ARG 68 4.248 -8.044 10.119 451 2HB ARG 68 1HB ARG 68 5.318 -9.442 10.130 452 1HG ARG 68 2HG ARG 68 6.668 -8.400 8.385 453 2HG ARG 68 1HG ARG 68 5.607 -6.994 8.434 454 1HD ARG 68 2HD ARG 68 7.729 -6.729 9.740 455 2HD ARG 68 1HD ARG 68 6.257 -6.489 10.682 456 HE ARG 68 HE ARG 68 6.611 -8.887 11.409 457 1HH1 ARG 68 1HH1 ARG 68 9.289 -6.805 10.488 458 2HH1 ARG 68 2HH1 ARG 68 10.422 -7.616 11.536 459 1HH2 ARG 68 1HH2 ARG 68 8.118 -9.962 12.734 460 2HH2 ARG 68 2HH2 ARG 68 9.763 -9.393 12.798 461 H THR 69 H THR 69 2.006 -8.790 9.716 462 HA THR 69 HA THR 69 1.690 -11.552 10.542 463 HB THR 69 HB THR 69 1.568 -9.809 12.277 464 HG1 THR 69 HG1 THR 69 -0.847 -11.242 11.768 465 1HG2 THR 69 1HG2 THR 69 -0.377 -8.299 12.369 466 2HG2 THR 69 2HG2 THR 69 -0.901 -8.892 10.794 467 3HG2 THR 69 3HG2 THR 69 0.613 -8.002 10.938 468 H SER 70 H SER 70 0.911 -10.123 7.862 469 HA SER 70 HA SER 70 -1.728 -11.466 7.764 470 1HB SER 70 2HB SER 70 -0.861 -9.132 6.053 471 2HB SER 70 1HB SER 70 -2.456 -9.888 6.076 472 HG SER 70 HG SER 70 -1.206 -8.317 8.063 473 H GLY 71 H GLY 71 0.892 -10.415 5.644 474 1HA GLY 71 2HA GLY 71 1.537 -11.172 3.558 475 2HA GLY 71 1HA GLY 71 1.675 -12.681 4.435 476 H ILE 72 H ILE 72 -0.614 -10.691 2.548 477 HA ILE 72 HA ILE 72 -2.403 -12.975 2.281 478 HB ILE 72 HB ILE 72 -2.742 -10.192 1.140 479 1HG1 ILE 72 2HG1 ILE 72 -2.460 -10.095 3.580 480 2HG1 ILE 72 1HG1 ILE 72 -4.114 -9.713 3.119 481 1HG2 ILE 72 1HG2 ILE 72 -5.119 -10.742 1.094 482 2HG2 ILE 72 2HG2 ILE 72 -4.771 -12.347 1.737 483 3HG2 ILE 72 3HG2 ILE 72 -4.192 -11.895 0.134 484 1HD1 ILE 72 1HD1 ILE 72 -4.820 -11.956 3.755 485 2HD1 ILE 72 2HD1 ILE 72 -4.032 -11.125 5.098 486 3HD1 ILE 72 3HD1 ILE 72 -3.157 -12.359 4.191 487 H ARG 73 H ARG 73 0.354 -12.355 0.830 488 HA ARG 73 HA ARG 73 -0.230 -12.085 -1.916 489 1HB ARG 73 2HB ARG 73 2.051 -12.453 -2.318 490 2HB ARG 73 1HB ARG 73 1.967 -11.666 -0.755 491 1HG ARG 73 2HG ARG 73 2.329 -13.778 0.371 492 2HG ARG 73 1HG ARG 73 2.342 -14.617 -1.182 493 1HD ARG 73 2HD ARG 73 4.285 -13.238 -1.855 494 2HD ARG 73 1HD ARG 73 4.299 -12.526 -0.244 495 HE ARG 73 HE ARG 73 4.434 -15.363 -0.110 496 1HH1 ARG 73 1HH1 ARG 73 6.309 -12.520 -0.821 497 2HH1 ARG 73 2HH1 ARG 73 7.831 -13.239 -0.416 498 1HH2 ARG 73 1HH2 ARG 73 6.453 -16.352 0.444 499 2HH2 ARG 73 2HH2 ARG 73 7.912 -15.415 0.319 500 H THR 74 H THR 74 0.154 -14.915 0.142 501 HA THR 74 HA THR 74 -0.016 -16.775 -2.040 502 HB THR 74 HB THR 74 1.120 -17.323 0.116 503 HG1 THR 74 HG1 THR 74 0.508 -19.415 0.031 504 1HG2 THR 74 1HG2 THR 74 -1.685 -17.430 1.226 505 2HG2 THR 74 2HG2 THR 74 -0.458 -16.234 1.643 506 3HG2 THR 74 3HG2 THR 74 -0.217 -17.929 2.066 507 H ASP 75 H ASP 75 -2.142 -14.693 -0.732 508 HA ASP 75 HA ASP 75 -4.352 -14.435 -0.527 509 1HB ASP 75 2HB ASP 75 -4.484 -15.059 -2.844 510 2HB ASP 75 1HB ASP 75 -4.466 -16.768 -2.427 Start of MODEL 8 1 H GLY 10 H GLY 10 10.934 2.743 5.834 2 1HA GLY 10 2HA GLY 10 9.553 4.506 6.349 3 2HA GLY 10 1HA GLY 10 10.718 5.551 5.550 4 HA PRO 11 HA PRO 11 7.388 6.136 2.626 5 1HB PRO 11 2HB PRO 11 9.246 7.705 1.037 6 2HB PRO 11 1HB PRO 11 7.825 8.246 1.932 7 1HG PRO 11 2HG PRO 11 10.379 8.864 2.655 8 2HG PRO 11 1HG PRO 11 9.039 8.742 3.808 9 1HD PRO 11 2HD PRO 11 11.208 6.773 3.201 10 2HD PRO 11 1HD PRO 11 10.470 7.194 4.763 11 H PHE 12 H PHE 12 7.039 5.736 0.301 12 HA PHE 12 HA PHE 12 9.029 3.838 -0.745 13 1HB PHE 12 2HB PHE 12 7.125 2.513 -1.656 14 2HB PHE 12 1HB PHE 12 7.211 2.527 0.102 15 HD1 PHE 12 HD1 PHE 12 5.450 3.399 1.409 16 HD2 PHE 12 HD2 PHE 12 5.408 3.924 -2.810 17 HE1 PHE 12 HE1 PHE 12 3.119 4.155 1.534 18 HE2 PHE 12 HE2 PHE 12 3.074 4.691 -2.693 19 HZ PHE 12 HZ PHE 12 1.925 4.806 -0.518 20 H THR 13 H THR 13 9.228 3.594 -2.874 21 HA THR 13 HA THR 13 8.484 5.883 -4.481 22 HB THR 13 HB THR 13 10.085 3.563 -5.488 23 HG1 THR 13 HG1 THR 13 10.983 5.568 -3.640 24 1HG2 THR 13 1HG2 THR 13 9.602 5.442 -6.947 25 2HG2 THR 13 2HG2 THR 13 11.326 5.378 -6.571 26 3HG2 THR 13 3HG2 THR 13 10.286 6.551 -5.760 27 H ARG 14 H ARG 14 7.734 5.365 -6.795 28 HA ARG 14 HA ARG 14 5.304 3.955 -6.649 29 1HB ARG 14 2HB ARG 14 5.874 5.796 -8.284 30 2HB ARG 14 1HB ARG 14 6.777 4.602 -9.199 31 1HG ARG 14 2HG ARG 14 4.732 3.247 -9.410 32 2HG ARG 14 1HG ARG 14 3.832 4.519 -8.584 33 1HD ARG 14 2HD ARG 14 4.311 6.072 -10.363 34 2HD ARG 14 1HD ARG 14 5.359 4.895 -11.157 35 HE ARG 14 HE ARG 14 2.565 4.155 -10.729 36 1HH1 ARG 14 1HH1 ARG 14 4.989 5.334 -12.966 37 2HH1 ARG 14 2HH1 ARG 14 4.145 4.746 -14.369 38 1HH2 ARG 14 1HH2 ARG 14 1.452 3.431 -12.556 39 2HH2 ARG 14 2HH2 ARG 14 2.108 3.719 -14.142 40 H ARG 15 H ARG 15 8.318 3.167 -8.349 41 HA ARG 15 HA ARG 15 7.639 0.646 -9.300 42 1HB ARG 15 2HB ARG 15 9.799 1.973 -9.706 43 2HB ARG 15 1HB ARG 15 10.382 1.262 -8.206 44 1HG ARG 15 2HG ARG 15 9.937 -0.992 -9.210 45 2HG ARG 15 1HG ARG 15 9.604 -0.171 -10.736 46 1HD ARG 15 2HD ARG 15 11.843 -0.787 -10.921 47 2HD ARG 15 1HD ARG 15 11.921 0.902 -10.421 48 HE ARG 15 HE ARG 15 12.073 -1.167 -8.361 49 1HH1 ARG 15 1HH1 ARG 15 13.687 1.317 -10.246 50 2HH1 ARG 15 2HH1 ARG 15 15.108 1.327 -9.238 51 1HH2 ARG 15 1HH2 ARG 15 13.949 -1.168 -7.053 52 2HH2 ARG 15 2HH2 ARG 15 15.259 -0.086 -7.435 53 H GLN 16 H GLN 16 8.854 1.558 -6.109 54 HA GLN 16 HA GLN 16 9.099 -1.040 -5.048 55 1HB GLN 16 2HB GLN 16 8.504 1.577 -3.657 56 2HB GLN 16 1HB GLN 16 8.910 0.084 -2.826 57 1HG GLN 16 2HG GLN 16 10.673 1.580 -4.747 58 2HG GLN 16 1HG GLN 16 10.836 1.545 -2.992 59 1HE2 GLN 16 1HE2 GLN 16 12.708 0.738 -5.088 60 2HE2 GLN 16 2HE2 GLN 16 13.081 -0.928 -4.781 61 H ALA 17 H ALA 17 6.445 1.308 -4.960 62 HA ALA 17 HA ALA 17 4.625 -0.180 -3.433 63 1HB ALA 17 1HB ALA 17 4.028 1.775 -5.653 64 2HB ALA 17 2HB ALA 17 4.308 2.182 -3.960 65 3HB ALA 17 3HB ALA 17 2.894 1.233 -4.416 66 H GLN 18 H GLN 18 5.184 -0.158 -6.933 67 HA GLN 18 HA GLN 18 3.034 -1.765 -7.713 68 1HB GLN 18 2HB GLN 18 5.755 -1.401 -8.965 69 2HB GLN 18 1HB GLN 18 4.397 -2.189 -9.743 70 1HG GLN 18 2HG GLN 18 3.124 -0.140 -9.681 71 2HG GLN 18 1HG GLN 18 4.425 0.665 -8.804 72 1HE2 GLN 18 1HE2 GLN 18 6.463 -0.758 -10.428 73 2HE2 GLN 18 2HE2 GLN 18 6.486 0.084 -11.944 74 H ALA 19 H ALA 19 6.355 -2.638 -6.851 75 HA ALA 19 HA ALA 19 6.168 -5.374 -7.451 76 1HB ALA 19 1HB ALA 19 7.910 -4.033 -5.386 77 2HB ALA 19 2HB ALA 19 8.295 -4.215 -7.099 78 3HB ALA 19 3HB ALA 19 8.153 -5.641 -6.071 79 H VAL 20 H VAL 20 5.307 -3.556 -4.561 80 HA VAL 20 HA VAL 20 4.991 -5.928 -2.973 81 HB VAL 20 HB VAL 20 3.977 -3.175 -2.266 82 1HG1 VAL 20 1HG1 VAL 20 4.324 -3.950 0.030 83 2HG1 VAL 20 2HG1 VAL 20 4.868 -5.512 -0.581 84 3HG1 VAL 20 3HG1 VAL 20 3.204 -4.997 -0.842 85 1HG2 VAL 20 1HG2 VAL 20 6.132 -2.806 -1.151 86 2HG2 VAL 20 2HG2 VAL 20 6.317 -2.972 -2.896 87 3HG2 VAL 20 3HG2 VAL 20 6.737 -4.315 -1.834 88 H THR 21 H THR 21 2.970 -4.028 -5.078 89 HA THR 21 HA THR 21 0.533 -5.194 -4.047 90 HB THR 21 HB THR 21 -0.128 -4.225 -6.534 91 HG1 THR 21 HG1 THR 21 1.805 -2.472 -5.367 92 1HG2 THR 21 1HG2 THR 21 -0.089 -2.745 -3.917 93 2HG2 THR 21 2HG2 THR 21 -1.302 -3.940 -4.401 94 3HG2 THR 21 3HG2 THR 21 -1.146 -2.417 -5.292 95 H THR 22 H THR 22 2.737 -5.757 -6.734 96 HA THR 22 HA THR 22 1.154 -7.775 -7.934 97 HB THR 22 HB THR 22 3.466 -8.562 -8.827 98 HG1 THR 22 HG1 THR 22 4.271 -5.956 -8.085 99 1HG2 THR 22 1HG2 THR 22 1.845 -7.306 -10.154 100 2HG2 THR 22 2HG2 THR 22 3.485 -6.741 -10.473 101 3HG2 THR 22 3HG2 THR 22 2.416 -5.798 -9.438 102 H THR 23 H THR 23 3.139 -7.635 -5.130 103 HA THR 23 HA THR 23 3.083 -10.513 -4.751 104 HB THR 23 HB THR 23 3.936 -8.428 -2.742 105 HG1 THR 23 HG1 THR 23 5.189 -8.153 -4.608 106 1HG2 THR 23 1HG2 THR 23 5.289 -10.269 -1.848 107 2HG2 THR 23 2HG2 THR 23 4.654 -11.341 -3.093 108 3HG2 THR 23 3HG2 THR 23 3.576 -10.691 -1.859 109 H TYR 24 H TYR 24 1.708 -7.641 -2.977 110 HA TYR 24 HA TYR 24 -0.390 -9.465 -2.021 111 1HB TYR 24 2HB TYR 24 0.497 -6.842 -0.801 112 2HB TYR 24 1HB TYR 24 -0.651 -7.973 -0.118 113 HD1 TYR 24 HD1 TYR 24 0.131 -10.024 0.952 114 HD2 TYR 24 HD2 TYR 24 2.885 -7.269 -0.752 115 HE1 TYR 24 HE1 TYR 24 1.978 -11.160 2.107 116 HE2 TYR 24 HE2 TYR 24 4.738 -8.397 0.400 117 HH TYR 24 HH TYR 24 5.069 -9.826 2.383 118 H SER 25 H SER 25 -1.993 -9.243 -3.484 119 HA SER 25 HA SER 25 -2.544 -6.752 -4.771 120 1HB SER 25 2HB SER 25 -4.443 -8.124 -5.770 121 2HB SER 25 1HB SER 25 -2.807 -8.666 -6.127 122 HG SER 25 HG SER 25 -3.737 -10.497 -5.476 123 H ASN 26 H ASN 26 -3.224 -7.755 -1.753 124 HA ASN 26 HA ASN 26 -5.890 -6.654 -1.575 125 1HB ASN 26 2HB ASN 26 -5.694 -6.935 0.825 126 2HB ASN 26 1HB ASN 26 -5.140 -8.405 0.031 127 1HD2 ASN 26 1HD2 ASN 26 -4.581 -7.119 2.676 128 2HD2 ASN 26 2HD2 ASN 26 -2.856 -7.091 2.781 129 H ILE 27 H ILE 27 -2.616 -5.607 -1.452 130 HA ILE 27 HA ILE 27 -3.150 -2.988 -0.407 131 HB ILE 27 HB ILE 27 -0.917 -3.422 -2.331 132 1HG1 ILE 27 2HG1 ILE 27 -1.031 -4.754 0.364 133 2HG1 ILE 27 1HG1 ILE 27 -0.637 -5.451 -1.185 134 1HG2 ILE 27 1HG2 ILE 27 -1.226 -1.261 -1.271 135 2HG2 ILE 27 2HG2 ILE 27 0.286 -1.995 -0.735 136 3HG2 ILE 27 3HG2 ILE 27 -1.125 -2.010 0.322 137 1HD1 ILE 27 1HD1 ILE 27 1.427 -4.139 -1.239 138 2HD1 ILE 27 2HD1 ILE 27 1.344 -5.224 0.151 139 3HD1 ILE 27 3HD1 ILE 27 1.040 -3.500 0.360 140 H THR 28 H THR 28 -3.400 -1.064 -1.707 141 HA THR 28 HA THR 28 -3.935 -1.529 -4.542 142 HB THR 28 HB THR 28 -6.079 -0.082 -4.207 143 HG1 THR 28 HG1 THR 28 -5.565 -1.098 -1.602 144 1HG2 THR 28 1HG2 THR 28 -7.435 -2.104 -3.942 145 2HG2 THR 28 2HG2 THR 28 -6.011 -2.989 -3.397 146 3HG2 THR 28 3HG2 THR 28 -6.088 -2.374 -5.048 147 H LEU 29 H LEU 29 -3.408 0.153 -5.804 148 HA LEU 29 HA LEU 29 -2.213 2.435 -4.458 149 1HB LEU 29 2HB LEU 29 -1.287 0.977 -6.497 150 2HB LEU 29 1HB LEU 29 -2.164 2.186 -7.416 151 HG LEU 29 HG LEU 29 -0.106 2.916 -5.337 152 1HD1 LEU 29 1HD1 LEU 29 0.264 2.543 -8.299 153 2HD1 LEU 29 2HD1 LEU 29 0.965 1.544 -7.026 154 3HD1 LEU 29 3HD1 LEU 29 1.451 3.231 -7.194 155 1HD2 LEU 29 1HD2 LEU 29 -0.085 5.047 -6.451 156 2HD2 LEU 29 2HD2 LEU 29 -1.751 4.643 -6.029 157 3HD2 LEU 29 3HD2 LEU 29 -1.186 4.449 -7.688 158 H GLU 30 H GLU 30 -3.703 3.782 -3.867 159 HA GLU 30 HA GLU 30 -5.930 4.452 -5.673 160 1HB GLU 30 2HB GLU 30 -5.676 4.973 -2.700 161 2HB GLU 30 1HB GLU 30 -7.112 5.198 -3.689 162 1HG GLU 30 2HG GLU 30 -5.839 2.508 -3.423 163 2HG GLU 30 1HG GLU 30 -6.930 3.121 -2.185 164 H ASP 31 H ASP 31 -6.621 6.738 -5.630 165 HA ASP 31 HA ASP 31 -6.213 8.929 -6.023 166 1HB ASP 31 2HB ASP 31 -4.725 8.403 -3.514 167 2HB ASP 31 1HB ASP 31 -4.428 9.933 -4.331 168 H ASP 32 H ASP 32 -4.659 7.018 -7.514 169 HA ASP 32 HA ASP 32 -1.972 7.898 -7.645 170 1HB ASP 32 2HB ASP 32 -1.895 6.482 -9.705 171 2HB ASP 32 1HB ASP 32 -2.394 5.655 -8.250 172 H GLN 33 H GLN 33 -1.979 10.039 -7.944 173 HA GLN 33 HA GLN 33 -2.874 11.012 -10.576 174 1HB GLN 33 2HB GLN 33 -3.961 12.191 -8.786 175 2HB GLN 33 1HB GLN 33 -2.448 12.396 -7.922 176 1HG GLN 33 2HG GLN 33 -2.741 13.635 -10.611 177 2HG GLN 33 1HG GLN 33 -3.557 14.371 -9.232 178 1HE2 GLN 33 1HE2 GLN 33 -1.360 15.408 -10.847 179 2HE2 GLN 33 2HE2 GLN 33 -0.063 15.716 -9.744 180 H GLY 34 H GLY 34 -0.211 10.149 -8.709 181 1HA GLY 34 2HA GLY 34 1.978 10.116 -9.798 182 2HA GLY 34 1HA GLY 34 1.596 11.706 -10.452 183 H SER 35 H SER 35 1.427 13.491 -8.962 184 HA SER 35 HA SER 35 3.461 13.597 -7.023 185 1HB SER 35 2HB SER 35 1.041 15.403 -7.205 186 2HB SER 35 1HB SER 35 2.624 15.798 -6.533 187 HG SER 35 HG SER 35 3.221 15.068 -8.906 188 H HIS 36 H HIS 36 0.030 12.928 -6.871 189 HA HIS 36 HA HIS 36 0.362 12.166 -4.045 190 1HB HIS 36 2HB HIS 36 -2.133 13.009 -5.536 191 2HB HIS 36 1HB HIS 36 -2.144 12.313 -3.919 192 HD1 HIS 36 HD1 HIS 36 -3.337 15.051 -4.228 193 HD2 HIS 36 HD2 HIS 36 0.705 14.440 -3.437 194 HE1 HIS 36 HE1 HIS 36 -2.530 17.160 -3.125 195 HE2 HIS 36 HE2 HIS 36 -0.092 16.760 -2.627 196 H PHE 37 H PHE 37 -0.082 10.124 -3.465 197 HA PHE 37 HA PHE 37 -2.005 8.506 -4.663 198 1HB PHE 37 2HB PHE 37 -0.659 6.709 -5.631 199 2HB PHE 37 1HB PHE 37 -0.387 8.215 -6.489 200 HD1 PHE 37 HD1 PHE 37 1.091 5.611 -4.442 201 HD2 PHE 37 HD2 PHE 37 1.755 9.388 -6.284 202 HE1 PHE 37 HE1 PHE 37 3.516 5.299 -4.198 203 HE2 PHE 37 HE2 PHE 37 4.184 9.084 -6.042 204 HZ PHE 37 HZ PHE 37 5.067 7.036 -4.998 205 H ARG 38 H ARG 38 -2.441 6.689 -3.428 206 HA ARG 38 HA ARG 38 -0.709 6.298 -1.061 207 1HB ARG 38 2HB ARG 38 -2.799 6.084 0.308 208 2HB ARG 38 1HB ARG 38 -2.511 7.707 -0.310 209 1HG ARG 38 2HG ARG 38 -4.124 7.337 -2.088 210 2HG ARG 38 1HG ARG 38 -4.390 5.689 -1.518 211 1HD ARG 38 2HD ARG 38 -5.328 6.485 0.535 212 2HD ARG 38 1HD ARG 38 -4.892 8.150 0.145 213 HE ARG 38 HE ARG 38 -6.518 8.008 -1.711 214 1HH1 ARG 38 1HH1 ARG 38 -6.804 5.763 0.956 215 2HH1 ARG 38 2HH1 ARG 38 -8.497 5.469 0.697 216 1HH2 ARG 38 1HH2 ARG 38 -8.724 7.603 -2.076 217 2HH2 ARG 38 2HH2 ARG 38 -9.578 6.486 -1.053 218 H LEU 39 H LEU 39 -0.728 4.238 -0.156 219 HA LEU 39 HA LEU 39 -1.996 2.169 -1.811 220 1HB LEU 39 2HB LEU 39 0.206 1.935 0.229 221 2HB LEU 39 1HB LEU 39 -0.491 0.595 -0.644 222 HG LEU 39 HG LEU 39 0.911 2.893 -1.984 223 1HD1 LEU 39 1HD1 LEU 39 2.459 1.679 -0.536 224 2HD1 LEU 39 2HD1 LEU 39 2.805 1.374 -2.238 225 3HD1 LEU 39 3HD1 LEU 39 1.965 0.156 -1.278 226 1HD2 LEU 39 1HD2 LEU 39 0.043 0.174 -2.960 227 2HD2 LEU 39 2HD2 LEU 39 0.974 1.343 -3.897 228 3HD2 LEU 39 3HD2 LEU 39 -0.677 1.721 -3.403 229 H VAL 40 H VAL 40 -3.848 1.486 -1.101 230 HA VAL 40 HA VAL 40 -4.424 1.582 1.774 231 HB VAL 40 HB VAL 40 -6.334 1.041 -0.512 232 1HG1 VAL 40 1HG1 VAL 40 -8.080 1.453 1.176 233 2HG1 VAL 40 2HG1 VAL 40 -6.833 1.573 2.418 234 3HG1 VAL 40 3HG1 VAL 40 -7.090 0.047 1.571 235 1HG2 VAL 40 1HG2 VAL 40 -7.160 3.319 -0.080 236 2HG2 VAL 40 2HG2 VAL 40 -5.484 3.309 -0.630 237 3HG2 VAL 40 3HG2 VAL 40 -5.854 3.559 1.076 238 H VAL 41 H VAL 41 -3.994 -0.190 2.862 239 HA VAL 41 HA VAL 41 -3.904 -2.786 1.575 240 HB VAL 41 HB VAL 41 -3.625 -2.104 4.511 241 1HG1 VAL 41 1HG1 VAL 41 -2.916 -4.586 2.956 242 2HG1 VAL 41 2HG1 VAL 41 -4.214 -4.418 4.139 243 3HG1 VAL 41 3HG1 VAL 41 -2.531 -4.303 4.653 244 1HG2 VAL 41 1HG2 VAL 41 -1.191 -2.350 4.130 245 2HG2 VAL 41 2HG2 VAL 41 -1.884 -0.976 3.268 246 3HG2 VAL 41 3HG2 VAL 41 -1.499 -2.459 2.397 247 H ARG 42 H ARG 42 -5.843 -3.608 1.082 248 HA ARG 42 HA ARG 42 -8.029 -3.206 2.992 249 1HB ARG 42 2HB ARG 42 -8.132 -4.048 0.094 250 2HB ARG 42 1HB ARG 42 -9.524 -3.871 1.143 251 1HG ARG 42 2HG ARG 42 -9.133 -1.523 1.388 252 2HG ARG 42 1HG ARG 42 -7.620 -1.636 0.488 253 1HD ARG 42 2HD ARG 42 -8.748 -2.073 -1.535 254 2HD ARG 42 1HD ARG 42 -10.270 -2.407 -0.707 255 HE ARG 42 HE ARG 42 -10.233 0.017 -0.074 256 1HH1 ARG 42 1HH1 ARG 42 -8.556 -1.092 -2.931 257 2HH1 ARG 42 2HH1 ARG 42 -8.655 0.434 -3.750 258 1HH2 ARG 42 1HH2 ARG 42 -10.403 2.026 -1.160 259 2HH2 ARG 42 2HH2 ARG 42 -9.705 2.214 -2.741 260 H ASP 43 H ASP 43 -9.544 -4.941 3.226 261 HA ASP 43 HA ASP 43 -8.191 -7.473 3.710 262 1HB ASP 43 2HB ASP 43 -9.422 -6.758 5.574 263 2HB ASP 43 1HB ASP 43 -10.770 -6.214 4.599 264 H THR 44 H THR 44 -9.862 -9.419 3.347 265 HA THR 44 HA THR 44 -9.828 -9.700 0.522 266 HB THR 44 HB THR 44 -11.442 -11.661 1.999 267 HG1 THR 44 HG1 THR 44 -8.874 -10.869 2.865 268 1HG2 THR 44 1HG2 THR 44 -10.559 -12.034 -0.252 269 2HG2 THR 44 2HG2 THR 44 -9.892 -13.202 0.889 270 3HG2 THR 44 3HG2 THR 44 -8.916 -11.831 0.352 271 H GLU 45 H GLU 45 -12.219 -8.586 2.758 272 HA GLU 45 HA GLU 45 -14.369 -8.864 0.798 273 1HB GLU 45 2HB GLU 45 -14.700 -9.250 3.286 274 2HB GLU 45 1HB GLU 45 -14.487 -7.521 3.505 275 1HG GLU 45 2HG GLU 45 -16.416 -7.111 2.050 276 2HG GLU 45 1HG GLU 45 -16.634 -8.849 1.871 277 H GLY 46 H GLY 46 -11.839 -6.856 1.210 278 1HA GLY 46 2HA GLY 46 -11.403 -4.911 -0.012 279 2HA GLY 46 1HA GLY 46 -13.125 -4.702 -0.267 280 H ARG 47 H ARG 47 -12.520 -5.366 2.941 281 HA ARG 47 HA ARG 47 -13.314 -2.866 3.908 282 1HB ARG 47 2HB ARG 47 -11.943 -5.227 5.172 283 2HB ARG 47 1HB ARG 47 -12.303 -3.779 6.092 284 1HG ARG 47 2HG ARG 47 -14.651 -4.053 5.742 285 2HG ARG 47 1HG ARG 47 -14.370 -5.384 4.617 286 1HD ARG 47 2HD ARG 47 -13.693 -6.836 6.307 287 2HD ARG 47 1HD ARG 47 -13.364 -5.519 7.434 288 HE ARG 47 HE ARG 47 -15.837 -5.197 7.507 289 1HH1 ARG 47 1HH1 ARG 47 -14.517 -8.319 6.599 290 2HH1 ARG 47 2HH1 ARG 47 -15.894 -9.196 7.177 291 1HH2 ARG 47 1HH2 ARG 47 -17.614 -6.345 8.282 292 2HH2 ARG 47 2HH2 ARG 47 -17.660 -8.079 8.154 293 H MET 48 H MET 48 -12.232 -1.038 4.386 294 HA MET 48 HA MET 48 -9.470 -0.795 3.615 295 1HB MET 48 2HB MET 48 -10.905 1.277 5.244 296 2HB MET 48 1HB MET 48 -9.677 1.499 4.008 297 1HG MET 48 2HG MET 48 -12.488 0.585 3.460 298 2HG MET 48 1HG MET 48 -11.930 2.251 3.335 299 1HE MET 48 1HE MET 48 -12.466 1.085 -0.385 300 2HE MET 48 2HE MET 48 -12.970 2.215 0.872 301 3HE MET 48 3HE MET 48 -13.382 0.506 1.007 302 H VAL 49 H VAL 49 -8.133 -1.959 4.916 303 HA VAL 49 HA VAL 49 -8.557 -2.015 7.776 304 HB VAL 49 HB VAL 49 -6.222 -3.215 6.295 305 1HG1 VAL 49 1HG1 VAL 49 -7.605 -3.977 8.859 306 2HG1 VAL 49 2HG1 VAL 49 -6.041 -3.172 8.723 307 3HG1 VAL 49 3HG1 VAL 49 -6.241 -4.824 8.134 308 1HG2 VAL 49 1HG2 VAL 49 -8.252 -3.966 5.184 309 2HG2 VAL 49 2HG2 VAL 49 -8.937 -4.447 6.735 310 3HG2 VAL 49 3HG2 VAL 49 -7.521 -5.283 6.100 311 H TRP 50 H TRP 50 -6.263 -0.674 5.477 312 HA TRP 50 HA TRP 50 -5.433 1.376 7.275 313 1HB TRP 50 2HB TRP 50 -4.070 -0.377 8.254 314 2HB TRP 50 1HB TRP 50 -3.480 -0.864 6.670 315 HD1 TRP 50 HD1 TRP 50 -1.193 0.093 6.031 316 HE1 TRP 50 HE1 TRP 50 0.269 2.059 6.813 317 HE3 TRP 50 HE3 TRP 50 -4.422 2.229 9.368 318 HZ2 TRP 50 HZ2 TRP 50 0.088 4.220 8.617 319 HZ3 TRP 50 HZ3 TRP 50 -3.699 4.242 10.584 320 HH2 TRP 50 HH2 TRP 50 -1.488 5.216 10.215 321 H ARG 51 H ARG 51 -4.103 2.956 6.198 322 HA ARG 51 HA ARG 51 -3.292 2.436 3.479 323 1HB ARG 51 2HB ARG 51 -4.482 4.605 2.738 324 2HB ARG 51 1HB ARG 51 -5.406 3.114 2.833 325 1HG ARG 51 2HG ARG 51 -6.415 3.793 4.892 326 2HG ARG 51 1HG ARG 51 -5.362 5.209 4.996 327 1HD ARG 51 2HD ARG 51 -6.430 6.289 3.251 328 2HD ARG 51 1HD ARG 51 -7.094 4.796 2.599 329 HE ARG 51 HE ARG 51 -8.521 4.836 4.726 330 1HH1 ARG 51 1HH1 ARG 51 -7.311 7.750 3.208 331 2HH1 ARG 51 2HH1 ARG 51 -8.751 8.669 3.527 332 1HH2 ARG 51 1HH2 ARG 51 -10.445 6.039 5.116 333 2HH2 ARG 51 2HH2 ARG 51 -10.537 7.697 4.587 334 H ALA 52 H ALA 52 -1.788 3.880 2.678 335 HA ALA 52 HA ALA 52 -0.972 6.133 4.332 336 1HB ALA 52 1HB ALA 52 0.927 3.873 3.698 337 2HB ALA 52 2HB ALA 52 0.263 4.243 5.289 338 3HB ALA 52 3HB ALA 52 1.346 5.387 4.497 339 H TRP 53 H TRP 53 0.121 7.707 3.164 340 HA TRP 53 HA TRP 53 -0.091 7.461 0.291 341 1HB TRP 53 2HB TRP 53 0.767 9.805 1.995 342 2HB TRP 53 1HB TRP 53 0.434 9.847 0.288 343 HD1 TRP 53 HD1 TRP 53 -1.295 9.436 3.578 344 HE1 TRP 53 HE1 TRP 53 -3.750 10.136 3.301 345 HE3 TRP 53 HE3 TRP 53 -1.347 10.128 -1.450 346 HZ2 TRP 53 HZ2 TRP 53 -5.497 10.880 1.206 347 HZ3 TRP 53 HZ3 TRP 53 -3.439 10.837 -2.534 348 HH2 TRP 53 HH2 TRP 53 -5.473 11.205 -1.233 349 H ASN 54 H ASN 54 1.704 9.039 -0.643 350 HA ASN 54 HA ASN 54 4.174 7.541 -0.553 351 1HB ASN 54 2HB ASN 54 3.421 8.188 -2.716 352 2HB ASN 54 1HB ASN 54 3.152 9.845 -2.209 353 1HD2 ASN 54 1HD2 ASN 54 6.006 7.805 -1.676 354 2HD2 ASN 54 2HD2 ASN 54 7.092 8.815 -2.567 355 H PHE 55 H PHE 55 2.949 10.677 0.431 356 HA PHE 55 HA PHE 55 5.583 11.596 1.206 357 1HB PHE 55 2HB PHE 55 4.340 13.673 1.914 358 2HB PHE 55 1HB PHE 55 4.231 13.273 0.205 359 HD1 PHE 55 HD1 PHE 55 2.139 12.742 -0.810 360 HD2 PHE 55 HD2 PHE 55 2.402 13.361 3.394 361 HE1 PHE 55 HE1 PHE 55 -0.313 12.888 -0.681 362 HE2 PHE 55 HE2 PHE 55 -0.049 13.505 3.529 363 HZ PHE 55 HZ PHE 55 -1.412 13.268 1.487 364 H GLU 56 H GLU 56 3.978 9.357 2.572 365 HA GLU 56 HA GLU 56 3.802 10.353 5.291 366 1HB GLU 56 2HB GLU 56 3.415 7.618 4.072 367 2HB GLU 56 1HB GLU 56 3.310 7.918 5.800 368 1HG GLU 56 2HG GLU 56 1.605 9.336 3.774 369 2HG GLU 56 1HG GLU 56 1.131 7.834 4.562 370 HA PRO 57 HA PRO 57 8.167 10.224 5.865 371 1HB PRO 57 2HB PRO 57 7.943 9.819 8.659 372 2HB PRO 57 1HB PRO 57 8.150 11.352 7.810 373 1HG PRO 57 2HG PRO 57 5.680 10.083 8.860 374 2HG PRO 57 1HG PRO 57 6.082 11.801 8.686 375 1HD PRO 57 2HD PRO 57 4.353 10.600 7.034 376 2HD PRO 57 1HD PRO 57 5.478 11.844 6.445 377 H ASP 58 H ASP 58 6.223 7.752 7.557 378 HA ASP 58 HA ASP 58 8.286 5.815 6.786 379 1HB ASP 58 2HB ASP 58 8.361 6.634 9.301 380 2HB ASP 58 1HB ASP 58 7.019 5.509 9.478 381 H ALA 59 H ALA 59 6.216 5.991 5.260 382 HA ALA 59 HA ALA 59 3.799 4.797 5.966 383 1HB ALA 59 1HB ALA 59 3.443 4.478 3.608 384 2HB ALA 59 2HB ALA 59 5.172 4.626 3.287 385 3HB ALA 59 3HB ALA 59 4.259 6.019 3.862 386 H GLY 60 H GLY 60 6.822 3.367 4.886 387 1HA GLY 60 2HA GLY 60 5.952 0.768 4.368 388 2HA GLY 60 1HA GLY 60 7.590 1.219 4.802 389 H GLU 61 H GLU 61 6.768 2.250 7.468 390 HA GLU 61 HA GLU 61 7.232 -0.159 8.853 391 1HB GLU 61 2HB GLU 61 7.860 2.100 9.677 392 2HB GLU 61 1HB GLU 61 6.161 2.432 9.981 393 1HG GLU 61 2HG GLU 61 6.049 0.797 11.673 394 2HG GLU 61 1HG GLU 61 7.627 0.136 11.240 395 H GLY 62 H GLY 62 4.261 1.713 8.342 396 1HA GLY 62 2HA GLY 62 2.650 0.007 9.995 397 2HA GLY 62 1HA GLY 62 2.062 1.221 8.865 398 H LEU 63 H LEU 63 3.275 0.287 6.545 399 HA LEU 63 HA LEU 63 1.385 -1.625 5.700 400 1HB LEU 63 2HB LEU 63 3.956 -0.788 4.350 401 2HB LEU 63 1HB LEU 63 2.610 -1.607 3.583 402 HG LEU 63 HG LEU 63 2.474 1.161 4.783 403 1HD1 LEU 63 1HD1 LEU 63 2.360 1.926 2.455 404 2HD1 LEU 63 2HD1 LEU 63 2.674 0.277 1.908 405 3HD1 LEU 63 3HD1 LEU 63 3.899 1.152 2.830 406 1HD2 LEU 63 1HD2 LEU 63 0.334 0.043 4.838 407 2HD2 LEU 63 2HD2 LEU 63 0.500 -0.422 3.145 408 3HD2 LEU 63 3HD2 LEU 63 0.328 1.280 3.580 409 H ASN 64 H ASN 64 4.914 -1.923 6.228 410 HA ASN 64 HA ASN 64 5.080 -4.667 5.639 411 1HB ASN 64 2HB ASN 64 6.800 -2.884 7.359 412 2HB ASN 64 1HB ASN 64 7.173 -4.583 7.099 413 1HD2 ASN 64 1HD2 ASN 64 8.698 -2.244 6.375 414 2HD2 ASN 64 2HD2 ASN 64 8.925 -2.308 4.664 415 H ARG 65 H ARG 65 4.236 -2.965 8.581 416 HA ARG 65 HA ARG 65 4.336 -5.035 10.431 417 1HB ARG 65 2HB ARG 65 3.829 -2.646 10.950 418 2HB ARG 65 1HB ARG 65 2.224 -2.871 10.270 419 1HG ARG 65 2HG ARG 65 2.074 -2.997 12.646 420 2HG ARG 65 1HG ARG 65 1.800 -4.610 11.987 421 1HD ARG 65 2HD ARG 65 4.142 -5.187 12.468 422 2HD ARG 65 1HD ARG 65 4.384 -3.583 13.158 423 HE ARG 65 HE ARG 65 2.297 -5.287 14.302 424 1HH1 ARG 65 1HH1 ARG 65 5.444 -3.763 14.607 425 2HH1 ARG 65 2HH1 ARG 65 5.579 -4.099 16.304 426 1HH2 ARG 65 1HH2 ARG 65 2.483 -5.720 16.546 427 2HH2 ARG 65 2HH2 ARG 65 3.906 -5.193 17.400 428 H TYR 66 H TYR 66 1.628 -4.056 8.330 429 HA TYR 66 HA TYR 66 -0.020 -6.260 9.110 430 1HB TYR 66 2HB TYR 66 -0.967 -4.156 8.264 431 2HB TYR 66 1HB TYR 66 -0.189 -4.423 6.707 432 HD1 TYR 66 HD1 TYR 66 -3.049 -5.186 8.790 433 HD2 TYR 66 HD2 TYR 66 -0.958 -6.298 5.259 434 HE1 TYR 66 HE1 TYR 66 -5.042 -6.393 7.995 435 HE2 TYR 66 HE2 TYR 66 -2.938 -7.514 4.458 436 HH TYR 66 HH TYR 66 -6.009 -7.177 5.893 437 H ILE 67 H ILE 67 2.067 -5.556 6.360 438 HA ILE 67 HA ILE 67 1.508 -7.624 4.641 439 HB ILE 67 HB ILE 67 4.088 -6.209 5.256 440 1HG1 ILE 67 2HG1 ILE 67 2.306 -6.144 2.818 441 2HG1 ILE 67 1HG1 ILE 67 2.206 -4.994 4.149 442 1HG2 ILE 67 1HG2 ILE 67 3.648 -8.285 3.116 443 2HG2 ILE 67 2HG2 ILE 67 4.781 -8.375 4.465 444 3HG2 ILE 67 3HG2 ILE 67 5.027 -7.189 3.186 445 1HD1 ILE 67 1HD1 ILE 67 4.532 -4.317 3.685 446 2HD1 ILE 67 2HD1 ILE 67 3.442 -4.032 2.326 447 3HD1 ILE 67 3HD1 ILE 67 4.543 -5.409 2.298 448 H ARG 68 H ARG 68 3.700 -7.712 7.429 449 HA ARG 68 HA ARG 68 4.714 -10.288 6.837 450 1HB ARG 68 2HB ARG 68 6.004 -8.809 8.221 451 2HB ARG 68 1HB ARG 68 4.709 -8.708 9.408 452 1HG ARG 68 2HG ARG 68 4.988 -11.018 9.991 453 2HG ARG 68 1HG ARG 68 6.187 -11.234 8.717 454 1HD ARG 68 2HD ARG 68 7.642 -9.591 9.862 455 2HD ARG 68 1HD ARG 68 6.457 -9.494 11.167 456 HE ARG 68 HE ARG 68 6.963 -12.141 11.024 457 1HH1 ARG 68 1HH1 ARG 68 9.060 -9.338 11.300 458 2HH1 ARG 68 2HH1 ARG 68 10.335 -10.222 12.093 459 1HH2 ARG 68 1HH2 ARG 68 8.614 -13.277 12.099 460 2HH2 ARG 68 2HH2 ARG 68 10.057 -12.447 12.598 461 H THR 69 H THR 69 2.261 -9.232 9.208 462 HA THR 69 HA THR 69 2.028 -11.896 10.222 463 HB THR 69 HB THR 69 1.787 -10.007 11.739 464 HG1 THR 69 HG1 THR 69 -0.809 -10.949 11.880 465 1HG2 THR 69 1HG2 THR 69 -0.744 -9.366 10.221 466 2HG2 THR 69 2HG2 THR 69 0.734 -8.406 10.213 467 3HG2 THR 69 3HG2 THR 69 -0.198 -8.577 11.700 468 H SER 70 H SER 70 0.138 -9.917 8.026 469 HA SER 70 HA SER 70 -1.981 -11.912 7.989 470 1HB SER 70 2HB SER 70 -1.741 -9.330 6.433 471 2HB SER 70 1HB SER 70 -3.179 -10.343 6.559 472 HG SER 70 HG SER 70 -3.059 -9.964 8.876 473 H GLY 71 H GLY 71 0.271 -10.423 5.721 474 1HA GLY 71 2HA GLY 71 1.029 -11.051 3.647 475 2HA GLY 71 1HA GLY 71 1.144 -12.630 4.395 476 H ILE 72 H ILE 72 -0.899 -10.518 2.415 477 HA ILE 72 HA ILE 72 -2.732 -12.675 1.807 478 HB ILE 72 HB ILE 72 -2.516 -9.785 1.050 479 1HG1 ILE 72 2HG1 ILE 72 -4.910 -9.826 1.753 480 2HG1 ILE 72 1HG1 ILE 72 -4.739 -11.539 2.110 481 1HG2 ILE 72 1HG2 ILE 72 -4.374 -9.958 -0.533 482 2HG2 ILE 72 2HG2 ILE 72 -4.274 -11.719 -0.449 483 3HG2 ILE 72 3HG2 ILE 72 -2.932 -10.789 -1.115 484 1HD1 ILE 72 1HD1 ILE 72 -3.093 -11.025 3.824 485 2HD1 ILE 72 2HD1 ILE 72 -4.609 -10.170 4.116 486 3HD1 ILE 72 3HD1 ILE 72 -3.226 -9.307 3.445 487 H ARG 73 H ARG 73 0.315 -12.285 1.086 488 HA ARG 73 HA ARG 73 0.705 -12.503 -1.663 489 1HB ARG 73 2HB ARG 73 2.850 -13.524 -1.083 490 2HB ARG 73 1HB ARG 73 2.487 -12.151 -0.049 491 1HG ARG 73 2HG ARG 73 1.744 -13.672 1.717 492 2HG ARG 73 1HG ARG 73 2.124 -15.048 0.683 493 1HD ARG 73 2HD ARG 73 4.490 -14.329 0.652 494 2HD ARG 73 1HD ARG 73 4.084 -13.018 1.762 495 HE ARG 73 HE ARG 73 3.833 -14.559 3.487 496 1HH1 ARG 73 1HH1 ARG 73 4.564 -16.148 0.444 497 2HH1 ARG 73 2HH1 ARG 73 4.778 -17.719 1.169 498 1HH2 ARG 73 1HH2 ARG 73 4.140 -16.640 4.444 499 2HH2 ARG 73 2HH2 ARG 73 4.559 -17.985 3.425 500 H THR 74 H THR 74 -0.662 -14.765 0.517 501 HA THR 74 HA THR 74 -0.113 -17.106 -1.029 502 HB THR 74 HB THR 74 -0.543 -17.347 1.335 503 HG1 THR 74 HG1 THR 74 -2.478 -18.476 -0.401 504 1HG2 THR 74 1HG2 THR 74 -3.306 -16.272 0.781 505 2HG2 THR 74 2HG2 THR 74 -2.024 -15.428 1.649 506 3HG2 THR 74 3HG2 THR 74 -2.728 -16.897 2.326 507 H ASP 75 H ASP 75 -1.699 -14.483 -1.844 508 HA ASP 75 HA ASP 75 -2.913 -13.980 -3.694 509 1HB ASP 75 2HB ASP 75 -1.553 -16.105 -4.432 510 2HB ASP 75 1HB ASP 75 -3.146 -16.853 -4.449 Start of MODEL 9 1 H GLY 10 H GLY 10 11.521 4.324 5.309 2 1HA GLY 10 2HA GLY 10 8.831 3.896 5.999 3 2HA GLY 10 1HA GLY 10 9.682 5.436 6.089 4 HA PRO 11 HA PRO 11 7.406 6.634 2.438 5 1HB PRO 11 2HB PRO 11 9.567 8.140 1.306 6 2HB PRO 11 1HB PRO 11 8.115 8.732 2.105 7 1HG PRO 11 2HG PRO 11 10.653 8.969 3.145 8 2HG PRO 11 1HG PRO 11 9.169 8.986 4.114 9 1HD PRO 11 2HD PRO 11 11.121 6.769 3.668 10 2HD PRO 11 1HD PRO 11 10.196 7.183 5.127 11 H PHE 12 H PHE 12 7.075 5.680 0.579 12 HA PHE 12 HA PHE 12 9.236 3.937 -0.428 13 1HB PHE 12 2HB PHE 12 7.450 2.549 -1.407 14 2HB PHE 12 1HB PHE 12 7.287 2.708 0.338 15 HD1 PHE 12 HD1 PHE 12 5.876 3.648 -2.917 16 HD2 PHE 12 HD2 PHE 12 5.386 3.797 1.305 17 HE1 PHE 12 HE1 PHE 12 3.532 4.353 -3.214 18 HE2 PHE 12 HE2 PHE 12 3.044 4.494 1.013 19 HZ PHE 12 HZ PHE 12 2.119 4.778 -1.247 20 H THR 13 H THR 13 8.680 3.251 -2.784 21 HA THR 13 HA THR 13 8.397 5.686 -4.405 22 HB THR 13 HB THR 13 9.618 3.296 -5.627 23 HG1 THR 13 HG1 THR 13 11.021 4.752 -3.592 24 1HG2 THR 13 1HG2 THR 13 10.472 6.179 -5.409 25 2HG2 THR 13 2HG2 THR 13 9.528 5.480 -6.725 26 3HG2 THR 13 3HG2 THR 13 11.194 4.966 -6.460 27 H ARG 14 H ARG 14 7.164 5.453 -6.399 28 HA ARG 14 HA ARG 14 4.814 3.949 -6.112 29 1HB ARG 14 2HB ARG 14 5.219 6.006 -7.576 30 2HB ARG 14 1HB ARG 14 5.901 4.903 -8.757 31 1HG ARG 14 2HG ARG 14 3.786 3.682 -8.841 32 2HG ARG 14 1HG ARG 14 3.093 4.812 -7.676 33 1HD ARG 14 2HD ARG 14 3.503 6.654 -9.259 34 2HD ARG 14 1HD ARG 14 4.130 5.486 -10.423 35 HE ARG 14 HE ARG 14 1.328 5.613 -9.476 36 1HH1 ARG 14 1HH1 ARG 14 3.705 4.722 -11.913 37 2HH1 ARG 14 2HH1 ARG 14 2.501 4.192 -13.049 38 1HH2 ARG 14 1HH2 ARG 14 -0.222 4.917 -10.957 39 2HH2 ARG 14 2HH2 ARG 14 0.270 4.268 -12.501 40 H ARG 15 H ARG 15 7.626 3.462 -8.194 41 HA ARG 15 HA ARG 15 6.917 1.054 -9.380 42 1HB ARG 15 2HB ARG 15 9.637 2.104 -8.592 43 2HB ARG 15 1HB ARG 15 9.373 0.738 -9.663 44 1HG ARG 15 2HG ARG 15 8.280 2.128 -11.275 45 2HG ARG 15 1HG ARG 15 8.327 3.505 -10.174 46 1HD ARG 15 2HD ARG 15 10.054 3.587 -11.953 47 2HD ARG 15 1HD ARG 15 10.715 3.615 -10.320 48 HE ARG 15 HE ARG 15 11.716 1.590 -10.700 49 1HH1 ARG 15 1HH1 ARG 15 9.379 2.201 -13.234 50 2HH1 ARG 15 2HH1 ARG 15 9.953 0.923 -14.254 51 1HH2 ARG 15 1HH2 ARG 15 12.483 -0.102 -12.043 52 2HH2 ARG 15 2HH2 ARG 15 11.714 -0.390 -13.581 53 H GLN 16 H GLN 16 8.652 1.617 -6.335 54 HA GLN 16 HA GLN 16 9.098 -1.090 -5.710 55 1HB GLN 16 2HB GLN 16 8.979 1.406 -4.029 56 2HB GLN 16 1HB GLN 16 9.272 -0.171 -3.314 57 1HG GLN 16 2HG GLN 16 10.956 1.205 -5.396 58 2HG GLN 16 1HG GLN 16 11.358 0.979 -3.695 59 1HE2 GLN 16 1HE2 GLN 16 10.277 -1.750 -3.660 60 2HE2 GLN 16 2HE2 GLN 16 11.423 -2.734 -4.498 61 H ALA 17 H ALA 17 6.459 1.127 -4.957 62 HA ALA 17 HA ALA 17 4.966 -0.589 -3.303 63 1HB ALA 17 1HB ALA 17 4.500 1.799 -3.486 64 2HB ALA 17 2HB ALA 17 3.057 0.846 -3.845 65 3HB ALA 17 3HB ALA 17 3.981 1.576 -5.157 66 H GLN 18 H GLN 18 4.953 -0.124 -6.822 67 HA GLN 18 HA GLN 18 2.830 -1.711 -7.555 68 1HB GLN 18 2HB GLN 18 5.493 -1.347 -8.932 69 2HB GLN 18 1HB GLN 18 4.090 -2.085 -9.677 70 1HG GLN 18 2HG GLN 18 2.849 0.005 -9.406 71 2HG GLN 18 1HG GLN 18 4.271 0.741 -8.670 72 1HE2 GLN 18 1HE2 GLN 18 4.434 -1.494 -11.350 73 2HE2 GLN 18 2HE2 GLN 18 4.956 -0.341 -12.531 74 H ALA 19 H ALA 19 6.171 -2.679 -6.900 75 HA ALA 19 HA ALA 19 5.879 -5.394 -7.587 76 1HB ALA 19 1HB ALA 19 7.800 -4.145 -5.628 77 2HB ALA 19 2HB ALA 19 8.051 -4.317 -7.366 78 3HB ALA 19 3HB ALA 19 7.945 -5.750 -6.343 79 H VAL 20 H VAL 20 4.826 -3.670 -4.752 80 HA VAL 20 HA VAL 20 4.873 -6.110 -3.112 81 HB VAL 20 HB VAL 20 3.952 -3.365 -2.246 82 1HG1 VAL 20 1HG1 VAL 20 4.963 -5.753 -0.692 83 2HG1 VAL 20 2HG1 VAL 20 3.292 -5.197 -0.794 84 3HG1 VAL 20 3HG1 VAL 20 4.505 -4.197 0.003 85 1HG2 VAL 20 1HG2 VAL 20 6.205 -3.037 -1.287 86 2HG2 VAL 20 2HG2 VAL 20 6.226 -3.114 -3.048 87 3HG2 VAL 20 3HG2 VAL 20 6.748 -4.506 -2.098 88 H THR 21 H THR 21 2.985 -4.308 -5.145 89 HA THR 21 HA THR 21 0.444 -4.962 -3.865 90 HB THR 21 HB THR 21 0.884 -3.409 -6.421 91 HG1 THR 21 HG1 THR 21 2.008 -2.434 -4.594 92 1HG2 THR 21 1HG2 THR 21 -1.311 -3.335 -4.387 93 2HG2 THR 21 2HG2 THR 21 -1.369 -4.267 -5.885 94 3HG2 THR 21 3HG2 THR 21 -1.275 -2.504 -5.940 95 H THR 22 H THR 22 2.442 -5.493 -6.652 96 HA THR 22 HA THR 22 0.945 -7.433 -7.979 97 HB THR 22 HB THR 22 3.935 -7.173 -7.602 98 HG1 THR 22 HG1 THR 22 3.264 -5.383 -8.666 99 1HG2 THR 22 1HG2 THR 22 3.374 -9.402 -8.347 100 2HG2 THR 22 2HG2 THR 22 4.124 -8.492 -9.657 101 3HG2 THR 22 3HG2 THR 22 2.379 -8.745 -9.644 102 H THR 23 H THR 23 3.095 -7.570 -5.182 103 HA THR 23 HA THR 23 2.868 -10.392 -4.850 104 HB THR 23 HB THR 23 3.749 -8.319 -2.832 105 HG1 THR 23 HG1 THR 23 5.147 -8.158 -4.545 106 1HG2 THR 23 1HG2 THR 23 4.238 -11.296 -3.017 107 2HG2 THR 23 2HG2 THR 23 3.251 -10.474 -1.807 108 3HG2 THR 23 3HG2 THR 23 4.997 -10.215 -1.853 109 H TYR 24 H TYR 24 1.461 -7.608 -2.986 110 HA TYR 24 HA TYR 24 -0.646 -9.492 -2.166 111 1HB TYR 24 2HB TYR 24 0.392 -7.041 -0.717 112 2HB TYR 24 1HB TYR 24 -0.890 -8.091 -0.150 113 HD1 TYR 24 HD1 TYR 24 2.679 -7.574 -0.393 114 HD2 TYR 24 HD2 TYR 24 -0.333 -10.435 0.479 115 HE1 TYR 24 HE1 TYR 24 4.364 -9.008 0.685 116 HE2 TYR 24 HE2 TYR 24 1.333 -11.871 1.561 117 HH TYR 24 HH TYR 24 3.818 -12.227 1.408 118 H SER 25 H SER 25 -2.135 -9.072 -3.778 119 HA SER 25 HA SER 25 -2.603 -6.421 -4.696 120 1HB SER 25 2HB SER 25 -4.135 -8.968 -5.176 121 2HB SER 25 1HB SER 25 -4.340 -7.470 -6.068 122 HG SER 25 HG SER 25 -1.863 -7.794 -6.287 123 H ASN 26 H ASN 26 -3.426 -7.782 -1.843 124 HA ASN 26 HA ASN 26 -5.972 -6.504 -1.524 125 1HB ASN 26 2HB ASN 26 -5.882 -7.069 0.761 126 2HB ASN 26 1HB ASN 26 -5.060 -8.398 -0.040 127 1HD2 ASN 26 1HD2 ASN 26 -2.563 -6.994 -0.448 128 2HD2 ASN 26 2HD2 ASN 26 -1.835 -6.801 1.101 129 H ILE 27 H ILE 27 -2.721 -5.541 -1.657 130 HA ILE 27 HA ILE 27 -3.152 -2.940 -0.445 131 HB ILE 27 HB ILE 27 -0.875 -3.505 -2.308 132 1HG1 ILE 27 2HG1 ILE 27 -1.030 -4.606 0.497 133 2HG1 ILE 27 1HG1 ILE 27 -0.816 -5.500 -0.979 134 1HG2 ILE 27 1HG2 ILE 27 0.340 -2.038 -0.768 135 2HG2 ILE 27 2HG2 ILE 27 -1.082 -1.956 0.272 136 3HG2 ILE 27 3HG2 ILE 27 -1.141 -1.280 -1.355 137 1HD1 ILE 27 1HD1 ILE 27 1.148 -3.552 0.190 138 2HD1 ILE 27 2HD1 ILE 27 1.368 -4.477 -1.295 139 3HD1 ILE 27 3HD1 ILE 27 1.261 -5.311 0.258 140 H THR 28 H THR 28 -3.247 -0.989 -1.771 141 HA THR 28 HA THR 28 -3.637 -1.506 -4.626 142 HB THR 28 HB THR 28 -5.575 0.173 -4.565 143 HG1 THR 28 HG1 THR 28 -5.502 -0.642 -1.829 144 1HG2 THR 28 1HG2 THR 28 -5.974 -2.567 -3.360 145 2HG2 THR 28 2HG2 THR 28 -5.888 -2.195 -5.082 146 3HG2 THR 28 3HG2 THR 28 -7.226 -1.578 -4.113 147 H LEU 29 H LEU 29 -2.269 -0.278 -5.670 148 HA LEU 29 HA LEU 29 -1.376 2.246 -4.573 149 1HB LEU 29 2HB LEU 29 0.018 0.546 -5.971 150 2HB LEU 29 1HB LEU 29 -0.784 1.269 -7.352 151 HG LEU 29 HG LEU 29 0.847 2.848 -5.360 152 1HD1 LEU 29 1HD1 LEU 29 2.609 2.832 -7.073 153 2HD1 LEU 29 2HD1 LEU 29 1.653 1.691 -8.021 154 3HD1 LEU 29 3HD1 LEU 29 2.272 1.222 -6.438 155 1HD2 LEU 29 1HD2 LEU 29 0.904 4.515 -7.177 156 2HD2 LEU 29 2HD2 LEU 29 -0.731 4.206 -6.594 157 3HD2 LEU 29 3HD2 LEU 29 -0.188 3.501 -8.117 158 H GLU 30 H GLU 30 -2.924 3.710 -4.587 159 HA GLU 30 HA GLU 30 -4.352 4.211 -7.103 160 1HB GLU 30 2HB GLU 30 -5.624 4.114 -4.359 161 2HB GLU 30 1HB GLU 30 -6.440 4.562 -5.849 162 1HG GLU 30 2HG GLU 30 -5.281 1.856 -5.209 163 2HG GLU 30 1HG GLU 30 -6.987 2.289 -5.183 164 H ASP 31 H ASP 31 -5.835 6.298 -6.493 165 HA ASP 31 HA ASP 31 -5.936 8.519 -6.021 166 1HB ASP 31 2HB ASP 31 -5.244 7.685 -3.707 167 2HB ASP 31 1HB ASP 31 -3.602 8.145 -4.137 168 H ASP 32 H ASP 32 -3.909 7.164 -7.904 169 HA ASP 32 HA ASP 32 -1.627 8.716 -8.210 170 1HB ASP 32 2HB ASP 32 -3.312 7.386 -10.342 171 2HB ASP 32 1HB ASP 32 -1.689 7.998 -10.583 172 H GLN 33 H GLN 33 -1.968 10.915 -7.988 173 HA GLN 33 HA GLN 33 -3.638 12.164 -10.072 174 1HB GLN 33 2HB GLN 33 -4.352 12.259 -7.562 175 2HB GLN 33 1HB GLN 33 -3.086 13.471 -7.429 176 1HG GLN 33 2HG GLN 33 -5.208 14.541 -7.762 177 2HG GLN 33 1HG GLN 33 -4.191 14.786 -9.181 178 1HE2 GLN 33 1HE2 GLN 33 -5.778 11.748 -8.518 179 2HE2 GLN 33 2HE2 GLN 33 -6.930 11.837 -9.805 180 H GLY 34 H GLY 34 -0.613 11.507 -9.476 181 1HA GLY 34 2HA GLY 34 0.963 12.672 -10.979 182 2HA GLY 34 1HA GLY 34 0.341 14.173 -10.312 183 H SER 35 H SER 35 0.900 14.777 -8.186 184 HA SER 35 HA SER 35 3.540 13.778 -7.480 185 1HB SER 35 2HB SER 35 3.017 16.248 -7.687 186 2HB SER 35 1HB SER 35 2.047 16.087 -6.224 187 HG SER 35 HG SER 35 4.585 15.029 -6.020 188 H HIS 36 H HIS 36 0.296 13.398 -6.464 189 HA HIS 36 HA HIS 36 1.297 12.081 -4.042 190 1HB HIS 36 2HB HIS 36 -0.724 12.639 -2.819 191 2HB HIS 36 1HB HIS 36 0.074 14.099 -3.378 192 HD1 HIS 36 HD1 HIS 36 -3.048 12.040 -3.887 193 HD2 HIS 36 HD2 HIS 36 -1.410 15.665 -5.135 194 HE1 HIS 36 HE1 HIS 36 -4.940 13.329 -4.913 195 HE2 HIS 36 HE2 HIS 36 -3.977 15.593 -5.456 196 H PHE 37 H PHE 37 0.466 10.189 -3.471 197 HA PHE 37 HA PHE 37 -1.876 9.014 -4.537 198 1HB PHE 37 2HB PHE 37 -0.775 7.068 -5.632 199 2HB PHE 37 1HB PHE 37 -0.492 8.574 -6.494 200 HD1 PHE 37 HD1 PHE 37 1.013 5.893 -4.534 201 HD2 PHE 37 HD2 PHE 37 1.715 9.574 -6.554 202 HE1 PHE 37 HE1 PHE 37 3.434 5.455 -4.491 203 HE2 PHE 37 HE2 PHE 37 4.133 9.142 -6.511 204 HZ PHE 37 HZ PHE 37 4.996 7.078 -5.482 205 H ARG 38 H ARG 38 -1.963 6.631 -3.646 206 HA ARG 38 HA ARG 38 -0.333 6.284 -1.269 207 1HB ARG 38 2HB ARG 38 -2.330 6.219 0.253 208 2HB ARG 38 1HB ARG 38 -1.867 7.814 -0.322 209 1HG ARG 38 2HG ARG 38 -3.676 7.724 -1.981 210 2HG ARG 38 1HG ARG 38 -4.147 6.140 -1.354 211 1HD ARG 38 2HD ARG 38 -4.732 7.052 0.754 212 2HD ARG 38 1HD ARG 38 -3.989 8.601 0.369 213 HE ARG 38 HE ARG 38 -5.978 8.179 -1.513 214 1HH1 ARG 38 1HH1 ARG 38 -5.763 8.568 1.965 215 2HH1 ARG 38 2HH1 ARG 38 -7.315 9.342 2.101 216 1HH2 ARG 38 1HH2 ARG 38 -8.023 9.177 -1.339 217 2HH2 ARG 38 2HH2 ARG 38 -8.608 9.676 0.228 218 H LEU 39 H LEU 39 -0.682 4.314 -0.161 219 HA LEU 39 HA LEU 39 -1.831 2.227 -1.883 220 1HB LEU 39 2HB LEU 39 0.188 2.089 0.349 221 2HB LEU 39 1HB LEU 39 -0.500 0.678 -0.403 222 HG LEU 39 HG LEU 39 1.079 2.750 -1.908 223 1HD1 LEU 39 1HD1 LEU 39 2.901 1.118 -1.873 224 2HD1 LEU 39 2HD1 LEU 39 1.952 0.081 -0.810 225 3HD1 LEU 39 3HD1 LEU 39 2.492 1.662 -0.245 226 1HD2 LEU 39 1HD2 LEU 39 -0.522 1.401 -3.218 227 2HD2 LEU 39 2HD2 LEU 39 0.284 -0.059 -2.645 228 3HD2 LEU 39 3HD2 LEU 39 1.159 1.094 -3.651 229 H VAL 40 H VAL 40 -3.762 1.521 -1.337 230 HA VAL 40 HA VAL 40 -4.639 1.773 1.459 231 HB VAL 40 HB VAL 40 -6.314 1.101 -0.971 232 1HG1 VAL 40 1HG1 VAL 40 -7.279 0.345 1.139 233 2HG1 VAL 40 2HG1 VAL 40 -8.210 1.688 0.473 234 3HG1 VAL 40 3HG1 VAL 40 -7.098 1.964 1.814 235 1HG2 VAL 40 1HG2 VAL 40 -5.327 3.333 -1.188 236 2HG2 VAL 40 2HG2 VAL 40 -5.961 3.767 0.400 237 3HG2 VAL 40 3HG2 VAL 40 -7.070 3.421 -0.927 238 H VAL 41 H VAL 41 -4.307 0.004 2.668 239 HA VAL 41 HA VAL 41 -4.218 -2.621 1.402 240 HB VAL 41 HB VAL 41 -3.809 -1.904 4.312 241 1HG1 VAL 41 1HG1 VAL 41 -3.188 -4.412 2.753 242 2HG1 VAL 41 2HG1 VAL 41 -4.440 -4.228 3.980 243 3HG1 VAL 41 3HG1 VAL 41 -2.738 -4.117 4.434 244 1HG2 VAL 41 1HG2 VAL 41 -1.785 -2.344 2.114 245 2HG2 VAL 41 2HG2 VAL 41 -1.403 -2.160 3.828 246 3HG2 VAL 41 3HG2 VAL 41 -2.124 -0.820 2.935 247 H ARG 42 H ARG 42 -5.921 -3.897 1.300 248 HA ARG 42 HA ARG 42 -8.272 -3.268 2.960 249 1HB ARG 42 2HB ARG 42 -8.164 -4.949 0.446 250 2HB ARG 42 1HB ARG 42 -9.599 -4.309 1.238 251 1HG ARG 42 2HG ARG 42 -9.040 -2.076 0.615 252 2HG ARG 42 1HG ARG 42 -7.455 -2.581 0.025 253 1HD ARG 42 2HD ARG 42 -8.729 -2.333 -1.917 254 2HD ARG 42 1HD ARG 42 -8.750 -4.069 -1.615 255 HE ARG 42 HE ARG 42 -10.996 -2.871 -0.396 256 1HH1 ARG 42 1HH1 ARG 42 -9.741 -3.781 -3.531 257 2HH1 ARG 42 2HH1 ARG 42 -11.300 -3.829 -4.291 258 1HH2 ARG 42 1HH2 ARG 42 -13.061 -2.940 -1.385 259 2HH2 ARG 42 2HH2 ARG 42 -13.187 -3.354 -3.073 260 H ASP 43 H ASP 43 -9.575 -5.204 3.649 261 HA ASP 43 HA ASP 43 -7.777 -7.269 4.637 262 1HB ASP 43 2HB ASP 43 -9.429 -7.843 6.186 263 2HB ASP 43 1HB ASP 43 -9.663 -6.115 6.004 264 H THR 44 H THR 44 -9.368 -9.447 4.802 265 HA THR 44 HA THR 44 -8.953 -10.624 2.282 266 HB THR 44 HB THR 44 -10.390 -12.513 3.336 267 HG1 THR 44 HG1 THR 44 -11.437 -11.560 4.999 268 1HG2 THR 44 1HG2 THR 44 -7.851 -11.575 4.676 269 2HG2 THR 44 2HG2 THR 44 -7.945 -12.545 3.206 270 3HG2 THR 44 3HG2 THR 44 -8.510 -13.208 4.739 271 H GLU 45 H GLU 45 -11.666 -8.937 3.594 272 HA GLU 45 HA GLU 45 -13.488 -10.005 1.589 273 1HB GLU 45 2HB GLU 45 -14.210 -9.568 3.953 274 2HB GLU 45 1HB GLU 45 -13.990 -7.850 3.645 275 1HG GLU 45 2HG GLU 45 -15.694 -7.928 1.915 276 2HG GLU 45 1HG GLU 45 -15.892 -9.662 2.170 277 H GLY 46 H GLY 46 -11.583 -7.156 2.265 278 1HA GLY 46 2HA GLY 46 -10.968 -5.859 0.248 279 2HA GLY 46 1HA GLY 46 -12.659 -5.949 -0.214 280 H ARG 47 H ARG 47 -12.343 -5.541 3.112 281 HA ARG 47 HA ARG 47 -13.230 -2.803 2.943 282 1HB ARG 47 2HB ARG 47 -12.605 -4.482 5.380 283 2HB ARG 47 1HB ARG 47 -13.527 -2.994 5.339 284 1HG ARG 47 2HG ARG 47 -15.257 -4.116 4.000 285 2HG ARG 47 1HG ARG 47 -14.334 -5.617 4.110 286 1HD ARG 47 2HD ARG 47 -14.486 -5.398 6.611 287 2HD ARG 47 1HD ARG 47 -15.626 -4.077 6.357 288 HE ARG 47 HE ARG 47 -16.454 -6.368 4.912 289 1HH1 ARG 47 1HH1 ARG 47 -16.325 -5.065 8.168 290 2HH1 ARG 47 2HH1 ARG 47 -17.586 -6.107 8.762 291 1HH2 ARG 47 1HH2 ARG 47 -18.096 -7.709 5.669 292 2HH2 ARG 47 2HH2 ARG 47 -18.607 -7.617 7.332 293 H MET 48 H MET 48 -11.905 -1.054 3.142 294 HA MET 48 HA MET 48 -9.099 -1.414 3.283 295 1HB MET 48 2HB MET 48 -8.991 1.073 3.456 296 2HB MET 48 1HB MET 48 -9.892 0.478 2.078 297 1HG MET 48 2HG MET 48 -11.176 1.408 4.632 298 2HG MET 48 1HG MET 48 -10.877 2.455 3.247 299 1HE MET 48 1HE MET 48 -14.760 1.919 3.158 300 2HE MET 48 2HE MET 48 -13.463 3.113 3.166 301 3HE MET 48 3HE MET 48 -13.725 2.087 4.577 302 H VAL 49 H VAL 49 -7.903 -1.809 4.952 303 HA VAL 49 HA VAL 49 -8.945 -1.251 7.632 304 HB VAL 49 HB VAL 49 -6.526 -2.894 6.849 305 1HG1 VAL 49 1HG1 VAL 49 -8.039 -2.727 9.459 306 2HG1 VAL 49 2HG1 VAL 49 -6.449 -2.035 9.139 307 3HG1 VAL 49 3HG1 VAL 49 -6.667 -3.786 9.120 308 1HG2 VAL 49 1HG2 VAL 49 -7.936 -4.858 7.267 309 2HG2 VAL 49 2HG2 VAL 49 -8.561 -3.879 5.940 310 3HG2 VAL 49 3HG2 VAL 49 -9.326 -3.802 7.527 311 H TRP 50 H TRP 50 -6.289 -0.505 5.462 312 HA TRP 50 HA TRP 50 -5.614 1.810 7.023 313 1HB TRP 50 2HB TRP 50 -4.330 0.158 8.267 314 2HB TRP 50 1HB TRP 50 -3.605 -0.441 6.778 315 HD1 TRP 50 HD1 TRP 50 -1.259 0.460 6.352 316 HE1 TRP 50 HE1 TRP 50 0.074 2.557 7.027 317 HE3 TRP 50 HE3 TRP 50 -4.905 2.929 8.941 318 HZ2 TRP 50 HZ2 TRP 50 -0.368 4.945 8.472 319 HZ3 TRP 50 HZ3 TRP 50 -4.372 5.110 9.938 320 HH2 TRP 50 HH2 TRP 50 -2.150 6.095 9.704 321 H ARG 51 H ARG 51 -5.376 3.325 5.558 322 HA ARG 51 HA ARG 51 -3.926 2.658 3.083 323 1HB ARG 51 2HB ARG 51 -5.040 4.633 2.081 324 2HB ARG 51 1HB ARG 51 -6.175 3.396 2.595 325 1HG ARG 51 2HG ARG 51 -6.600 4.708 4.652 326 2HG ARG 51 1HG ARG 51 -5.552 5.977 4.016 327 1HD ARG 51 2HD ARG 51 -7.028 6.175 2.055 328 2HD ARG 51 1HD ARG 51 -8.088 4.951 2.751 329 HE ARG 51 HE ARG 51 -7.660 7.145 4.535 330 1HH1 ARG 51 1HH1 ARG 51 -9.511 6.097 1.737 331 2HH1 ARG 51 2HH1 ARG 51 -10.817 7.207 2.040 332 1HH2 ARG 51 1HH2 ARG 51 -9.351 8.589 4.921 333 2HH2 ARG 51 2HH2 ARG 51 -10.729 8.631 3.859 334 H ALA 52 H ALA 52 -2.048 3.619 2.702 335 HA ALA 52 HA ALA 52 -1.247 5.809 4.504 336 1HB ALA 52 1HB ALA 52 -0.167 3.717 5.163 337 2HB ALA 52 2HB ALA 52 1.008 4.886 4.559 338 3HB ALA 52 3HB ALA 52 0.495 3.542 3.536 339 H TRP 53 H TRP 53 -0.050 7.459 3.630 340 HA TRP 53 HA TRP 53 -0.287 7.792 0.786 341 1HB TRP 53 2HB TRP 53 0.774 9.534 2.999 342 2HB TRP 53 1HB TRP 53 0.842 10.014 1.326 343 HD1 TRP 53 HD1 TRP 53 -1.415 9.745 4.200 344 HE1 TRP 53 HE1 TRP 53 -3.689 10.807 3.627 345 HE3 TRP 53 HE3 TRP 53 -0.746 10.346 -0.788 346 HZ2 TRP 53 HZ2 TRP 53 -5.029 11.770 1.331 347 HZ3 TRP 53 HZ3 TRP 53 -2.555 11.344 -2.119 348 HH2 TRP 53 HH2 TRP 53 -4.652 12.041 -1.082 349 H ASN 54 H ASN 54 1.848 9.262 0.163 350 HA ASN 54 HA ASN 54 3.918 7.192 -0.021 351 1HB ASN 54 2HB ASN 54 2.939 8.009 -2.139 352 2HB ASN 54 1HB ASN 54 3.485 9.635 -1.757 353 1HD2 ASN 54 1HD2 ASN 54 5.231 6.654 -1.183 354 2HD2 ASN 54 2HD2 ASN 54 6.532 6.986 -2.274 355 H PHE 55 H PHE 55 3.342 10.443 1.053 356 HA PHE 55 HA PHE 55 6.178 11.028 1.286 357 1HB PHE 55 2HB PHE 55 5.376 13.288 2.034 358 2HB PHE 55 1HB PHE 55 4.846 12.822 0.422 359 HD1 PHE 55 HD1 PHE 55 2.533 12.439 -0.068 360 HD2 PHE 55 HD2 PHE 55 3.781 13.384 3.892 361 HE1 PHE 55 HE1 PHE 55 0.192 12.891 0.561 362 HE2 PHE 55 HE2 PHE 55 1.451 13.839 4.520 363 HZ PHE 55 HZ PHE 55 -0.346 13.594 2.856 364 H GLU 56 H GLU 56 4.161 9.294 3.107 365 HA GLU 56 HA GLU 56 4.639 10.423 5.694 366 1HB GLU 56 2HB GLU 56 3.618 7.703 4.869 367 2HB GLU 56 1HB GLU 56 3.713 8.259 6.534 368 1HG GLU 56 2HG GLU 56 2.229 10.178 5.852 369 2HG GLU 56 1HG GLU 56 1.992 9.335 4.323 370 HA PRO 57 HA PRO 57 8.769 9.089 6.128 371 1HB PRO 57 2HB PRO 57 8.987 9.241 8.840 372 2HB PRO 57 1HB PRO 57 8.971 10.657 7.782 373 1HG PRO 57 2HG PRO 57 6.733 9.449 9.364 374 2HG PRO 57 1HG PRO 57 7.172 11.157 9.176 375 1HD PRO 57 2HD PRO 57 5.156 10.054 7.787 376 2HD PRO 57 1HD PRO 57 6.198 11.308 7.083 377 H ASP 58 H ASP 58 6.162 7.302 7.423 378 HA ASP 58 HA ASP 58 7.909 4.958 7.663 379 1HB ASP 58 2HB ASP 58 6.860 4.218 9.686 380 2HB ASP 58 1HB ASP 58 7.401 5.868 9.944 381 H ALA 59 H ALA 59 6.108 5.911 5.562 382 HA ALA 59 HA ALA 59 3.566 4.800 5.602 383 1HB ALA 59 1HB ALA 59 5.410 5.110 3.233 384 2HB ALA 59 2HB ALA 59 4.338 6.351 3.881 385 3HB ALA 59 3HB ALA 59 3.660 4.892 3.163 386 H GLY 60 H GLY 60 6.609 3.368 4.426 387 1HA GLY 60 2HA GLY 60 5.404 0.893 3.682 388 2HA GLY 60 1HA GLY 60 7.125 1.200 3.858 389 H GLU 61 H GLU 61 6.734 2.092 6.677 390 HA GLU 61 HA GLU 61 7.232 -0.482 7.790 391 1HB GLU 61 2HB GLU 61 8.318 1.674 8.531 392 2HB GLU 61 1HB GLU 61 6.798 2.084 9.317 393 1HG GLU 61 2HG GLU 61 6.973 0.160 10.753 394 2HG GLU 61 1HG GLU 61 8.426 -0.373 9.909 395 H GLY 62 H GLY 62 4.501 1.736 7.785 396 1HA GLY 62 2HA GLY 62 2.964 0.235 9.689 397 2HA GLY 62 1HA GLY 62 2.351 1.485 8.614 398 H LEU 63 H LEU 63 3.166 0.358 6.183 399 HA LEU 63 HA LEU 63 1.036 -1.433 5.665 400 1HB LEU 63 2HB LEU 63 3.470 -0.838 3.980 401 2HB LEU 63 1HB LEU 63 1.978 -1.569 3.418 402 HG LEU 63 HG LEU 63 2.214 1.240 4.504 403 1HD1 LEU 63 1HD1 LEU 63 3.374 0.996 2.382 404 2HD1 LEU 63 2HD1 LEU 63 1.898 1.943 2.195 405 3HD1 LEU 63 3HD1 LEU 63 1.938 0.261 1.670 406 1HD2 LEU 63 1HD2 LEU 63 -0.078 -0.177 3.152 407 2HD2 LEU 63 2HD2 LEU 63 -0.049 1.518 3.641 408 3HD2 LEU 63 3HD2 LEU 63 0.013 0.245 4.861 409 H ASN 64 H ASN 64 4.566 -1.891 5.893 410 HA ASN 64 HA ASN 64 4.585 -4.666 5.464 411 1HB ASN 64 2HB ASN 64 6.466 -2.870 6.998 412 2HB ASN 64 1HB ASN 64 6.748 -4.597 6.827 413 1HD2 ASN 64 1HD2 ASN 64 8.312 -2.336 5.885 414 2HD2 ASN 64 2HD2 ASN 64 8.468 -2.528 4.176 415 H ARG 65 H ARG 65 3.956 -2.758 8.338 416 HA ARG 65 HA ARG 65 3.974 -4.760 10.278 417 1HB ARG 65 2HB ARG 65 3.773 -2.391 10.826 418 2HB ARG 65 1HB ARG 65 2.211 -2.313 10.032 419 1HG ARG 65 2HG ARG 65 2.529 -4.221 12.279 420 2HG ARG 65 1HG ARG 65 2.454 -2.499 12.652 421 1HD ARG 65 2HD ARG 65 0.401 -4.149 11.184 422 2HD ARG 65 1HD ARG 65 0.234 -3.407 12.776 423 HE ARG 65 HE ARG 65 0.693 -1.651 10.478 424 1HH1 ARG 65 1HH1 ARG 65 -1.509 -2.886 12.916 425 2HH1 ARG 65 2HH1 ARG 65 -2.707 -1.667 12.626 426 1HH2 ARG 65 1HH2 ARG 65 -0.912 -0.047 10.095 427 2HH2 ARG 65 2HH2 ARG 65 -2.381 -0.067 11.019 428 H TYR 66 H TYR 66 1.361 -3.706 8.106 429 HA TYR 66 HA TYR 66 -0.520 -5.648 8.981 430 1HB TYR 66 2HB TYR 66 -1.112 -3.600 7.683 431 2HB TYR 66 1HB TYR 66 -0.333 -4.302 6.272 432 HD1 TYR 66 HD1 TYR 66 -1.265 -6.593 5.461 433 HD2 TYR 66 HD2 TYR 66 -3.382 -3.946 8.037 434 HE1 TYR 66 HE1 TYR 66 -3.376 -7.677 4.825 435 HE2 TYR 66 HE2 TYR 66 -5.505 -5.027 7.412 436 HH TYR 66 HH TYR 66 -6.248 -6.413 5.146 437 H ILE 67 H ILE 67 1.628 -5.529 6.160 438 HA ILE 67 HA ILE 67 1.042 -7.930 4.931 439 HB ILE 67 HB ILE 67 3.723 -6.558 5.187 440 1HG1 ILE 67 2HG1 ILE 67 1.732 -6.468 2.913 441 2HG1 ILE 67 1HG1 ILE 67 1.838 -5.239 4.169 442 1HG2 ILE 67 1HG2 ILE 67 4.039 -8.863 4.522 443 2HG2 ILE 67 2HG2 ILE 67 4.366 -7.783 3.166 444 3HG2 ILE 67 3HG2 ILE 67 2.848 -8.679 3.235 445 1HD1 ILE 67 1HD1 ILE 67 2.993 -4.538 2.154 446 2HD1 ILE 67 2HD1 ILE 67 4.016 -5.971 2.223 447 3HD1 ILE 67 3HD1 ILE 67 4.133 -4.744 3.486 448 H ARG 68 H ARG 68 3.466 -7.343 7.433 449 HA ARG 68 HA ARG 68 4.702 -9.821 7.441 450 1HB ARG 68 2HB ARG 68 5.601 -7.823 8.508 451 2HB ARG 68 1HB ARG 68 4.312 -7.856 9.697 452 1HG ARG 68 2HG ARG 68 5.156 -9.927 10.608 453 2HG ARG 68 1HG ARG 68 6.414 -9.981 9.370 454 1HD ARG 68 2HD ARG 68 6.084 -7.843 11.476 455 2HD ARG 68 1HD ARG 68 7.302 -9.120 11.481 456 HE ARG 68 HE ARG 68 8.254 -8.087 9.484 457 1HH1 ARG 68 1HH1 ARG 68 6.051 -6.130 11.403 458 2HH1 ARG 68 2HH1 ARG 68 6.655 -4.620 10.778 459 1HH2 ARG 68 1HH2 ARG 68 9.043 -6.124 8.681 460 2HH2 ARG 68 2HH2 ARG 68 8.368 -4.615 9.236 461 H THR 69 H THR 69 1.706 -8.840 8.982 462 HA THR 69 HA THR 69 1.669 -11.422 10.372 463 HB THR 69 HB THR 69 1.638 -9.311 11.779 464 HG1 THR 69 HG1 THR 69 0.940 -11.338 12.588 465 1HG2 THR 69 1HG2 THR 69 -0.524 -8.186 12.047 466 2HG2 THR 69 2HG2 THR 69 -1.186 -9.142 10.719 467 3HG2 THR 69 3HG2 THR 69 0.112 -7.984 10.414 468 H SER 70 H SER 70 0.695 -10.509 7.591 469 HA SER 70 HA SER 70 -1.915 -11.838 7.830 470 1HB SER 70 2HB SER 70 -1.425 -9.421 6.082 471 2HB SER 70 1HB SER 70 -2.952 -10.278 6.300 472 HG SER 70 HG SER 70 -1.576 -8.594 8.085 473 H GLY 71 H GLY 71 0.465 -10.633 5.511 474 1HA GLY 71 2HA GLY 71 1.105 -11.390 3.429 475 2HA GLY 71 1HA GLY 71 1.192 -12.928 4.258 476 H ILE 72 H ILE 72 -1.005 -10.813 2.407 477 HA ILE 72 HA ILE 72 -3.044 -12.809 2.209 478 HB ILE 72 HB ILE 72 -2.648 -10.074 1.083 479 1HG1 ILE 72 2HG1 ILE 72 -4.926 -9.773 2.081 480 2HG1 ILE 72 1HG1 ILE 72 -4.844 -11.436 2.648 481 1HG2 ILE 72 1HG2 ILE 72 -4.760 -11.966 0.064 482 2HG2 ILE 72 2HG2 ILE 72 -3.435 -11.268 -0.869 483 3HG2 ILE 72 3HG2 ILE 72 -4.710 -10.228 -0.236 484 1HD1 ILE 72 1HD1 ILE 72 -2.986 -9.208 3.431 485 2HD1 ILE 72 2HD1 ILE 72 -2.899 -10.873 4.008 486 3HD1 ILE 72 3HD1 ILE 72 -4.293 -9.869 4.413 487 H ARG 73 H ARG 73 -0.178 -12.210 0.424 488 HA ARG 73 HA ARG 73 -0.858 -13.036 -2.152 489 1HB ARG 73 2HB ARG 73 1.260 -12.099 -1.952 490 2HB ARG 73 1HB ARG 73 1.683 -13.095 -0.565 491 1HG ARG 73 2HG ARG 73 2.837 -14.301 -2.024 492 2HG ARG 73 1HG ARG 73 1.286 -14.977 -2.468 493 1HD ARG 73 2HD ARG 73 1.594 -14.268 -4.540 494 2HD ARG 73 1HD ARG 73 1.483 -12.614 -3.940 495 HE ARG 73 HE ARG 73 3.777 -12.411 -4.118 496 1HH1 ARG 73 1HH1 ARG 73 2.860 -15.759 -4.596 497 2HH1 ARG 73 2HH1 ARG 73 4.387 -16.206 -5.305 498 1HH2 ARG 73 1HH2 ARG 73 5.776 -12.983 -5.086 499 2HH2 ARG 73 2HH2 ARG 73 6.035 -14.630 -5.581 500 H THR 74 H THR 74 0.875 -14.991 0.265 501 HA THR 74 HA THR 74 0.322 -17.457 -1.059 502 HB THR 74 HB THR 74 2.370 -17.314 0.155 503 HG1 THR 74 HG1 THR 74 1.197 -19.347 0.341 504 1HG2 THR 74 1HG2 THR 74 2.459 -16.930 2.592 505 2HG2 THR 74 2HG2 THR 74 0.727 -16.606 2.579 506 3HG2 THR 74 3HG2 THR 74 1.830 -15.542 1.705 507 H ASP 75 H ASP 75 -1.498 -15.425 0.612 508 HA ASP 75 HA ASP 75 -3.617 -15.447 1.414 509 1HB ASP 75 2HB ASP 75 -4.097 -16.698 -0.600 510 2HB ASP 75 1HB ASP 75 -3.657 -18.204 0.193 Start of MODEL 10 1 H GLY 10 H GLY 10 10.574 2.623 6.308 2 1HA GLY 10 2HA GLY 10 9.229 4.471 6.322 3 2HA GLY 10 1HA GLY 10 10.618 5.284 5.632 4 HA PRO 11 HA PRO 11 7.600 6.135 2.450 5 1HB PRO 11 2HB PRO 11 9.675 7.723 1.172 6 2HB PRO 11 1HB PRO 11 8.176 8.259 1.933 7 1HG PRO 11 2HG PRO 11 10.634 8.753 2.976 8 2HG PRO 11 1HG PRO 11 9.172 8.587 3.965 9 1HD PRO 11 2HD PRO 11 11.352 6.602 3.450 10 2HD PRO 11 1HD PRO 11 10.470 6.950 4.953 11 H PHE 12 H PHE 12 7.201 5.410 0.417 12 HA PHE 12 HA PHE 12 9.347 3.818 -0.841 13 1HB PHE 12 2HB PHE 12 7.520 2.459 -1.833 14 2HB PHE 12 1HB PHE 12 7.550 2.404 -0.077 15 HD1 PHE 12 HD1 PHE 12 5.670 3.422 -3.022 16 HD2 PHE 12 HD2 PHE 12 5.800 3.517 1.228 17 HE1 PHE 12 HE1 PHE 12 3.293 4.048 -2.966 18 HE2 PHE 12 HE2 PHE 12 3.421 4.147 1.287 19 HZ PHE 12 HZ PHE 12 2.170 4.418 -0.811 20 H THR 13 H THR 13 8.444 3.359 -3.276 21 HA THR 13 HA THR 13 7.793 5.964 -4.482 22 HB THR 13 HB THR 13 9.240 5.495 -6.336 23 HG1 THR 13 HG1 THR 13 10.505 3.474 -6.277 24 1HG2 THR 13 1HG2 THR 13 11.445 5.300 -5.247 25 2HG2 THR 13 2HG2 THR 13 10.644 4.795 -3.759 26 3HG2 THR 13 3HG2 THR 13 10.379 6.418 -4.396 27 H ARG 14 H ARG 14 7.012 5.499 -6.877 28 HA ARG 14 HA ARG 14 4.704 3.882 -6.800 29 1HB ARG 14 2HB ARG 14 5.132 5.764 -8.406 30 2HB ARG 14 1HB ARG 14 6.243 4.714 -9.262 31 1HG ARG 14 2HG ARG 14 4.416 3.130 -9.687 32 2HG ARG 14 1HG ARG 14 3.301 4.222 -8.868 33 1HD ARG 14 2HD ARG 14 3.652 5.913 -10.528 34 2HD ARG 14 1HD ARG 14 4.924 4.961 -11.293 35 HE ARG 14 HE ARG 14 3.079 3.280 -11.734 36 1HH1 ARG 14 1HH1 ARG 14 2.492 6.718 -11.511 37 2HH1 ARG 14 2HH1 ARG 14 1.086 6.676 -12.524 38 1HH2 ARG 14 1HH2 ARG 14 1.224 3.209 -13.046 39 2HH2 ARG 14 2HH2 ARG 14 0.357 4.673 -13.401 40 H ARG 15 H ARG 15 7.871 3.425 -8.228 41 HA ARG 15 HA ARG 15 7.575 0.909 -9.356 42 1HB ARG 15 2HB ARG 15 10.022 2.063 -8.011 43 2HB ARG 15 1HB ARG 15 10.010 0.709 -9.124 44 1HG ARG 15 2HG ARG 15 9.195 3.521 -9.792 45 2HG ARG 15 1HG ARG 15 10.737 2.769 -10.197 46 1HD ARG 15 2HD ARG 15 9.558 1.092 -11.542 47 2HD ARG 15 1HD ARG 15 8.022 1.858 -11.142 48 HE ARG 15 HE ARG 15 9.955 3.620 -12.357 49 1HH1 ARG 15 1HH1 ARG 15 7.386 1.304 -12.981 50 2HH1 ARG 15 2HH1 ARG 15 6.968 2.014 -14.514 51 1HH2 ARG 15 1HH2 ARG 15 9.389 4.540 -14.369 52 2HH2 ARG 15 2HH2 ARG 15 8.090 3.835 -15.297 53 H GLN 16 H GLN 16 8.675 1.762 -6.079 54 HA GLN 16 HA GLN 16 8.949 -0.884 -5.154 55 1HB GLN 16 2HB GLN 16 8.274 1.592 -3.558 56 2HB GLN 16 1HB GLN 16 8.844 0.073 -2.890 57 1HG GLN 16 2HG GLN 16 10.376 1.892 -4.728 58 2HG GLN 16 1HG GLN 16 10.623 1.707 -2.994 59 1HE2 GLN 16 1HE2 GLN 16 10.230 -1.198 -3.081 60 2HE2 GLN 16 2HE2 GLN 16 11.673 -1.851 -3.785 61 H ALA 17 H ALA 17 6.267 1.423 -4.858 62 HA ALA 17 HA ALA 17 4.460 -0.127 -3.436 63 1HB ALA 17 1HB ALA 17 3.847 1.815 -5.660 64 2HB ALA 17 2HB ALA 17 4.093 2.222 -3.962 65 3HB ALA 17 3HB ALA 17 2.706 1.245 -4.444 66 H GLN 18 H GLN 18 4.858 0.010 -6.976 67 HA GLN 18 HA GLN 18 2.820 -1.728 -7.683 68 1HB GLN 18 2HB GLN 18 5.479 -1.168 -8.985 69 2HB GLN 18 1HB GLN 18 4.243 -2.165 -9.724 70 1HG GLN 18 2HG GLN 18 3.985 0.734 -8.985 71 2HG GLN 18 1HG GLN 18 4.164 0.079 -10.612 72 1HE2 GLN 18 1HE2 GLN 18 2.427 -0.991 -11.568 73 2HE2 GLN 18 2HE2 GLN 18 0.812 -0.828 -10.964 74 H ALA 19 H ALA 19 6.167 -2.431 -6.783 75 HA ALA 19 HA ALA 19 6.121 -5.182 -7.374 76 1HB ALA 19 1HB ALA 19 7.782 -3.718 -5.330 77 2HB ALA 19 2HB ALA 19 8.190 -3.953 -7.030 78 3HB ALA 19 3HB ALA 19 8.095 -5.340 -5.944 79 H VAL 20 H VAL 20 4.759 -3.434 -4.676 80 HA VAL 20 HA VAL 20 4.861 -5.821 -2.968 81 HB VAL 20 HB VAL 20 3.612 -3.197 -2.182 82 1HG1 VAL 20 1HG1 VAL 20 3.235 -5.076 -0.702 83 2HG1 VAL 20 2HG1 VAL 20 4.317 -3.920 0.074 84 3HG1 VAL 20 3HG1 VAL 20 4.967 -5.403 -0.623 85 1HG2 VAL 20 1HG2 VAL 20 6.549 -3.890 -2.031 86 2HG2 VAL 20 2HG2 VAL 20 5.788 -2.525 -1.214 87 3HG2 VAL 20 3HG2 VAL 20 5.817 -2.592 -2.976 88 H THR 21 H THR 21 2.888 -3.852 -4.903 89 HA THR 21 HA THR 21 0.374 -4.838 -3.961 90 HB THR 21 HB THR 21 0.949 -3.379 -6.541 91 HG1 THR 21 HG1 THR 21 1.791 -2.146 -4.824 92 1HG2 THR 21 1HG2 THR 21 -1.456 -3.490 -4.758 93 2HG2 THR 21 2HG2 THR 21 -1.265 -4.393 -6.261 94 3HG2 THR 21 3HG2 THR 21 -1.328 -2.628 -6.290 95 H THR 22 H THR 22 2.593 -5.541 -6.613 96 HA THR 22 HA THR 22 0.904 -7.512 -7.801 97 HB THR 22 HB THR 22 3.143 -8.306 -8.820 98 HG1 THR 22 HG1 THR 22 4.067 -5.757 -8.025 99 1HG2 THR 22 1HG2 THR 22 1.519 -6.958 -10.045 100 2HG2 THR 22 2HG2 THR 22 3.163 -6.434 -10.415 101 3HG2 THR 22 3HG2 THR 22 2.164 -5.490 -9.308 102 H THR 23 H THR 23 3.212 -7.429 -5.195 103 HA THR 23 HA THR 23 3.284 -10.260 -4.794 104 HB THR 23 HB THR 23 3.950 -8.013 -2.882 105 HG1 THR 23 HG1 THR 23 5.358 -7.910 -4.600 106 1HG2 THR 23 1HG2 THR 23 4.761 -10.918 -2.794 107 2HG2 THR 23 2HG2 THR 23 3.530 -10.182 -1.768 108 3HG2 THR 23 3HG2 THR 23 5.211 -9.665 -1.638 109 H TYR 24 H TYR 24 1.644 -7.596 -2.968 110 HA TYR 24 HA TYR 24 -0.396 -9.587 -2.204 111 1HB TYR 24 2HB TYR 24 0.357 -7.011 -0.796 112 2HB TYR 24 1HB TYR 24 -0.808 -8.187 -0.240 113 HD1 TYR 24 HD1 TYR 24 2.635 -7.189 -0.259 114 HD2 TYR 24 HD2 TYR 24 0.043 -10.485 0.387 115 HE1 TYR 24 HE1 TYR 24 4.439 -8.354 0.943 116 HE2 TYR 24 HE2 TYR 24 1.831 -11.671 1.586 117 HH TYR 24 HH TYR 24 4.618 -10.174 2.685 118 H SER 25 H SER 25 -1.953 -9.271 -3.780 119 HA SER 25 HA SER 25 -2.419 -6.647 -4.835 120 1HB SER 25 2HB SER 25 -3.805 -9.260 -5.392 121 2HB SER 25 1HB SER 25 -3.995 -7.779 -6.315 122 HG SER 25 HG SER 25 -1.503 -7.999 -6.343 123 H ASN 26 H ASN 26 -3.190 -7.642 -1.975 124 HA ASN 26 HA ASN 26 -5.904 -6.598 -1.914 125 1HB ASN 26 2HB ASN 26 -5.778 -6.865 0.505 126 2HB ASN 26 1HB ASN 26 -5.253 -8.349 -0.278 127 1HD2 ASN 26 1HD2 ASN 26 -4.713 -7.061 2.385 128 2HD2 ASN 26 2HD2 ASN 26 -2.989 -7.084 2.527 129 H ILE 27 H ILE 27 -2.638 -5.606 -1.712 130 HA ILE 27 HA ILE 27 -3.082 -2.991 -0.640 131 HB ILE 27 HB ILE 27 -0.865 -3.666 -2.560 132 1HG1 ILE 27 2HG1 ILE 27 -1.079 -4.604 0.291 133 2HG1 ILE 27 1HG1 ILE 27 -0.709 -5.534 -1.135 134 1HG2 ILE 27 1HG2 ILE 27 0.411 -2.108 -1.136 135 2HG2 ILE 27 2HG2 ILE 27 -1.022 -1.878 -0.133 136 3HG2 ILE 27 3HG2 ILE 27 -1.035 -1.366 -1.821 137 1HD1 ILE 27 1HD1 ILE 27 1.065 -3.475 0.136 138 2HD1 ILE 27 2HD1 ILE 27 1.435 -4.395 -1.324 139 3HD1 ILE 27 3HD1 ILE 27 1.256 -5.225 0.224 140 H THR 28 H THR 28 -3.327 -1.035 -1.879 141 HA THR 28 HA THR 28 -3.634 -1.328 -4.751 142 HB THR 28 HB THR 28 -5.948 0.093 -4.096 143 HG1 THR 28 HG1 THR 28 -5.372 -1.433 -2.034 144 1HG2 THR 28 1HG2 THR 28 -5.637 -2.797 -4.918 145 2HG2 THR 28 2HG2 THR 28 -5.646 -1.409 -6.006 146 3HG2 THR 28 3HG2 THR 28 -7.099 -1.825 -5.096 147 H LEU 29 H LEU 29 -2.969 0.401 -5.795 148 HA LEU 29 HA LEU 29 -2.108 2.715 -4.316 149 1HB LEU 29 2HB LEU 29 -0.924 1.602 -6.310 150 2HB LEU 29 1HB LEU 29 -2.114 2.405 -7.313 151 HG LEU 29 HG LEU 29 -0.311 3.927 -5.436 152 1HD1 LEU 29 1HD1 LEU 29 1.087 2.656 -6.972 153 2HD1 LEU 29 2HD1 LEU 29 1.117 4.374 -7.368 154 3HD1 LEU 29 3HD1 LEU 29 0.154 3.263 -8.341 155 1HD2 LEU 29 1HD2 LEU 29 -1.873 4.734 -7.890 156 2HD2 LEU 29 2HD2 LEU 29 -0.817 5.789 -6.948 157 3HD2 LEU 29 3HD2 LEU 29 -2.280 5.127 -6.218 158 H GLU 30 H GLU 30 -3.647 4.026 -3.650 159 HA GLU 30 HA GLU 30 -5.848 4.698 -5.491 160 1HB GLU 30 2HB GLU 30 -5.872 4.950 -2.479 161 2HB GLU 30 1HB GLU 30 -7.243 5.076 -3.571 162 1HG GLU 30 2HG GLU 30 -5.654 2.559 -3.145 163 2HG GLU 30 1HG GLU 30 -7.126 2.959 -2.265 164 H ASP 31 H ASP 31 -6.714 6.920 -5.148 165 HA ASP 31 HA ASP 31 -6.538 9.173 -4.990 166 1HB ASP 31 2HB ASP 31 -5.820 8.554 -2.610 167 2HB ASP 31 1HB ASP 31 -4.168 8.815 -3.161 168 H ASP 32 H ASP 32 -5.458 8.031 -7.179 169 HA ASP 32 HA ASP 32 -2.771 8.660 -7.717 170 1HB ASP 32 2HB ASP 32 -5.146 8.192 -9.511 171 2HB ASP 32 1HB ASP 32 -3.546 8.525 -10.141 172 H GLN 33 H GLN 33 -2.196 10.748 -7.258 173 HA GLN 33 HA GLN 33 -3.333 12.764 -9.082 174 1HB GLN 33 2HB GLN 33 -3.986 13.043 -6.627 175 2HB GLN 33 1HB GLN 33 -2.293 13.392 -6.319 176 1HG GLN 33 2HG GLN 33 -2.373 15.325 -7.746 177 2HG GLN 33 1HG GLN 33 -4.026 14.941 -8.227 178 1HE2 GLN 33 1HE2 GLN 33 -1.987 16.163 -5.704 179 2HE2 GLN 33 2HE2 GLN 33 -3.251 16.806 -4.716 180 H GLY 34 H GLY 34 -1.388 11.464 -10.115 181 1HA GLY 34 2HA GLY 34 0.661 11.793 -11.134 182 2HA GLY 34 1HA GLY 34 0.810 13.304 -10.243 183 H SER 35 H SER 35 2.368 13.377 -8.757 184 HA SER 35 HA SER 35 3.637 10.912 -7.896 185 1HB SER 35 2HB SER 35 5.008 12.884 -8.548 186 2HB SER 35 1HB SER 35 4.320 13.782 -7.193 187 HG SER 35 HG SER 35 5.157 11.768 -5.982 188 H HIS 36 H HIS 36 1.015 12.624 -6.937 189 HA HIS 36 HA HIS 36 1.367 12.035 -4.081 190 1HB HIS 36 2HB HIS 36 0.014 14.102 -5.539 191 2HB HIS 36 1HB HIS 36 -1.173 13.195 -4.611 192 HD1 HIS 36 HD1 HIS 36 -1.631 14.315 -2.491 193 HD2 HIS 36 HD2 HIS 36 2.368 14.692 -3.593 194 HE1 HIS 36 HE1 HIS 36 -0.541 15.666 -0.662 195 HE2 HIS 36 HE2 HIS 36 1.846 15.985 -1.407 196 H PHE 37 H PHE 37 0.489 10.215 -3.298 197 HA PHE 37 HA PHE 37 -2.066 9.266 -3.963 198 1HB PHE 37 2HB PHE 37 -1.426 7.102 -5.030 199 2HB PHE 37 1HB PHE 37 -1.113 8.498 -6.050 200 HD1 PHE 37 HD1 PHE 37 1.120 9.104 -6.673 201 HD2 PHE 37 HD2 PHE 37 0.417 5.844 -4.031 202 HE1 PHE 37 HE1 PHE 37 3.436 8.348 -6.995 203 HE2 PHE 37 HE2 PHE 37 2.737 5.089 -4.343 204 HZ PHE 37 HZ PHE 37 4.250 6.341 -5.829 205 H ARG 38 H ARG 38 -2.429 7.016 -2.984 206 HA ARG 38 HA ARG 38 -0.482 6.380 -0.892 207 1HB ARG 38 2HB ARG 38 -2.126 6.417 0.898 208 2HB ARG 38 1HB ARG 38 -2.016 8.003 0.153 209 1HG ARG 38 2HG ARG 38 -4.066 7.517 -1.123 210 2HG ARG 38 1HG ARG 38 -4.186 5.966 -0.288 211 1HD ARG 38 2HD ARG 38 -4.313 7.142 1.861 212 2HD ARG 38 1HD ARG 38 -4.209 8.685 1.017 213 HE ARG 38 HE ARG 38 -6.497 6.857 1.033 214 1HH1 ARG 38 1HH1 ARG 38 -5.074 9.890 0.040 215 2HH1 ARG 38 2HH1 ARG 38 -6.595 10.621 -0.368 216 1HH2 ARG 38 1HH2 ARG 38 -8.509 7.825 0.524 217 2HH2 ARG 38 2HH2 ARG 38 -8.539 9.451 -0.092 218 H LEU 39 H LEU 39 -0.536 4.296 -0.162 219 HA LEU 39 HA LEU 39 -2.060 2.435 -1.807 220 1HB LEU 39 2HB LEU 39 0.133 1.991 0.212 221 2HB LEU 39 1HB LEU 39 -0.670 0.708 -0.649 222 HG LEU 39 HG LEU 39 0.879 2.895 -1.999 223 1HD1 LEU 39 1HD1 LEU 39 1.705 0.066 -1.358 224 2HD1 LEU 39 2HD1 LEU 39 2.318 1.517 -0.565 225 3HD1 LEU 39 3HD1 LEU 39 2.642 1.246 -2.275 226 1HD2 LEU 39 1HD2 LEU 39 0.785 1.406 -3.927 227 2HD2 LEU 39 2HD2 LEU 39 -0.833 1.846 -3.385 228 3HD2 LEU 39 3HD2 LEU 39 -0.176 0.257 -2.998 229 H VAL 40 H VAL 40 -4.022 2.047 -1.125 230 HA VAL 40 HA VAL 40 -4.611 1.808 1.713 231 HB VAL 40 HB VAL 40 -6.421 1.513 -0.699 232 1HG1 VAL 40 1HG1 VAL 40 -7.105 1.601 2.239 233 2HG1 VAL 40 2HG1 VAL 40 -7.239 0.197 1.181 234 3HG1 VAL 40 3HG1 VAL 40 -8.265 1.604 0.911 235 1HG2 VAL 40 1HG2 VAL 40 -7.327 3.682 0.008 236 2HG2 VAL 40 2HG2 VAL 40 -5.614 3.786 -0.401 237 3HG2 VAL 40 3HG2 VAL 40 -6.118 3.759 1.290 238 H VAL 41 H VAL 41 -4.218 -0.058 2.677 239 HA VAL 41 HA VAL 41 -4.040 -2.503 1.097 240 HB VAL 41 HB VAL 41 -3.524 -2.282 4.057 241 1HG1 VAL 41 1HG1 VAL 41 -2.484 -4.145 1.930 242 2HG1 VAL 41 2HG1 VAL 41 -3.730 -4.521 3.119 243 3HG1 VAL 41 3HG1 VAL 41 -2.077 -4.204 3.644 244 1HG2 VAL 41 1HG2 VAL 41 -1.505 -1.825 1.860 245 2HG2 VAL 41 2HG2 VAL 41 -1.181 -1.869 3.594 246 3HG2 VAL 41 3HG2 VAL 41 -2.167 -0.574 2.914 247 H ARG 42 H ARG 42 -5.889 -3.498 0.778 248 HA ARG 42 HA ARG 42 -7.995 -3.328 2.791 249 1HB ARG 42 2HB ARG 42 -8.030 -4.272 -0.081 250 2HB ARG 42 1HB ARG 42 -9.426 -4.302 0.982 251 1HG ARG 42 2HG ARG 42 -9.475 -1.925 1.127 252 2HG ARG 42 1HG ARG 42 -7.918 -1.788 0.308 253 1HD ARG 42 2HD ARG 42 -8.840 -2.507 -1.755 254 2HD ARG 42 1HD ARG 42 -10.338 -3.027 -0.986 255 HE ARG 42 HE ARG 42 -10.945 -0.729 -0.720 256 1HH1 ARG 42 1HH1 ARG 42 -8.060 -1.208 -2.656 257 2HH1 ARG 42 2HH1 ARG 42 -8.239 0.297 -3.503 258 1HH2 ARG 42 1HH2 ARG 42 -11.150 1.281 -1.860 259 2HH2 ARG 42 2HH2 ARG 42 -9.942 1.700 -3.048 260 H ASP 43 H ASP 43 -9.317 -5.425 2.997 261 HA ASP 43 HA ASP 43 -7.409 -7.580 3.549 262 1HB ASP 43 2HB ASP 43 -8.871 -8.384 5.173 263 2HB ASP 43 1HB ASP 43 -9.149 -6.654 5.267 264 H THR 44 H THR 44 -8.989 -9.751 3.537 265 HA THR 44 HA THR 44 -8.896 -10.486 0.819 266 HB THR 44 HB THR 44 -10.513 -12.225 2.534 267 HG1 THR 44 HG1 THR 44 -7.819 -11.974 3.332 268 1HG2 THR 44 1HG2 THR 44 -7.858 -12.524 1.126 269 2HG2 THR 44 2HG2 THR 44 -9.435 -12.986 0.481 270 3HG2 THR 44 3HG2 THR 44 -8.766 -13.839 1.874 271 H GLU 45 H GLU 45 -11.389 -9.079 2.746 272 HA GLU 45 HA GLU 45 -13.512 -9.838 0.896 273 1HB GLU 45 2HB GLU 45 -13.910 -9.758 3.362 274 2HB GLU 45 1HB GLU 45 -13.609 -8.024 3.319 275 1HG GLU 45 2HG GLU 45 -15.974 -8.449 3.377 276 2HG GLU 45 1HG GLU 45 -15.531 -7.738 1.826 277 H GLY 46 H GLY 46 -11.411 -7.173 1.657 278 1HA GLY 46 2HA GLY 46 -10.955 -5.629 -0.186 279 2HA GLY 46 1HA GLY 46 -12.676 -5.648 -0.535 280 H ARG 47 H ARG 47 -12.026 -5.610 2.795 281 HA ARG 47 HA ARG 47 -13.026 -2.915 3.015 282 1HB ARG 47 2HB ARG 47 -11.949 -4.612 5.256 283 2HB ARG 47 1HB ARG 47 -13.139 -3.330 5.336 284 1HG ARG 47 2HG ARG 47 -14.720 -4.754 4.090 285 2HG ARG 47 1HG ARG 47 -13.522 -6.051 4.121 286 1HD ARG 47 2HD ARG 47 -13.532 -5.721 6.667 287 2HD ARG 47 1HD ARG 47 -15.026 -4.823 6.413 288 HE ARG 47 HE ARG 47 -14.605 -7.685 5.879 289 1HH1 ARG 47 1HH1 ARG 47 -16.770 -4.949 6.216 290 2HH1 ARG 47 2HH1 ARG 47 -18.201 -5.932 6.340 291 1HH2 ARG 47 1HH2 ARG 47 -16.481 -8.970 6.016 292 2HH2 ARG 47 2HH2 ARG 47 -18.038 -8.219 6.206 293 H MET 48 H MET 48 -11.847 -1.102 3.578 294 HA MET 48 HA MET 48 -9.005 -1.270 3.213 295 1HB MET 48 2HB MET 48 -9.071 1.212 3.668 296 2HB MET 48 1HB MET 48 -9.994 0.659 2.284 297 1HG MET 48 2HG MET 48 -11.206 1.209 4.980 298 2HG MET 48 1HG MET 48 -11.081 2.413 3.699 299 1HE MET 48 1HE MET 48 -12.436 2.317 1.424 300 2HE MET 48 2HE MET 48 -13.382 0.916 0.918 301 3HE MET 48 3HE MET 48 -11.631 0.785 1.085 302 H VAL 49 H VAL 49 -8.021 -2.311 4.825 303 HA VAL 49 HA VAL 49 -8.709 -1.802 7.587 304 HB VAL 49 HB VAL 49 -6.394 -3.445 6.558 305 1HG1 VAL 49 1HG1 VAL 49 -6.353 -2.913 8.954 306 2HG1 VAL 49 2HG1 VAL 49 -6.608 -4.634 8.675 307 3HG1 VAL 49 3HG1 VAL 49 -7.966 -3.606 9.133 308 1HG2 VAL 49 1HG2 VAL 49 -7.881 -5.398 6.678 309 2HG2 VAL 49 2HG2 VAL 49 -8.413 -4.233 5.466 310 3HG2 VAL 49 3HG2 VAL 49 -9.242 -4.328 7.020 311 H TRP 50 H TRP 50 -6.253 -0.886 5.294 312 HA TRP 50 HA TRP 50 -5.194 1.049 7.175 313 1HB TRP 50 2HB TRP 50 -3.806 -0.900 7.668 314 2HB TRP 50 1HB TRP 50 -3.442 -1.100 5.957 315 HD1 TRP 50 HD1 TRP 50 -1.265 -0.022 5.156 316 HE1 TRP 50 HE1 TRP 50 0.357 1.753 6.071 317 HE3 TRP 50 HE3 TRP 50 -3.878 1.421 9.302 318 HZ2 TRP 50 HZ2 TRP 50 0.516 3.523 8.257 319 HZ3 TRP 50 HZ3 TRP 50 -2.922 3.163 10.752 320 HH2 TRP 50 HH2 TRP 50 -0.769 4.194 10.240 321 H ARG 51 H ARG 51 -3.772 2.610 6.126 322 HA ARG 51 HA ARG 51 -3.508 2.583 3.266 323 1HB ARG 51 2HB ARG 51 -4.762 4.704 2.929 324 2HB ARG 51 1HB ARG 51 -5.801 3.366 3.405 325 1HG ARG 51 2HG ARG 51 -5.641 4.231 5.766 326 2HG ARG 51 1HG ARG 51 -4.849 5.658 5.104 327 1HD ARG 51 2HD ARG 51 -6.899 5.869 3.587 328 2HD ARG 51 1HD ARG 51 -7.663 4.710 4.679 329 HE ARG 51 HE ARG 51 -6.877 7.461 5.291 330 1HH1 ARG 51 1HH1 ARG 51 -8.246 4.422 6.416 331 2HH1 ARG 51 2HH1 ARG 51 -8.879 5.116 7.876 332 1HH2 ARG 51 1HH2 ARG 51 -7.739 8.364 7.196 333 2HH2 ARG 51 2HH2 ARG 51 -8.582 7.343 8.330 334 H ALA 52 H ALA 52 -1.694 3.677 2.728 335 HA ALA 52 HA ALA 52 -0.730 5.803 4.504 336 1HB ALA 52 1HB ALA 52 1.546 4.852 4.498 337 2HB ALA 52 2HB ALA 52 0.933 3.425 3.661 338 3HB ALA 52 3HB ALA 52 0.385 3.793 5.297 339 H TRP 53 H TRP 53 0.401 7.414 3.469 340 HA TRP 53 HA TRP 53 0.070 7.528 0.619 341 1HB TRP 53 2HB TRP 53 1.497 9.439 2.474 342 2HB TRP 53 1HB TRP 53 1.067 9.748 0.815 343 HD1 TRP 53 HD1 TRP 53 -0.470 9.286 4.185 344 HE1 TRP 53 HE1 TRP 53 -2.745 10.465 4.221 345 HE3 TRP 53 HE3 TRP 53 -0.752 10.571 -0.716 346 HZ2 TRP 53 HZ2 TRP 53 -4.457 11.796 2.385 347 HZ3 TRP 53 HZ3 TRP 53 -2.729 11.798 -1.516 348 HH2 TRP 53 HH2 TRP 53 -4.543 12.399 0.004 349 H ASN 54 H ASN 54 2.098 8.806 -0.324 350 HA ASN 54 HA ASN 54 4.198 6.765 -0.401 351 1HB ASN 54 2HB ASN 54 3.097 7.591 -2.520 352 2HB ASN 54 1HB ASN 54 3.851 9.155 -2.228 353 1HD2 ASN 54 1HD2 ASN 54 6.093 9.354 -2.465 354 2HD2 ASN 54 2HD2 ASN 54 7.033 8.170 -3.292 355 H PHE 55 H PHE 55 3.587 9.978 0.652 356 HA PHE 55 HA PHE 55 6.435 10.607 0.814 357 1HB PHE 55 2HB PHE 55 5.635 12.929 1.335 358 2HB PHE 55 1HB PHE 55 5.179 12.333 -0.254 359 HD1 PHE 55 HD1 PHE 55 2.913 12.194 -0.898 360 HD2 PHE 55 HD2 PHE 55 3.927 12.970 3.167 361 HE1 PHE 55 HE1 PHE 55 0.567 12.737 -0.415 362 HE2 PHE 55 HE2 PHE 55 1.576 13.513 3.651 363 HZ PHE 55 HZ PHE 55 -0.106 13.400 1.860 364 H GLU 56 H GLU 56 4.410 9.022 2.728 365 HA GLU 56 HA GLU 56 4.833 10.416 5.201 366 1HB GLU 56 2HB GLU 56 3.796 7.644 4.611 367 2HB GLU 56 1HB GLU 56 3.958 8.289 6.238 368 1HG GLU 56 2HG GLU 56 2.481 10.188 5.510 369 2HG GLU 56 1HG GLU 56 2.172 9.272 4.036 370 HA PRO 57 HA PRO 57 9.019 9.253 5.807 371 1HB PRO 57 2HB PRO 57 8.394 9.476 8.696 372 2HB PRO 57 1HB PRO 57 9.604 10.328 7.732 373 1HG PRO 57 2HG PRO 57 7.399 11.569 8.560 374 2HG PRO 57 1HG PRO 57 8.090 11.888 6.958 375 1HD PRO 57 2HD PRO 57 5.714 10.223 7.701 376 2HD PRO 57 1HD PRO 57 5.943 11.319 6.320 377 H ASP 58 H ASP 58 6.412 7.553 7.318 378 HA ASP 58 HA ASP 58 8.128 5.178 7.548 379 1HB ASP 58 2HB ASP 58 6.212 6.252 9.614 380 2HB ASP 58 1HB ASP 58 6.682 4.556 9.580 381 H ALA 59 H ALA 59 6.446 5.887 5.387 382 HA ALA 59 HA ALA 59 3.857 4.891 5.465 383 1HB ALA 59 1HB ALA 59 4.750 6.177 3.595 384 2HB ALA 59 2HB ALA 59 4.035 4.664 3.040 385 3HB ALA 59 3HB ALA 59 5.788 4.824 3.150 386 H GLY 60 H GLY 60 6.842 3.187 4.557 387 1HA GLY 60 2HA GLY 60 5.658 0.677 4.106 388 2HA GLY 60 1HA GLY 60 7.355 0.959 4.466 389 H GLU 61 H GLU 61 6.693 2.236 7.048 390 HA GLU 61 HA GLU 61 6.947 -0.029 8.680 391 1HB GLU 61 2HB GLU 61 7.696 2.291 9.247 392 2HB GLU 61 1HB GLU 61 6.013 2.728 9.500 393 1HG GLU 61 2HG GLU 61 7.117 2.300 11.604 394 2HG GLU 61 1HG GLU 61 5.859 1.099 11.308 395 H GLY 62 H GLY 62 4.157 2.009 7.901 396 1HA GLY 62 2HA GLY 62 2.378 0.534 9.614 397 2HA GLY 62 1HA GLY 62 1.918 1.755 8.438 398 H LEU 63 H LEU 63 3.119 0.552 6.169 399 HA LEU 63 HA LEU 63 1.054 -1.184 5.357 400 1HB LEU 63 2HB LEU 63 3.787 -0.760 4.144 401 2HB LEU 63 1HB LEU 63 2.438 -1.555 3.353 402 HG LEU 63 HG LEU 63 2.429 1.331 4.240 403 1HD1 LEU 63 1HD1 LEU 63 2.588 1.836 1.837 404 2HD1 LEU 63 2HD1 LEU 63 2.861 0.121 1.520 405 3HD1 LEU 63 3HD1 LEU 63 4.028 1.043 2.470 406 1HD2 LEU 63 1HD2 LEU 63 0.429 1.487 2.841 407 2HD2 LEU 63 2HD2 LEU 63 0.212 0.335 4.157 408 3HD2 LEU 63 3HD2 LEU 63 0.522 -0.243 2.521 409 H ASN 64 H ASN 64 4.483 -1.846 6.071 410 HA ASN 64 HA ASN 64 4.320 -4.649 5.847 411 1HB ASN 64 2HB ASN 64 6.211 -2.881 7.406 412 2HB ASN 64 1HB ASN 64 6.397 -4.628 7.303 413 1HD2 ASN 64 1HD2 ASN 64 8.128 -2.460 6.402 414 2HD2 ASN 64 2HD2 ASN 64 8.399 -2.739 4.719 415 H ARG 65 H ARG 65 3.636 -2.459 8.470 416 HA ARG 65 HA ARG 65 3.476 -4.169 10.641 417 1HB ARG 65 2HB ARG 65 3.240 -1.715 10.738 418 2HB ARG 65 1HB ARG 65 1.668 -1.841 9.966 419 1HG ARG 65 2HG ARG 65 1.379 -1.484 12.315 420 2HG ARG 65 1HG ARG 65 0.858 -3.121 11.916 421 1HD ARG 65 2HD ARG 65 2.670 -4.092 12.970 422 2HD ARG 65 1HD ARG 65 3.660 -2.637 12.832 423 HE ARG 65 HE ARG 65 2.295 -1.647 14.587 424 1HH1 ARG 65 1HH1 ARG 65 2.153 -5.142 14.222 425 2HH1 ARG 65 2HH1 ARG 65 1.594 -5.403 15.848 426 1HH2 ARG 65 1HH2 ARG 65 1.542 -2.003 16.709 427 2HH2 ARG 65 2HH2 ARG 65 1.209 -3.623 17.248 428 H TYR 66 H TYR 66 0.958 -3.395 8.235 429 HA TYR 66 HA TYR 66 -0.898 -5.268 9.362 430 1HB TYR 66 2HB TYR 66 -1.762 -3.366 8.131 431 2HB TYR 66 1HB TYR 66 -0.899 -3.869 6.680 432 HD1 TYR 66 HD1 TYR 66 -3.550 -4.977 9.054 433 HD2 TYR 66 HD2 TYR 66 -1.939 -5.280 5.131 434 HE1 TYR 66 HE1 TYR 66 -5.496 -6.315 8.364 435 HE2 TYR 66 HE2 TYR 66 -3.882 -6.608 4.428 436 HH TYR 66 HH TYR 66 -6.703 -6.859 6.256 437 H ILE 67 H ILE 67 1.287 -5.300 6.572 438 HA ILE 67 HA ILE 67 0.547 -7.687 5.374 439 HB ILE 67 HB ILE 67 3.350 -6.587 5.672 440 1HG1 ILE 67 2HG1 ILE 67 1.405 -6.290 3.373 441 2HG1 ILE 67 1HG1 ILE 67 1.673 -5.059 4.602 442 1HG2 ILE 67 1HG2 ILE 67 3.380 -8.926 5.033 443 2HG2 ILE 67 2HG2 ILE 67 3.874 -7.910 3.678 444 3HG2 ILE 67 3HG2 ILE 67 2.249 -8.601 3.718 445 1HD1 ILE 67 1HD1 ILE 67 2.916 -4.529 2.604 446 2HD1 ILE 67 2HD1 ILE 67 3.714 -6.100 2.649 447 3HD1 ILE 67 3HD1 ILE 67 4.031 -4.915 3.916 448 H ARG 68 H ARG 68 2.769 -7.148 8.049 449 HA ARG 68 HA ARG 68 3.809 -9.717 8.305 450 1HB ARG 68 2HB ARG 68 4.857 -7.864 9.379 451 2HB ARG 68 1HB ARG 68 3.407 -7.490 10.295 452 1HG ARG 68 2HG ARG 68 3.680 -9.485 11.619 453 2HG ARG 68 1HG ARG 68 5.066 -9.978 10.639 454 1HD ARG 68 2HD ARG 68 6.340 -8.093 11.389 455 2HD ARG 68 1HD ARG 68 4.940 -7.410 12.212 456 HE ARG 68 HE ARG 68 5.074 -9.524 13.629 457 1HH1 ARG 68 1HH1 ARG 68 7.862 -7.998 12.170 458 2HH1 ARG 68 2HH1 ARG 68 8.965 -8.535 13.397 459 1HH2 ARG 68 1HH2 ARG 68 6.516 -10.205 15.268 460 2HH2 ARG 68 2HH2 ARG 68 8.194 -9.761 15.168 461 H THR 69 H THR 69 0.677 -8.538 9.222 462 HA THR 69 HA THR 69 0.273 -10.993 10.784 463 HB THR 69 HB THR 69 0.219 -8.896 12.140 464 HG1 THR 69 HG1 THR 69 -2.403 -9.780 12.343 465 1HG2 THR 69 1HG2 THR 69 -0.776 -7.384 10.525 466 2HG2 THR 69 2HG2 THR 69 -1.764 -7.448 11.984 467 3HG2 THR 69 3HG2 THR 69 -2.271 -8.319 10.536 468 H SER 70 H SER 70 -0.152 -10.367 7.872 469 HA SER 70 HA SER 70 -2.817 -11.544 7.751 470 1HB SER 70 2HB SER 70 -3.427 -9.977 5.868 471 2HB SER 70 1HB SER 70 -3.338 -9.227 7.463 472 HG SER 70 HG SER 70 -1.471 -8.249 6.929 473 H GLY 71 H GLY 71 -0.146 -10.359 5.764 474 1HA GLY 71 2HA GLY 71 0.752 -11.121 3.777 475 2HA GLY 71 1HA GLY 71 0.789 -12.647 4.639 476 H ILE 72 H ILE 72 -1.178 -10.630 2.457 477 HA ILE 72 HA ILE 72 -3.186 -12.647 2.151 478 HB ILE 72 HB ILE 72 -2.682 -9.964 0.984 479 1HG1 ILE 72 2HG1 ILE 72 -5.065 -9.668 1.592 480 2HG1 ILE 72 1HG1 ILE 72 -5.125 -11.350 2.103 481 1HG2 ILE 72 1HG2 ILE 72 -4.534 -11.930 -0.350 482 2HG2 ILE 72 2HG2 ILE 72 -3.080 -11.219 -1.051 483 3HG2 ILE 72 3HG2 ILE 72 -4.469 -10.198 -0.678 484 1HD1 ILE 72 1HD1 ILE 72 -3.480 -10.881 3.837 485 2HD1 ILE 72 2HD1 ILE 72 -4.902 -9.848 3.993 486 3HD1 ILE 72 3HD1 ILE 72 -3.411 -9.198 3.315 487 H ARG 73 H ARG 73 -0.119 -12.194 0.743 488 HA ARG 73 HA ARG 73 -0.596 -13.139 -1.872 489 1HB ARG 73 2HB ARG 73 1.432 -11.983 -1.400 490 2HB ARG 73 1HB ARG 73 1.907 -13.169 -0.194 491 1HG ARG 73 2HG ARG 73 2.124 -14.861 -1.895 492 2HG ARG 73 1HG ARG 73 1.543 -13.737 -3.116 493 1HD ARG 73 2HD ARG 73 3.499 -12.319 -2.728 494 2HD ARG 73 1HD ARG 73 4.075 -13.454 -1.507 495 HE ARG 73 HE ARG 73 3.612 -14.685 -4.061 496 1HH1 ARG 73 1HH1 ARG 73 5.929 -12.913 -2.121 497 2HH1 ARG 73 2HH1 ARG 73 7.305 -13.436 -3.042 498 1HH2 ARG 73 1HH2 ARG 73 5.432 -15.378 -5.282 499 2HH2 ARG 73 2HH2 ARG 73 7.020 -14.836 -4.824 500 H THR 74 H THR 74 0.585 -14.745 1.045 501 HA THR 74 HA THR 74 0.641 -17.330 -0.223 502 HB THR 74 HB THR 74 2.316 -16.683 1.499 503 HG1 THR 74 HG1 THR 74 0.906 -18.789 2.698 504 1HG2 THR 74 1HG2 THR 74 0.866 -15.361 2.959 505 2HG2 THR 74 2HG2 THR 74 1.691 -16.631 3.861 506 3HG2 THR 74 3HG2 THR 74 -0.005 -16.824 3.421 507 H ASP 75 H ASP 75 -1.799 -15.613 0.197 508 HA ASP 75 HA ASP 75 -4.005 -15.878 0.502 509 1HB ASP 75 2HB ASP 75 -3.869 -18.001 -0.544 510 2HB ASP 75 1HB ASP 75 -3.243 -18.753 0.914 Start of MODEL 11 1 H GLY 10 H GLY 10 10.915 2.852 6.145 2 1HA GLY 10 2HA GLY 10 9.500 4.593 6.630 3 2HA GLY 10 1HA GLY 10 10.666 5.658 5.868 4 HA PRO 11 HA PRO 11 7.371 6.245 2.912 5 1HB PRO 11 2HB PRO 11 9.238 7.896 1.415 6 2HB PRO 11 1HB PRO 11 7.782 8.379 2.280 7 1HG PRO 11 2HG PRO 11 10.275 9.052 3.106 8 2HG PRO 11 1HG PRO 11 8.917 8.816 4.222 9 1HD PRO 11 2HD PRO 11 11.165 6.950 3.548 10 2HD PRO 11 1HD PRO 11 10.414 7.291 5.122 11 H PHE 12 H PHE 12 7.094 6.013 0.545 12 HA PHE 12 HA PHE 12 9.132 4.254 -0.652 13 1HB PHE 12 2HB PHE 12 7.376 2.733 -1.462 14 2HB PHE 12 1HB PHE 12 7.449 2.782 0.293 15 HD1 PHE 12 HD1 PHE 12 5.718 4.144 1.529 16 HD2 PHE 12 HD2 PHE 12 5.394 3.213 -2.608 17 HE1 PHE 12 HE1 PHE 12 3.309 4.605 1.618 18 HE2 PHE 12 HE2 PHE 12 2.978 3.680 -2.524 19 HZ PHE 12 HZ PHE 12 1.934 4.380 -0.411 20 H THR 13 H THR 13 8.588 3.742 -2.928 21 HA THR 13 HA THR 13 7.873 6.252 -4.283 22 HB THR 13 HB THR 13 9.652 4.149 -5.481 23 HG1 THR 13 HG1 THR 13 10.142 5.643 -3.224 24 1HG2 THR 13 1HG2 THR 13 8.952 6.012 -6.869 25 2HG2 THR 13 2HG2 THR 13 10.675 6.135 -6.512 26 3HG2 THR 13 3HG2 THR 13 9.521 7.154 -5.651 27 H ARG 14 H ARG 14 7.161 5.838 -6.639 28 HA ARG 14 HA ARG 14 4.781 4.344 -6.534 29 1HB ARG 14 2HB ARG 14 5.403 6.354 -8.039 30 2HB ARG 14 1HB ARG 14 6.078 5.147 -9.118 31 1HG ARG 14 2HG ARG 14 3.938 4.062 -9.334 32 2HG ARG 14 1HG ARG 14 3.228 5.163 -8.153 33 1HD ARG 14 2HD ARG 14 3.602 7.041 -9.637 34 2HD ARG 14 1HD ARG 14 4.413 5.988 -10.798 35 HE ARG 14 HE ARG 14 1.531 5.981 -10.165 36 1HH1 ARG 14 1HH1 ARG 14 4.209 5.138 -12.274 37 2HH1 ARG 14 2HH1 ARG 14 3.188 4.441 -13.492 38 1HH2 ARG 14 1HH2 ARG 14 0.191 5.089 -11.776 39 2HH2 ARG 14 2HH2 ARG 14 0.900 4.447 -13.237 40 H ARG 15 H ARG 15 7.804 3.747 -8.305 41 HA ARG 15 HA ARG 15 7.239 1.265 -9.392 42 1HB ARG 15 2HB ARG 15 9.324 2.417 -9.878 43 2HB ARG 15 1HB ARG 15 9.844 2.247 -8.205 44 1HG ARG 15 2HG ARG 15 9.804 -0.225 -8.522 45 2HG ARG 15 1HG ARG 15 9.484 0.055 -10.234 46 1HD ARG 15 2HD ARG 15 11.890 1.073 -8.727 47 2HD ARG 15 1HD ARG 15 11.867 -0.369 -9.743 48 HE ARG 15 HE ARG 15 11.511 2.397 -10.709 49 1HH1 ARG 15 1HH1 ARG 15 12.372 -0.958 -11.227 50 2HH1 ARG 15 2HH1 ARG 15 12.958 -0.682 -12.841 51 1HH2 ARG 15 1HH2 ARG 15 12.275 2.753 -12.831 52 2HH2 ARG 15 2HH2 ARG 15 12.880 1.408 -13.760 53 H GLN 16 H GLN 16 8.493 1.986 -6.157 54 HA GLN 16 HA GLN 16 8.714 -0.643 -5.230 55 1HB GLN 16 2HB GLN 16 8.214 1.950 -3.779 56 2HB GLN 16 1HB GLN 16 8.456 0.424 -2.944 57 1HG GLN 16 2HG GLN 16 10.676 0.221 -3.865 58 2HG GLN 16 1HG GLN 16 10.444 1.689 -4.817 59 1HE2 GLN 16 1HE2 GLN 16 12.245 2.640 -3.814 60 2HE2 GLN 16 2HE2 GLN 16 12.153 3.247 -2.195 61 H ALA 17 H ALA 17 6.053 1.690 -4.960 62 HA ALA 17 HA ALA 17 4.271 0.154 -3.474 63 1HB ALA 17 1HB ALA 17 3.899 2.507 -3.950 64 2HB ALA 17 2HB ALA 17 2.505 1.552 -4.452 65 3HB ALA 17 3HB ALA 17 3.651 2.142 -5.657 66 H GLN 18 H GLN 18 4.635 0.327 -7.005 67 HA GLN 18 HA GLN 18 2.565 -1.416 -7.683 68 1HB GLN 18 2HB GLN 18 5.073 -0.532 -9.048 69 2HB GLN 18 1HB GLN 18 4.098 -1.802 -9.762 70 1HG GLN 18 2HG GLN 18 3.071 0.928 -9.029 71 2HG GLN 18 1HG GLN 18 3.598 0.451 -10.643 72 1HE2 GLN 18 1HE2 GLN 18 0.969 1.343 -9.689 73 2HE2 GLN 18 2HE2 GLN 18 -0.142 0.081 -10.101 74 H ALA 19 H ALA 19 5.892 -2.096 -6.751 75 HA ALA 19 HA ALA 19 5.909 -4.811 -7.570 76 1HB ALA 19 1HB ALA 19 7.940 -5.009 -6.261 77 2HB ALA 19 2HB ALA 19 7.597 -3.475 -5.460 78 3HB ALA 19 3HB ALA 19 7.955 -3.508 -7.186 79 H VAL 20 H VAL 20 4.606 -3.212 -4.780 80 HA VAL 20 HA VAL 20 4.755 -5.648 -3.159 81 HB VAL 20 HB VAL 20 3.532 -3.008 -2.334 82 1HG1 VAL 20 1HG1 VAL 20 4.725 -5.285 -0.750 83 2HG1 VAL 20 2HG1 VAL 20 3.006 -4.933 -0.935 84 3HG1 VAL 20 3HG1 VAL 20 4.051 -3.804 -0.071 85 1HG2 VAL 20 1HG2 VAL 20 5.679 -2.415 -1.303 86 2HG2 VAL 20 2HG2 VAL 20 5.834 -2.569 -3.055 87 3HG2 VAL 20 3HG2 VAL 20 6.414 -3.858 -2.001 88 H THR 21 H THR 21 2.725 -3.639 -4.999 89 HA THR 21 HA THR 21 0.247 -4.767 -4.074 90 HB THR 21 HB THR 21 0.730 -2.997 -6.473 91 HG1 THR 21 HG1 THR 21 1.581 -1.928 -4.675 92 1HG2 THR 21 1HG2 THR 21 -1.554 -2.330 -6.097 93 2HG2 THR 21 2HG2 THR 21 -1.634 -3.362 -4.668 94 3HG2 THR 21 3HG2 THR 21 -1.459 -4.084 -6.266 95 H THR 22 H THR 22 2.478 -5.236 -6.759 96 HA THR 22 HA THR 22 0.757 -7.032 -8.158 97 HB THR 22 HB THR 22 2.999 -7.845 -9.163 98 HG1 THR 22 HG1 THR 22 3.988 -5.387 -8.191 99 1HG2 THR 22 1HG2 THR 22 3.112 -5.910 -10.647 100 2HG2 THR 22 2HG2 THR 22 2.174 -4.960 -9.495 101 3HG2 THR 22 3HG2 THR 22 1.436 -6.338 -10.308 102 H THR 23 H THR 23 3.105 -7.290 -5.567 103 HA THR 23 HA THR 23 2.947 -10.143 -5.407 104 HB THR 23 HB THR 23 3.846 -8.193 -3.282 105 HG1 THR 23 HG1 THR 23 5.139 -7.921 -5.100 106 1HG2 THR 23 1HG2 THR 23 5.108 -10.104 -2.412 107 2HG2 THR 23 2HG2 THR 23 4.430 -11.132 -3.676 108 3HG2 THR 23 3HG2 THR 23 3.378 -10.450 -2.435 109 H TYR 24 H TYR 24 1.432 -7.465 -3.508 110 HA TYR 24 HA TYR 24 -0.501 -9.459 -2.539 111 1HB TYR 24 2HB TYR 24 0.156 -6.776 -1.322 112 2HB TYR 24 1HB TYR 24 -0.842 -8.023 -0.617 113 HD1 TYR 24 HD1 TYR 24 0.255 -10.067 0.337 114 HD2 TYR 24 HD2 TYR 24 2.511 -6.807 -1.213 115 HE1 TYR 24 HE1 TYR 24 2.266 -10.900 1.493 116 HE2 TYR 24 HE2 TYR 24 4.517 -7.637 -0.075 117 HH TYR 24 HH TYR 24 5.039 -9.052 1.913 118 H SER 25 H SER 25 -2.002 -9.310 -4.186 119 HA SER 25 HA SER 25 -2.821 -6.949 -5.444 120 1HB SER 25 2HB SER 25 -4.757 -8.349 -6.213 121 2HB SER 25 1HB SER 25 -3.179 -9.061 -6.519 122 HG SER 25 HG SER 25 -3.522 -10.559 -5.015 123 H ASN 26 H ASN 26 -3.419 -7.967 -2.312 124 HA ASN 26 HA ASN 26 -6.044 -6.834 -2.002 125 1HB ASN 26 2HB ASN 26 -5.779 -7.282 0.351 126 2HB ASN 26 1HB ASN 26 -5.158 -8.663 -0.538 127 1HD2 ASN 26 1HD2 ASN 26 -4.474 -6.203 1.703 128 2HD2 ASN 26 2HD2 ASN 26 -2.803 -6.574 1.944 129 H ILE 27 H ILE 27 -2.913 -5.602 -2.264 130 HA ILE 27 HA ILE 27 -3.427 -3.164 -0.779 131 HB ILE 27 HB ILE 27 -1.266 -3.477 -2.845 132 1HG1 ILE 27 2HG1 ILE 27 -1.300 -4.682 -0.094 133 2HG1 ILE 27 1HG1 ILE 27 -0.934 -5.439 -1.616 134 1HG2 ILE 27 1HG2 ILE 27 -1.591 -1.274 -1.869 135 2HG2 ILE 27 2HG2 ILE 27 -0.049 -1.953 -1.350 136 3HG2 ILE 27 3HG2 ILE 27 -1.427 -1.949 -0.249 137 1HD1 ILE 27 1HD1 ILE 27 0.761 -3.390 -0.221 138 2HD1 ILE 27 2HD1 ILE 27 1.126 -4.151 -1.768 139 3HD1 ILE 27 3HD1 ILE 27 1.066 -5.126 -0.299 140 H THR 28 H THR 28 -3.842 -1.109 -1.787 141 HA THR 28 HA THR 28 -4.595 -1.304 -4.620 142 HB THR 28 HB THR 28 -6.612 0.190 -4.051 143 HG1 THR 28 HG1 THR 28 -5.851 -0.751 -1.497 144 1HG2 THR 28 1HG2 THR 28 -6.824 -2.114 -4.836 145 2HG2 THR 28 2HG2 THR 28 -8.041 -1.749 -3.615 146 3HG2 THR 28 3HG2 THR 28 -6.623 -2.702 -3.186 147 H LEU 29 H LEU 29 -3.639 0.211 -5.750 148 HA LEU 29 HA LEU 29 -2.453 2.482 -4.383 149 1HB LEU 29 2HB LEU 29 -1.422 0.929 -6.263 150 2HB LEU 29 1HB LEU 29 -2.243 2.044 -7.336 151 HG LEU 29 HG LEU 29 -0.250 2.924 -5.247 152 1HD1 LEU 29 1HD1 LEU 29 0.186 2.397 -8.180 153 2HD1 LEU 29 2HD1 LEU 29 0.854 1.461 -6.843 154 3HD1 LEU 29 3HD1 LEU 29 1.348 3.137 -7.079 155 1HD2 LEU 29 1HD2 LEU 29 -1.347 4.318 -7.675 156 2HD2 LEU 29 2HD2 LEU 29 -0.184 4.981 -6.526 157 3HD2 LEU 29 3HD2 LEU 29 -1.837 4.633 -6.013 158 H GLU 30 H GLU 30 -3.776 4.103 -4.019 159 HA GLU 30 HA GLU 30 -5.704 4.864 -6.113 160 1HB GLU 30 2HB GLU 30 -6.213 4.084 -3.481 161 2HB GLU 30 1HB GLU 30 -6.324 5.837 -3.441 162 1HG GLU 30 2HG GLU 30 -7.809 4.148 -5.433 163 2HG GLU 30 1HG GLU 30 -8.471 4.600 -3.864 164 H ASP 31 H ASP 31 -6.260 7.179 -6.087 165 HA ASP 31 HA ASP 31 -5.659 9.336 -6.383 166 1HB ASP 31 2HB ASP 31 -4.167 8.752 -3.844 167 2HB ASP 31 1HB ASP 31 -4.072 10.333 -4.619 168 H ASP 32 H ASP 32 -4.238 7.274 -7.748 169 HA ASP 32 HA ASP 32 -1.453 7.920 -7.846 170 1HB ASP 32 2HB ASP 32 -2.281 5.687 -8.392 171 2HB ASP 32 1HB ASP 32 -3.189 6.334 -9.747 172 H GLN 33 H GLN 33 -1.170 10.061 -8.339 173 HA GLN 33 HA GLN 33 -2.092 10.880 -11.018 174 1HB GLN 33 2HB GLN 33 -2.026 13.178 -10.281 175 2HB GLN 33 1HB GLN 33 -2.990 12.245 -9.147 176 1HG GLN 33 2HG GLN 33 -1.058 12.135 -7.631 177 2HG GLN 33 1HG GLN 33 -0.150 13.146 -8.754 178 1HE2 GLN 33 1HE2 GLN 33 -0.716 15.317 -8.991 179 2HE2 GLN 33 2HE2 GLN 33 -1.704 16.139 -7.830 180 H GLY 34 H GLY 34 0.513 9.679 -9.526 181 1HA GLY 34 2HA GLY 34 2.492 9.522 -11.005 182 2HA GLY 34 1HA GLY 34 2.370 11.265 -11.193 183 H SER 35 H SER 35 2.879 12.624 -9.393 184 HA SER 35 HA SER 35 4.972 11.447 -7.743 185 1HB SER 35 2HB SER 35 5.346 13.591 -8.974 186 2HB SER 35 1HB SER 35 4.122 14.346 -7.953 187 HG SER 35 HG SER 35 5.488 13.598 -6.148 188 H HIS 36 H HIS 36 1.725 11.852 -7.479 189 HA HIS 36 HA HIS 36 1.916 11.593 -4.560 190 1HB HIS 36 2HB HIS 36 0.021 13.324 -6.118 191 2HB HIS 36 1HB HIS 36 -0.491 12.622 -4.590 192 HD1 HIS 36 HD1 HIS 36 0.267 15.731 -5.498 193 HD2 HIS 36 HD2 HIS 36 2.196 13.202 -2.823 194 HE1 HIS 36 HE1 HIS 36 1.524 17.238 -3.931 195 HE2 HIS 36 HE2 HIS 36 2.472 15.692 -2.178 196 H PHE 37 H PHE 37 0.840 9.901 -3.742 197 HA PHE 37 HA PHE 37 -1.469 8.727 -4.839 198 1HB PHE 37 2HB PHE 37 -0.482 6.558 -5.558 199 2HB PHE 37 1HB PHE 37 0.011 7.898 -6.589 200 HD1 PHE 37 HD1 PHE 37 1.095 5.337 -4.264 201 HD2 PHE 37 HD2 PHE 37 2.309 8.788 -6.445 202 HE1 PHE 37 HE1 PHE 37 3.452 4.743 -3.891 203 HE2 PHE 37 HE2 PHE 37 4.666 8.196 -6.073 204 HZ PHE 37 HZ PHE 37 5.238 6.171 -4.795 205 H ARG 38 H ARG 38 -2.203 6.912 -3.542 206 HA ARG 38 HA ARG 38 -0.517 6.338 -1.186 207 1HB ARG 38 2HB ARG 38 -2.512 6.441 0.277 208 2HB ARG 38 1HB ARG 38 -2.093 7.998 -0.423 209 1HG ARG 38 2HG ARG 38 -3.883 7.824 -2.015 210 2HG ARG 38 1HG ARG 38 -4.243 6.179 -1.484 211 1HD ARG 38 2HD ARG 38 -4.929 6.966 0.676 212 2HD ARG 38 1HD ARG 38 -4.395 8.604 0.301 213 HE ARG 38 HE ARG 38 -6.180 8.636 -1.423 214 1HH1 ARG 38 1HH1 ARG 38 -6.416 6.387 1.265 215 2HH1 ARG 38 2HH1 ARG 38 -8.146 6.273 1.178 216 1HH2 ARG 38 1HH2 ARG 38 -8.449 8.512 -1.502 217 2HH2 ARG 38 2HH2 ARG 38 -9.297 7.497 -0.374 218 H LEU 39 H LEU 39 -0.911 4.330 -0.152 219 HA LEU 39 HA LEU 39 -2.368 2.411 -1.847 220 1HB LEU 39 2HB LEU 39 -0.209 1.859 0.181 221 2HB LEU 39 1HB LEU 39 -1.020 0.663 -0.790 222 HG LEU 39 HG LEU 39 0.671 2.855 -1.950 223 1HD1 LEU 39 1HD1 LEU 39 2.374 1.106 -2.266 224 2HD1 LEU 39 2HD1 LEU 39 1.369 -0.021 -1.356 225 3HD1 LEU 39 3HD1 LEU 39 2.047 1.396 -0.557 226 1HD2 LEU 39 1HD2 LEU 39 0.623 1.446 -3.944 227 2HD2 LEU 39 2HD2 LEU 39 -1.001 1.932 -3.461 228 3HD2 LEU 39 3HD2 LEU 39 -0.427 0.303 -3.108 229 H VAL 40 H VAL 40 -4.176 1.663 -1.100 230 HA VAL 40 HA VAL 40 -4.701 1.657 1.781 231 HB VAL 40 HB VAL 40 -6.606 1.036 -0.489 232 1HG1 VAL 40 1HG1 VAL 40 -7.108 1.560 2.435 233 2HG1 VAL 40 2HG1 VAL 40 -7.271 0.011 1.605 234 3HG1 VAL 40 3HG1 VAL 40 -8.351 1.349 1.202 235 1HG2 VAL 40 1HG2 VAL 40 -7.541 3.261 -0.108 236 2HG2 VAL 40 2HG2 VAL 40 -5.850 3.354 -0.600 237 3HG2 VAL 40 3HG2 VAL 40 -6.290 3.585 1.092 238 H VAL 41 H VAL 41 -4.155 -0.153 2.820 239 HA VAL 41 HA VAL 41 -3.890 -2.651 1.348 240 HB VAL 41 HB VAL 41 -3.419 -2.234 4.301 241 1HG1 VAL 41 1HG1 VAL 41 -3.633 -4.548 3.602 242 2HG1 VAL 41 2HG1 VAL 41 -1.966 -4.195 4.057 243 3HG1 VAL 41 3HG1 VAL 41 -2.410 -4.304 2.354 244 1HG2 VAL 41 1HG2 VAL 41 -1.061 -1.900 3.789 245 2HG2 VAL 41 2HG2 VAL 41 -2.049 -0.649 3.032 246 3HG2 VAL 41 3HG2 VAL 41 -1.412 -1.978 2.062 247 H ARG 42 H ARG 42 -5.599 -3.936 1.114 248 HA ARG 42 HA ARG 42 -7.775 -3.636 3.046 249 1HB ARG 42 2HB ARG 42 -7.828 -4.868 0.293 250 2HB ARG 42 1HB ARG 42 -9.211 -4.685 1.356 251 1HG ARG 42 2HG ARG 42 -9.038 -2.283 1.246 252 2HG ARG 42 1HG ARG 42 -7.576 -2.405 0.266 253 1HD ARG 42 2HD ARG 42 -8.784 -2.582 -1.593 254 2HD ARG 42 1HD ARG 42 -9.684 -3.942 -0.927 255 HE ARG 42 HE ARG 42 -11.382 -2.505 -0.293 256 1HH1 ARG 42 1HH1 ARG 42 -8.669 -0.667 -1.552 257 2HH1 ARG 42 2HH1 ARG 42 -9.585 0.801 -1.713 258 1HH2 ARG 42 1HH2 ARG 42 -12.582 -0.576 -0.529 259 2HH2 ARG 42 2HH2 ARG 42 -11.798 0.852 -1.135 260 H ASP 43 H ASP 43 -9.002 -5.503 3.582 261 HA ASP 43 HA ASP 43 -7.261 -7.699 4.373 262 1HB ASP 43 2HB ASP 43 -8.464 -6.801 6.190 263 2HB ASP 43 1HB ASP 43 -9.940 -6.650 5.264 264 H THR 44 H THR 44 -8.635 -9.865 4.518 265 HA THR 44 HA THR 44 -8.893 -10.857 1.917 266 HB THR 44 HB THR 44 -10.019 -12.830 3.082 267 HG1 THR 44 HG1 THR 44 -9.353 -11.284 5.404 268 1HG2 THR 44 1HG2 THR 44 -7.619 -12.773 2.651 269 2HG2 THR 44 2HG2 THR 44 -7.944 -13.506 4.222 270 3HG2 THR 44 3HG2 THR 44 -7.363 -11.844 4.129 271 H GLU 45 H GLU 45 -11.181 -9.247 3.942 272 HA GLU 45 HA GLU 45 -13.458 -10.102 2.340 273 1HB GLU 45 2HB GLU 45 -13.614 -9.906 4.819 274 2HB GLU 45 1HB GLU 45 -13.343 -8.177 4.669 275 1HG GLU 45 2HG GLU 45 -15.691 -8.676 4.983 276 2HG GLU 45 1HG GLU 45 -15.407 -7.950 3.401 277 H GLY 46 H GLY 46 -11.066 -7.847 2.049 278 1HA GLY 46 2HA GLY 46 -10.912 -6.163 0.430 279 2HA GLY 46 1HA GLY 46 -12.660 -6.203 0.249 280 H ARG 47 H ARG 47 -11.794 -6.123 3.461 281 HA ARG 47 HA ARG 47 -12.841 -3.524 3.899 282 1HB ARG 47 2HB ARG 47 -11.274 -5.344 5.736 283 2HB ARG 47 1HB ARG 47 -12.221 -3.956 6.235 284 1HG ARG 47 2HG ARG 47 -14.238 -5.015 5.830 285 2HG ARG 47 1HG ARG 47 -13.504 -6.205 4.752 286 1HD ARG 47 2HD ARG 47 -14.126 -7.160 6.938 287 2HD ARG 47 1HD ARG 47 -12.399 -7.272 6.608 288 HE ARG 47 HE ARG 47 -13.484 -5.114 8.296 289 1HH1 ARG 47 1HH1 ARG 47 -11.298 -7.806 7.792 290 2HH1 ARG 47 2HH1 ARG 47 -10.498 -7.609 9.328 291 1HH2 ARG 47 1HH2 ARG 47 -12.444 -4.848 10.306 292 2HH2 ARG 47 2HH2 ARG 47 -11.133 -5.904 10.753 293 H MET 48 H MET 48 -11.781 -1.602 3.949 294 HA MET 48 HA MET 48 -8.960 -1.519 3.467 295 1HB MET 48 2HB MET 48 -9.345 1.009 3.933 296 2HB MET 48 1HB MET 48 -9.978 0.287 2.468 297 1HG MET 48 2HG MET 48 -11.621 0.673 4.956 298 2HG MET 48 1HG MET 48 -11.496 1.882 3.681 299 1HE MET 48 1HE MET 48 -15.099 0.530 3.063 300 2HE MET 48 2HE MET 48 -14.092 1.960 3.289 301 3HE MET 48 3HE MET 48 -14.310 0.819 4.616 302 H VAL 49 H VAL 49 -7.942 -2.489 5.117 303 HA VAL 49 HA VAL 49 -8.520 -1.909 7.857 304 HB VAL 49 HB VAL 49 -6.085 -3.305 6.733 305 1HG1 VAL 49 1HG1 VAL 49 -6.011 -4.415 8.904 306 2HG1 VAL 49 2HG1 VAL 49 -7.399 -3.468 9.440 307 3HG1 VAL 49 3HG1 VAL 49 -5.872 -2.664 9.070 308 1HG2 VAL 49 1HG2 VAL 49 -8.758 -4.471 7.493 309 2HG2 VAL 49 2HG2 VAL 49 -7.314 -5.400 7.095 310 3HG2 VAL 49 3HG2 VAL 49 -8.072 -4.382 5.870 311 H TRP 50 H TRP 50 -6.117 -0.885 5.504 312 HA TRP 50 HA TRP 50 -5.304 1.265 7.273 313 1HB TRP 50 2HB TRP 50 -3.808 -0.516 7.983 314 2HB TRP 50 1HB TRP 50 -3.361 -0.853 6.315 315 HD1 TRP 50 HD1 TRP 50 -1.264 0.339 5.441 316 HE1 TRP 50 HE1 TRP 50 0.247 2.247 6.271 317 HE3 TRP 50 HE3 TRP 50 -4.010 1.853 9.481 318 HZ2 TRP 50 HZ2 TRP 50 0.275 4.144 8.359 319 HZ3 TRP 50 HZ3 TRP 50 -3.169 3.722 10.840 320 HH2 TRP 50 HH2 TRP 50 -1.071 4.842 10.290 321 H ARG 51 H ARG 51 -4.188 2.936 6.181 322 HA ARG 51 HA ARG 51 -3.682 2.673 3.336 323 1HB ARG 51 2HB ARG 51 -5.015 4.700 2.792 324 2HB ARG 51 1HB ARG 51 -6.014 3.343 3.301 325 1HG ARG 51 2HG ARG 51 -6.165 4.324 5.546 326 2HG ARG 51 1HG ARG 51 -5.184 5.686 5.012 327 1HD ARG 51 2HD ARG 51 -6.968 6.105 3.263 328 2HD ARG 51 1HD ARG 51 -7.961 4.934 4.136 329 HE ARG 51 HE ARG 51 -6.930 7.441 5.315 330 1HH1 ARG 51 1HH1 ARG 51 -9.421 4.994 5.002 331 2HH1 ARG 51 2HH1 ARG 51 -10.478 5.727 6.166 332 1HH2 ARG 51 1HH2 ARG 51 -8.310 8.423 6.833 333 2HH2 ARG 51 2HH2 ARG 51 -9.853 7.695 7.198 334 H ALA 52 H ALA 52 -2.022 3.972 2.702 335 HA ALA 52 HA ALA 52 -1.230 6.199 4.415 336 1HB ALA 52 1HB ALA 52 -0.039 4.259 5.338 337 2HB ALA 52 2HB ALA 52 1.072 5.425 4.619 338 3HB ALA 52 3HB ALA 52 0.666 3.944 3.751 339 H TRP 53 H TRP 53 -0.052 7.777 3.357 340 HA TRP 53 HA TRP 53 -0.090 7.685 0.478 341 1HB TRP 53 2HB TRP 53 0.944 9.749 2.428 342 2HB TRP 53 1HB TRP 53 0.966 9.947 0.699 343 HD1 TRP 53 HD1 TRP 53 -1.257 10.032 3.628 344 HE1 TRP 53 HE1 TRP 53 -3.511 11.080 2.968 345 HE3 TRP 53 HE3 TRP 53 -0.603 10.164 -1.399 346 HZ2 TRP 53 HZ2 TRP 53 -4.847 11.854 0.593 347 HZ3 TRP 53 HZ3 TRP 53 -2.400 11.070 -2.814 348 HH2 TRP 53 HH2 TRP 53 -4.478 11.897 -1.839 349 H ASN 54 H ASN 54 2.115 8.985 -0.215 350 HA ASN 54 HA ASN 54 4.124 6.879 0.153 351 1HB ASN 54 2HB ASN 54 4.635 7.091 -2.035 352 2HB ASN 54 1HB ASN 54 3.114 7.962 -2.153 353 1HD2 ASN 54 1HD2 ASN 54 6.548 8.170 -2.182 354 2HD2 ASN 54 2HD2 ASN 54 6.661 9.834 -2.666 355 H PHE 55 H PHE 55 3.477 10.140 0.865 356 HA PHE 55 HA PHE 55 6.309 10.790 1.206 357 1HB PHE 55 2HB PHE 55 5.502 13.139 1.456 358 2HB PHE 55 1HB PHE 55 5.103 12.419 -0.097 359 HD1 PHE 55 HD1 PHE 55 2.828 12.077 -0.758 360 HD2 PHE 55 HD2 PHE 55 3.747 13.516 3.146 361 HE1 PHE 55 HE1 PHE 55 0.469 12.685 -0.433 362 HE2 PHE 55 HE2 PHE 55 1.383 14.118 3.479 363 HZ PHE 55 HZ PHE 55 -0.258 13.706 1.688 364 H GLU 56 H GLU 56 4.273 9.251 3.063 365 HA GLU 56 HA GLU 56 4.382 10.880 5.438 366 1HB GLU 56 2HB GLU 56 3.414 8.059 4.975 367 2HB GLU 56 1HB GLU 56 3.381 8.848 6.548 368 1HG GLU 56 2HG GLU 56 2.002 10.662 5.495 369 2HG GLU 56 1HG GLU 56 1.899 9.646 4.059 370 HA PRO 57 HA PRO 57 8.384 10.367 6.925 371 1HB PRO 57 2HB PRO 57 7.526 9.391 9.503 372 2HB PRO 57 1HB PRO 57 8.152 10.981 9.071 373 1HG PRO 57 2HG PRO 57 5.370 10.094 9.395 374 2HG PRO 57 1HG PRO 57 6.042 11.733 9.450 375 1HD PRO 57 2HD PRO 57 4.506 10.882 7.407 376 2HD PRO 57 1HD PRO 57 5.851 12.017 7.160 377 H ASP 58 H ASP 58 6.295 7.702 8.053 378 HA ASP 58 HA ASP 58 8.225 5.836 6.924 379 1HB ASP 58 2HB ASP 58 8.586 6.284 9.498 380 2HB ASP 58 1HB ASP 58 7.198 5.213 9.669 381 H ALA 59 H ALA 59 6.172 6.151 5.524 382 HA ALA 59 HA ALA 59 3.714 5.041 6.266 383 1HB ALA 59 1HB ALA 59 4.991 5.096 3.533 384 2HB ALA 59 2HB ALA 59 4.040 6.394 4.257 385 3HB ALA 59 3HB ALA 59 3.278 4.850 3.869 386 H GLY 60 H GLY 60 6.676 3.544 5.221 387 1HA GLY 60 2HA GLY 60 5.711 1.027 4.466 388 2HA GLY 60 1HA GLY 60 7.341 1.371 5.018 389 H GLU 61 H GLU 61 6.475 2.302 7.661 390 HA GLU 61 HA GLU 61 6.719 -0.116 9.032 391 1HB GLU 61 2HB GLU 61 6.978 2.432 9.765 392 2HB GLU 61 1HB GLU 61 5.348 2.172 10.366 393 1HG GLU 61 2HG GLU 61 7.762 0.538 11.120 394 2HG GLU 61 1HG GLU 61 7.071 1.843 12.080 395 H GLY 62 H GLY 62 3.818 1.875 8.478 396 1HA GLY 62 2HA GLY 62 2.061 0.140 9.883 397 2HA GLY 62 1HA GLY 62 1.581 1.399 8.755 398 H LEU 63 H LEU 63 2.825 0.518 6.457 399 HA LEU 63 HA LEU 63 0.992 -1.359 5.454 400 1HB LEU 63 2HB LEU 63 3.722 -0.651 4.368 401 2HB LEU 63 1HB LEU 63 2.423 -1.413 3.471 402 HG LEU 63 HG LEU 63 2.234 1.360 4.651 403 1HD1 LEU 63 1HD1 LEU 63 3.967 1.385 2.999 404 2HD1 LEU 63 2HD1 LEU 63 2.521 2.129 2.317 405 3HD1 LEU 63 3HD1 LEU 63 2.962 0.482 1.866 406 1HD2 LEU 63 1HD2 LEU 63 0.323 1.594 3.184 407 2HD2 LEU 63 2HD2 LEU 63 0.099 0.218 4.266 408 3HD2 LEU 63 3HD2 LEU 63 0.555 -0.048 2.585 409 H ASN 64 H ASN 64 4.464 -1.764 6.192 410 HA ASN 64 HA ASN 64 4.534 -4.534 5.684 411 1HB ASN 64 2HB ASN 64 6.309 -2.806 7.407 412 2HB ASN 64 1HB ASN 64 6.639 -4.498 7.058 413 1HD2 ASN 64 1HD2 ASN 64 8.129 -2.084 6.436 414 2HD2 ASN 64 2HD2 ASN 64 8.374 -2.094 4.730 415 H ARG 65 H ARG 65 3.712 -2.678 8.529 416 HA ARG 65 HA ARG 65 3.775 -4.588 10.531 417 1HB ARG 65 2HB ARG 65 3.037 -2.056 10.516 418 2HB ARG 65 1HB ARG 65 1.430 -2.734 10.298 419 1HG ARG 65 2HG ARG 65 1.695 -2.352 12.605 420 2HG ARG 65 1HG ARG 65 1.853 -4.095 12.372 421 1HD ARG 65 2HD ARG 65 4.255 -3.937 12.478 422 2HD ARG 65 1HD ARG 65 4.171 -2.179 12.560 423 HE ARG 65 HE ARG 65 2.837 -3.666 14.685 424 1HH1 ARG 65 1HH1 ARG 65 5.576 -1.746 13.624 425 2HH1 ARG 65 2HH1 ARG 65 6.183 -1.510 15.239 426 1HH2 ARG 65 1HH2 ARG 65 3.612 -3.332 16.794 427 2HH2 ARG 65 2HH2 ARG 65 5.058 -2.395 17.045 428 H TYR 66 H TYR 66 1.209 -3.872 8.196 429 HA TYR 66 HA TYR 66 -0.383 -6.117 9.062 430 1HB TYR 66 2HB TYR 66 -1.436 -4.057 8.229 431 2HB TYR 66 1HB TYR 66 -0.689 -4.311 6.656 432 HD1 TYR 66 HD1 TYR 66 -1.583 -5.865 5.100 433 HD2 TYR 66 HD2 TYR 66 -3.243 -5.563 9.001 434 HE1 TYR 66 HE1 TYR 66 -3.507 -7.219 4.381 435 HE2 TYR 66 HE2 TYR 66 -5.176 -6.911 8.294 436 HH TYR 66 HH TYR 66 -6.341 -7.510 6.252 437 H ILE 67 H ILE 67 1.695 -5.350 6.301 438 HA ILE 67 HA ILE 67 1.165 -7.530 4.656 439 HB ILE 67 HB ILE 67 3.731 -6.001 5.077 440 1HG1 ILE 67 2HG1 ILE 67 1.726 -5.866 2.819 441 2HG1 ILE 67 1HG1 ILE 67 1.759 -4.756 4.186 442 1HG2 ILE 67 1HG2 ILE 67 3.087 -7.994 2.917 443 2HG2 ILE 67 2HG2 ILE 67 4.312 -8.160 4.175 444 3HG2 ILE 67 3HG2 ILE 67 4.488 -6.924 2.928 445 1HD1 ILE 67 1HD1 ILE 67 4.023 -4.050 3.531 446 2HD1 ILE 67 2HD1 ILE 67 2.824 -3.754 2.269 447 3HD1 ILE 67 3HD1 ILE 67 3.928 -5.123 2.133 448 H ARG 68 H ARG 68 3.605 -7.272 7.228 449 HA ARG 68 HA ARG 68 4.765 -9.793 6.755 450 1HB ARG 68 2HB ARG 68 5.987 -8.169 8.025 451 2HB ARG 68 1HB ARG 68 4.708 -8.066 9.231 452 1HG ARG 68 2HG ARG 68 5.120 -10.419 9.816 453 2HG ARG 68 1HG ARG 68 6.471 -10.438 8.683 454 1HD ARG 68 2HD ARG 68 7.579 -8.677 9.974 455 2HD ARG 68 1HD ARG 68 6.221 -8.656 11.104 456 HE ARG 68 HE ARG 68 8.140 -10.868 10.747 457 1HH1 ARG 68 1HH1 ARG 68 5.714 -9.194 12.640 458 2HH1 ARG 68 2HH1 ARG 68 5.826 -10.287 13.987 459 1HH2 ARG 68 1HH2 ARG 68 8.284 -12.315 12.521 460 2HH2 ARG 68 2HH2 ARG 68 7.275 -12.064 13.920 461 H THR 69 H THR 69 2.265 -8.775 9.054 462 HA THR 69 HA THR 69 2.136 -11.365 10.263 463 HB THR 69 HB THR 69 0.236 -10.344 11.536 464 HG1 THR 69 HG1 THR 69 0.867 -7.790 10.718 465 1HG2 THR 69 1HG2 THR 69 2.502 -10.248 12.414 466 2HG2 THR 69 2HG2 THR 69 1.639 -8.756 12.787 467 3HG2 THR 69 3HG2 THR 69 2.820 -8.789 11.478 468 H SER 70 H SER 70 0.213 -9.543 7.944 469 HA SER 70 HA SER 70 -1.722 -11.770 7.882 470 1HB SER 70 2HB SER 70 -2.508 -8.873 7.626 471 2HB SER 70 1HB SER 70 -3.549 -10.263 7.933 472 HG SER 70 HG SER 70 -1.530 -9.325 9.702 473 H GLY 71 H GLY 71 0.536 -10.749 6.024 474 1HA GLY 71 2HA GLY 71 -0.366 -9.672 3.683 475 2HA GLY 71 1HA GLY 71 0.887 -10.897 3.756 476 H ILE 72 H ILE 72 -1.520 -10.215 1.972 477 HA ILE 72 HA ILE 72 -3.106 -12.649 2.112 478 HB ILE 72 HB ILE 72 -3.381 -10.082 0.537 479 1HG1 ILE 72 2HG1 ILE 72 -5.650 -10.116 1.696 480 2HG1 ILE 72 1HG1 ILE 72 -5.033 -11.449 2.660 481 1HG2 ILE 72 1HG2 ILE 72 -5.112 -12.525 0.202 482 2HG2 ILE 72 2HG2 ILE 72 -4.060 -11.806 -1.018 483 3HG2 ILE 72 3HG2 ILE 72 -5.469 -10.920 -0.436 484 1HD1 ILE 72 1HD1 ILE 72 -4.877 -9.345 3.846 485 2HD1 ILE 72 2HD1 ILE 72 -3.890 -8.669 2.549 486 3HD1 ILE 72 3HD1 ILE 72 -3.273 -10.001 3.527 487 H ARG 73 H ARG 73 -0.200 -12.196 1.123 488 HA ARG 73 HA ARG 73 0.193 -12.432 -1.572 489 1HB ARG 73 2HB ARG 73 2.376 -13.144 -1.104 490 2HB ARG 73 1HB ARG 73 1.892 -12.180 0.280 491 1HG ARG 73 2HG ARG 73 1.378 -14.234 1.519 492 2HG ARG 73 1HG ARG 73 1.906 -15.183 0.134 493 1HD ARG 73 2HD ARG 73 4.135 -14.017 0.337 494 2HD ARG 73 1HD ARG 73 3.569 -13.397 1.889 495 HE ARG 73 HE ARG 73 3.187 -16.164 1.908 496 1HH1 ARG 73 1HH1 ARG 73 5.841 -13.861 1.848 497 2HH1 ARG 73 2HH1 ARG 73 6.985 -14.974 2.539 498 1HH2 ARG 73 1HH2 ARG 73 4.698 -17.613 2.865 499 2HH2 ARG 73 2HH2 ARG 73 6.338 -17.084 3.116 500 H THR 74 H THR 74 -1.373 -14.835 0.226 501 HA THR 74 HA THR 74 -0.558 -17.121 -1.257 502 HB THR 74 HB THR 74 -1.704 -17.363 0.894 503 HG1 THR 74 HG1 THR 74 -2.900 -18.448 -1.430 504 1HG2 THR 74 1HG2 THR 74 -4.085 -16.920 1.126 505 2HG2 THR 74 2HG2 THR 74 -4.148 -16.301 -0.524 506 3HG2 THR 74 3HG2 THR 74 -3.224 -15.437 0.706 507 H ASP 75 H ASP 75 -1.798 -14.390 -2.399 508 HA ASP 75 HA ASP 75 -3.723 -15.514 -4.242 509 1HB ASP 75 2HB ASP 75 -3.889 -13.259 -5.181 510 2HB ASP 75 1HB ASP 75 -4.137 -13.250 -3.442 Start of MODEL 12 1 H GLY 10 H GLY 10 11.152 2.312 5.438 2 1HA GLY 10 2HA GLY 10 9.660 3.885 6.228 3 2HA GLY 10 1HA GLY 10 10.748 5.131 5.638 4 HA PRO 11 HA PRO 11 7.543 5.999 2.654 5 1HB PRO 11 2HB PRO 11 9.642 7.479 1.217 6 2HB PRO 11 1HB PRO 11 8.127 8.069 1.905 7 1HG PRO 11 2HG PRO 11 10.501 8.670 2.998 8 2HG PRO 11 1HG PRO 11 9.054 8.402 3.992 9 1HD PRO 11 2HD PRO 11 11.339 6.544 3.433 10 2HD PRO 11 1HD PRO 11 10.487 6.852 4.962 11 H PHE 12 H PHE 12 7.297 5.871 0.249 12 HA PHE 12 HA PHE 12 9.218 4.057 -1.019 13 1HB PHE 12 2HB PHE 12 7.353 2.607 -1.828 14 2HB PHE 12 1HB PHE 12 7.624 2.526 -0.092 15 HD1 PHE 12 HD1 PHE 12 6.008 3.457 1.467 16 HD2 PHE 12 HD2 PHE 12 5.315 3.546 -2.731 17 HE1 PHE 12 HE1 PHE 12 3.627 3.933 1.872 18 HE2 PHE 12 HE2 PHE 12 2.934 4.022 -2.325 19 HZ PHE 12 HZ PHE 12 2.092 4.220 -0.028 20 H THR 13 H THR 13 8.710 3.735 -3.349 21 HA THR 13 HA THR 13 7.892 6.309 -4.493 22 HB THR 13 HB THR 13 9.301 5.837 -6.360 23 HG1 THR 13 HG1 THR 13 10.078 3.851 -6.832 24 1HG2 THR 13 1HG2 THR 13 11.488 5.464 -5.338 25 2HG2 THR 13 2HG2 THR 13 10.704 4.856 -3.878 26 3HG2 THR 13 3HG2 THR 13 10.503 6.545 -4.351 27 H ARG 14 H ARG 14 7.182 5.930 -6.906 28 HA ARG 14 HA ARG 14 4.675 4.678 -6.910 29 1HB ARG 14 2HB ARG 14 5.451 6.517 -8.442 30 2HB ARG 14 1HB ARG 14 6.392 5.322 -9.309 31 1HG ARG 14 2HG ARG 14 4.357 4.107 -9.876 32 2HG ARG 14 1HG ARG 14 3.397 5.314 -9.015 33 1HD ARG 14 2HD ARG 14 4.185 7.041 -10.542 34 2HD ARG 14 1HD ARG 14 5.191 5.860 -11.379 35 HE ARG 14 HE ARG 14 2.286 5.435 -11.279 36 1HH1 ARG 14 1HH1 ARG 14 5.183 6.205 -13.106 37 2HH1 ARG 14 2HH1 ARG 14 4.421 5.967 -14.652 38 1HH2 ARG 14 1HH2 ARG 14 1.273 5.168 -13.305 39 2HH2 ARG 14 2HH2 ARG 14 2.187 5.397 -14.769 40 H ARG 15 H ARG 15 7.695 3.750 -8.523 41 HA ARG 15 HA ARG 15 6.755 1.316 -9.544 42 1HB ARG 15 2HB ARG 15 9.576 2.160 -8.896 43 2HB ARG 15 1HB ARG 15 9.136 0.780 -9.883 44 1HG ARG 15 2HG ARG 15 7.968 2.343 -11.427 45 2HG ARG 15 1HG ARG 15 8.646 3.672 -10.488 46 1HD ARG 15 2HD ARG 15 10.909 2.823 -10.963 47 2HD ARG 15 1HD ARG 15 10.202 1.550 -11.958 48 HE ARG 15 HE ARG 15 10.013 4.431 -12.552 49 1HH1 ARG 15 1HH1 ARG 15 10.148 1.084 -13.561 50 2HH1 ARG 15 2HH1 ARG 15 10.193 1.456 -15.257 51 1HH2 ARG 15 1HH2 ARG 15 10.040 4.931 -14.795 52 2HH2 ARG 15 2HH2 ARG 15 10.130 3.642 -15.959 53 H GLN 16 H GLN 16 8.340 2.090 -6.486 54 HA GLN 16 HA GLN 16 8.735 -0.557 -5.593 55 1HB GLN 16 2HB GLN 16 8.410 2.060 -4.132 56 2HB GLN 16 1HB GLN 16 8.651 0.542 -3.274 57 1HG GLN 16 2HG GLN 16 10.533 1.674 -5.335 58 2HG GLN 16 1HG GLN 16 10.726 1.830 -3.588 59 1HE2 GLN 16 1HE2 GLN 16 12.442 0.543 -5.590 60 2HE2 GLN 16 2HE2 GLN 16 12.632 -1.093 -5.072 61 H ALA 17 H ALA 17 6.132 1.761 -4.882 62 HA ALA 17 HA ALA 17 4.460 0.130 -3.381 63 1HB ALA 17 1HB ALA 17 4.058 2.503 -3.685 64 2HB ALA 17 2HB ALA 17 2.627 1.577 -4.141 65 3HB ALA 17 3HB ALA 17 3.683 2.242 -5.388 66 H GLN 18 H GLN 18 4.632 0.452 -6.903 67 HA GLN 18 HA GLN 18 2.456 -1.146 -7.576 68 1HB GLN 18 2HB GLN 18 5.006 -0.456 -9.008 69 2HB GLN 18 1HB GLN 18 3.772 -1.460 -9.748 70 1HG GLN 18 2HG GLN 18 2.154 0.317 -9.586 71 2HG GLN 18 1HG GLN 18 3.296 1.316 -8.691 72 1HE2 GLN 18 1HE2 GLN 18 1.893 1.846 -11.202 73 2HE2 GLN 18 2HE2 GLN 18 3.129 2.172 -12.368 74 H ALA 19 H ALA 19 5.809 -2.038 -6.918 75 HA ALA 19 HA ALA 19 5.562 -4.758 -7.693 76 1HB ALA 19 1HB ALA 19 7.539 -3.491 -5.794 77 2HB ALA 19 2HB ALA 19 7.725 -3.607 -7.543 78 3HB ALA 19 3HB ALA 19 7.696 -5.071 -6.560 79 H VAL 20 H VAL 20 4.771 -2.998 -4.799 80 HA VAL 20 HA VAL 20 4.694 -5.325 -3.120 81 HB VAL 20 HB VAL 20 3.290 -2.732 -2.511 82 1HG1 VAL 20 1HG1 VAL 20 2.895 -4.603 -0.989 83 2HG1 VAL 20 2HG1 VAL 20 3.832 -3.337 -0.196 84 3HG1 VAL 20 3HG1 VAL 20 4.633 -4.802 -0.767 85 1HG2 VAL 20 1HG2 VAL 20 5.536 -2.146 -3.224 86 2HG2 VAL 20 2HG2 VAL 20 6.214 -3.342 -2.120 87 3HG2 VAL 20 3HG2 VAL 20 5.362 -1.936 -1.483 88 H THR 21 H THR 21 2.512 -3.630 -5.235 89 HA THR 21 HA THR 21 0.181 -5.048 -4.323 90 HB THR 21 HB THR 21 -0.412 -4.154 -6.876 91 HG1 THR 21 HG1 THR 21 1.572 -3.024 -6.981 92 1HG2 THR 21 1HG2 THR 21 -0.693 -2.679 -4.265 93 2HG2 THR 21 2HG2 THR 21 -1.763 -3.969 -4.829 94 3HG2 THR 21 3HG2 THR 21 -1.670 -2.441 -5.714 95 H THR 22 H THR 22 2.626 -5.554 -6.800 96 HA THR 22 HA THR 22 1.216 -7.754 -7.975 97 HB THR 22 HB THR 22 3.576 -8.327 -8.874 98 HG1 THR 22 HG1 THR 22 4.978 -7.179 -7.694 99 1HG2 THR 22 1HG2 THR 22 2.296 -5.679 -9.558 100 2HG2 THR 22 2HG2 THR 22 1.850 -7.249 -10.227 101 3HG2 THR 22 3HG2 THR 22 3.437 -6.561 -10.572 102 H THR 23 H THR 23 3.046 -7.246 -5.148 103 HA THR 23 HA THR 23 3.341 -10.097 -4.667 104 HB THR 23 HB THR 23 3.893 -7.834 -2.740 105 HG1 THR 23 HG1 THR 23 5.195 -7.560 -4.581 106 1HG2 THR 23 1HG2 THR 23 5.356 -9.456 -1.650 107 2HG2 THR 23 2HG2 THR 23 4.943 -10.666 -2.861 108 3HG2 THR 23 3HG2 THR 23 3.712 -10.087 -1.739 109 H TYR 24 H TYR 24 1.551 -7.333 -3.165 110 HA TYR 24 HA TYR 24 -0.393 -9.312 -2.181 111 1HB TYR 24 2HB TYR 24 0.195 -6.577 -1.033 112 2HB TYR 24 1HB TYR 24 -0.857 -7.790 -0.345 113 HD1 TYR 24 HD1 TYR 24 0.138 -9.811 0.721 114 HD2 TYR 24 HD2 TYR 24 2.556 -6.644 -0.764 115 HE1 TYR 24 HE1 TYR 24 2.054 -10.681 1.991 116 HE2 TYR 24 HE2 TYR 24 4.482 -7.513 0.493 117 HH TYR 24 HH TYR 24 4.813 -8.942 2.589 118 H SER 25 H SER 25 -2.016 -9.256 -3.666 119 HA SER 25 HA SER 25 -2.719 -6.890 -5.092 120 1HB SER 25 2HB SER 25 -4.589 -8.380 -5.932 121 2HB SER 25 1HB SER 25 -2.957 -8.961 -6.243 122 HG SER 25 HG SER 25 -4.937 -10.122 -4.824 123 H ASN 26 H ASN 26 -3.324 -7.837 -2.002 124 HA ASN 26 HA ASN 26 -6.024 -6.847 -1.780 125 1HB ASN 26 2HB ASN 26 -5.759 -7.199 0.610 126 2HB ASN 26 1HB ASN 26 -5.154 -8.605 -0.259 127 1HD2 ASN 26 1HD2 ASN 26 -4.418 -6.101 1.925 128 2HD2 ASN 26 2HD2 ASN 26 -2.749 -6.494 2.162 129 H ILE 27 H ILE 27 -2.971 -5.510 -2.075 130 HA ILE 27 HA ILE 27 -3.592 -3.046 -0.666 131 HB ILE 27 HB ILE 27 -1.358 -3.286 -2.641 132 1HG1 ILE 27 2HG1 ILE 27 -1.376 -4.565 0.081 133 2HG1 ILE 27 1HG1 ILE 27 -1.010 -5.298 -1.459 134 1HG2 ILE 27 1HG2 ILE 27 -0.231 -1.776 -1.079 135 2HG2 ILE 27 2HG2 ILE 27 -1.620 -1.866 0.003 136 3HG2 ILE 27 3HG2 ILE 27 -1.791 -1.134 -1.593 137 1HD1 ILE 27 1HD1 ILE 27 1.018 -3.953 -1.616 138 2HD1 ILE 27 2HD1 ILE 27 0.998 -4.970 -0.175 139 3HD1 ILE 27 3HD1 ILE 27 0.659 -3.242 -0.041 140 H THR 28 H THR 28 -3.771 -0.981 -1.863 141 HA THR 28 HA THR 28 -4.436 -1.266 -4.690 142 HB THR 28 HB THR 28 -6.479 0.308 -4.159 143 HG1 THR 28 HG1 THR 28 -5.878 -0.920 -1.697 144 1HG2 THR 28 1HG2 THR 28 -7.948 -1.641 -4.114 145 2HG2 THR 28 2HG2 THR 28 -6.581 -2.672 -3.690 146 3HG2 THR 28 3HG2 THR 28 -6.628 -1.871 -5.261 147 H LEU 29 H LEU 29 -3.494 0.270 -5.806 148 HA LEU 29 HA LEU 29 -2.468 2.620 -4.439 149 1HB LEU 29 2HB LEU 29 -1.166 1.205 -6.142 150 2HB LEU 29 1HB LEU 29 -2.170 1.954 -7.365 151 HG LEU 29 HG LEU 29 -0.459 3.580 -5.484 152 1HD1 LEU 29 1HD1 LEU 29 0.262 2.557 -8.226 153 2HD1 LEU 29 2HD1 LEU 29 0.969 2.009 -6.707 154 3HD1 LEU 29 3HD1 LEU 29 1.216 3.670 -7.247 155 1HD2 LEU 29 1HD2 LEU 29 -0.643 5.273 -7.237 156 2HD2 LEU 29 2HD2 LEU 29 -2.234 4.795 -6.645 157 3HD2 LEU 29 3HD2 LEU 29 -1.648 4.181 -8.190 158 H GLU 30 H GLU 30 -3.926 4.153 -4.123 159 HA GLU 30 HA GLU 30 -5.519 5.029 -6.436 160 1HB GLU 30 2HB GLU 30 -6.460 5.006 -3.556 161 2HB GLU 30 1HB GLU 30 -7.373 5.595 -4.937 162 1HG GLU 30 2HG GLU 30 -7.199 3.261 -5.886 163 2HG GLU 30 1HG GLU 30 -6.590 2.767 -4.309 164 H ASP 31 H ASP 31 -6.306 7.332 -6.089 165 HA ASP 31 HA ASP 31 -5.877 9.536 -5.781 166 1HB ASP 31 2HB ASP 31 -4.389 8.482 -3.386 167 2HB ASP 31 1HB ASP 31 -4.465 10.199 -3.761 168 H ASP 32 H ASP 32 -4.351 8.065 -7.609 169 HA ASP 32 HA ASP 32 -1.605 8.691 -7.432 170 1HB ASP 32 2HB ASP 32 -1.544 8.057 -9.821 171 2HB ASP 32 1HB ASP 32 -2.340 6.856 -8.824 172 H GLN 33 H GLN 33 -1.035 10.704 -7.182 173 HA GLN 33 HA GLN 33 -2.135 12.758 -8.995 174 1HB GLN 33 2HB GLN 33 -2.663 12.934 -6.513 175 2HB GLN 33 1HB GLN 33 -0.947 13.202 -6.248 176 1HG GLN 33 2HG GLN 33 -0.994 15.245 -7.451 177 2HG GLN 33 1HG GLN 33 -2.628 14.937 -8.036 178 1HE2 GLN 33 1HE2 GLN 33 -1.702 14.213 -4.763 179 2HE2 GLN 33 2HE2 GLN 33 -2.622 15.476 -4.012 180 H GLY 34 H GLY 34 0.083 10.942 -9.476 181 1HA GLY 34 2HA GLY 34 1.997 11.399 -10.797 182 2HA GLY 34 1HA GLY 34 2.142 12.960 -10.000 183 H SER 35 H SER 35 3.539 13.166 -8.379 184 HA SER 35 HA SER 35 5.168 10.901 -7.659 185 1HB SER 35 2HB SER 35 5.283 13.727 -6.583 186 2HB SER 35 1HB SER 35 6.561 12.512 -6.517 187 HG SER 35 HG SER 35 7.086 12.957 -8.514 188 H HIS 36 H HIS 36 2.247 11.946 -6.596 189 HA HIS 36 HA HIS 36 2.704 10.800 -3.935 190 1HB HIS 36 2HB HIS 36 1.076 13.247 -4.607 191 2HB HIS 36 1HB HIS 36 0.891 12.363 -3.096 192 HD1 HIS 36 HD1 HIS 36 3.976 11.841 -2.649 193 HD2 HIS 36 HD2 HIS 36 2.221 15.507 -3.539 194 HE1 HIS 36 HE1 HIS 36 5.571 13.586 -1.786 195 HE2 HIS 36 HE2 HIS 36 4.410 15.792 -2.185 196 H PHE 37 H PHE 37 1.126 9.509 -3.143 197 HA PHE 37 HA PHE 37 -1.449 9.131 -4.195 198 1HB PHE 37 2HB PHE 37 -1.071 6.852 -5.195 199 2HB PHE 37 1HB PHE 37 -0.386 8.167 -6.146 200 HD1 PHE 37 HD1 PHE 37 1.963 8.382 -6.453 201 HD2 PHE 37 HD2 PHE 37 0.395 5.341 -3.927 202 HE1 PHE 37 HE1 PHE 37 4.166 7.289 -6.409 203 HE2 PHE 37 HE2 PHE 37 2.593 4.243 -3.875 204 HZ PHE 37 HZ PHE 37 4.481 5.219 -5.115 205 H ARG 38 H ARG 38 -2.352 6.962 -3.268 206 HA ARG 38 HA ARG 38 -0.888 6.321 -0.783 207 1HB ARG 38 2HB ARG 38 -3.010 6.200 0.423 208 2HB ARG 38 1HB ARG 38 -2.799 7.802 -0.275 209 1HG ARG 38 2HG ARG 38 -4.315 7.286 -2.057 210 2HG ARG 38 1HG ARG 38 -4.440 5.614 -1.519 211 1HD ARG 38 2HD ARG 38 -5.489 6.354 0.553 212 2HD ARG 38 1HD ARG 38 -5.330 8.035 0.041 213 HE ARG 38 HE ARG 38 -6.781 7.375 -1.898 214 1HH1 ARG 38 1HH1 ARG 38 -7.014 5.771 1.207 215 2HH1 ARG 38 2HH1 ARG 38 -8.631 5.204 0.935 216 1HH2 ARG 38 1HH2 ARG 38 -8.867 6.612 -2.268 217 2HH2 ARG 38 2HH2 ARG 38 -9.675 5.642 -1.073 218 H LEU 39 H LEU 39 -1.146 4.250 0.031 219 HA LEU 39 HA LEU 39 -2.345 2.307 -1.827 220 1HB LEU 39 2HB LEU 39 -0.167 1.908 0.215 221 2HB LEU 39 1HB LEU 39 -0.899 0.629 -0.709 222 HG LEU 39 HG LEU 39 0.606 2.924 -1.932 223 1HD1 LEU 39 1HD1 LEU 39 2.386 1.267 -2.309 224 2HD1 LEU 39 2HD1 LEU 39 1.477 0.094 -1.357 225 3HD1 LEU 39 3HD1 LEU 39 2.099 1.557 -0.593 226 1HD2 LEU 39 1HD2 LEU 39 0.589 1.521 -3.935 227 2HD2 LEU 39 2HD2 LEU 39 -1.048 1.922 -3.413 228 3HD2 LEU 39 3HD2 LEU 39 -0.385 0.321 -3.085 229 H VAL 40 H VAL 40 -4.219 1.631 -1.185 230 HA VAL 40 HA VAL 40 -4.935 1.676 1.642 231 HB VAL 40 HB VAL 40 -6.744 0.760 -0.579 232 1HG1 VAL 40 1HG1 VAL 40 -7.481 0.432 1.728 233 2HG1 VAL 40 2HG1 VAL 40 -8.491 1.617 0.897 234 3HG1 VAL 40 3HG1 VAL 40 -7.263 2.155 2.045 235 1HG2 VAL 40 1HG2 VAL 40 -6.222 3.621 0.225 236 2HG2 VAL 40 2HG2 VAL 40 -7.518 3.077 -0.842 237 3HG2 VAL 40 3HG2 VAL 40 -5.834 2.884 -1.331 238 H VAL 41 H VAL 41 -4.458 -0.060 2.799 239 HA VAL 41 HA VAL 41 -4.066 -2.627 1.491 240 HB VAL 41 HB VAL 41 -3.820 -2.003 4.440 241 1HG1 VAL 41 1HG1 VAL 41 -4.016 -4.361 3.940 242 2HG1 VAL 41 2HG1 VAL 41 -2.367 -3.993 4.442 243 3HG1 VAL 41 3HG1 VAL 41 -2.735 -4.243 2.735 244 1HG2 VAL 41 1HG2 VAL 41 -2.318 -0.536 3.195 245 2HG2 VAL 41 2HG2 VAL 41 -1.662 -1.926 2.327 246 3HG2 VAL 41 3HG2 VAL 41 -1.410 -1.772 4.068 247 H ARG 42 H ARG 42 -5.790 -3.831 1.131 248 HA ARG 42 HA ARG 42 -8.094 -3.623 2.932 249 1HB ARG 42 2HB ARG 42 -7.882 -4.828 0.163 250 2HB ARG 42 1HB ARG 42 -9.357 -4.677 1.105 251 1HG ARG 42 2HG ARG 42 -9.509 -2.418 0.796 252 2HG ARG 42 1HG ARG 42 -7.772 -2.219 0.573 253 1HD ARG 42 2HD ARG 42 -8.951 -1.825 -1.508 254 2HD ARG 42 1HD ARG 42 -7.940 -3.262 -1.631 255 HE ARG 42 HE ARG 42 -10.311 -4.317 -0.973 256 1HH1 ARG 42 1HH1 ARG 42 -9.506 -1.843 -3.312 257 2HH1 ARG 42 2HH1 ARG 42 -10.715 -2.351 -4.455 258 1HH2 ARG 42 1HH2 ARG 42 -11.924 -4.975 -2.481 259 2HH2 ARG 42 2HH2 ARG 42 -12.074 -4.133 -3.989 260 H ASP 43 H ASP 43 -9.299 -5.690 3.284 261 HA ASP 43 HA ASP 43 -7.350 -7.683 4.205 262 1HB ASP 43 2HB ASP 43 -9.045 -6.564 5.765 263 2HB ASP 43 1HB ASP 43 -10.271 -7.526 4.981 264 H THR 44 H THR 44 -8.942 -9.876 4.469 265 HA THR 44 HA THR 44 -8.875 -10.958 1.839 266 HB THR 44 HB THR 44 -9.916 -12.974 2.914 267 HG1 THR 44 HG1 THR 44 -9.783 -11.331 5.260 268 1HG2 THR 44 1HG2 THR 44 -7.481 -12.698 2.845 269 2HG2 THR 44 2HG2 THR 44 -7.985 -13.506 4.328 270 3HG2 THR 44 3HG2 THR 44 -7.535 -11.803 4.361 271 H GLU 45 H GLU 45 -11.282 -9.359 3.700 272 HA GLU 45 HA GLU 45 -13.516 -10.356 2.152 273 1HB GLU 45 2HB GLU 45 -13.585 -9.688 4.611 274 2HB GLU 45 1HB GLU 45 -13.475 -8.023 4.066 275 1HG GLU 45 2HG GLU 45 -15.554 -8.367 2.764 276 2HG GLU 45 1HG GLU 45 -15.678 -9.976 3.473 277 H GLY 46 H GLY 46 -11.088 -8.108 1.787 278 1HA GLY 46 2HA GLY 46 -10.713 -6.721 -0.035 279 2HA GLY 46 1HA GLY 46 -12.394 -6.904 -0.494 280 H ARG 47 H ARG 47 -12.389 -6.138 2.723 281 HA ARG 47 HA ARG 47 -13.113 -3.409 2.172 282 1HB ARG 47 2HB ARG 47 -13.665 -3.303 4.546 283 2HB ARG 47 1HB ARG 47 -14.410 -4.696 3.791 284 1HG ARG 47 2HG ARG 47 -12.844 -6.174 4.807 285 2HG ARG 47 1HG ARG 47 -11.859 -4.823 5.377 286 1HD ARG 47 2HD ARG 47 -13.296 -5.849 7.137 287 2HD ARG 47 1HD ARG 47 -13.568 -4.123 6.896 288 HE ARG 47 HE ARG 47 -15.326 -6.150 5.656 289 1HH1 ARG 47 1HH1 ARG 47 -14.873 -3.327 7.680 290 2HH1 ARG 47 2HH1 ARG 47 -16.567 -2.983 7.791 291 1HH2 ARG 47 1HH2 ARG 47 -17.544 -5.701 5.798 292 2HH2 ARG 47 2HH2 ARG 47 -18.095 -4.322 6.707 293 H MET 48 H MET 48 -12.074 -1.564 3.027 294 HA MET 48 HA MET 48 -9.216 -1.824 3.124 295 1HB MET 48 2HB MET 48 -9.251 0.656 3.491 296 2HB MET 48 1HB MET 48 -10.045 0.113 2.022 297 1HG MET 48 2HG MET 48 -12.219 0.344 3.131 298 2HG MET 48 1HG MET 48 -11.401 0.924 4.582 299 1HE MET 48 1HE MET 48 -13.761 2.485 3.102 300 2HE MET 48 2HE MET 48 -13.150 4.138 3.154 301 3HE MET 48 3HE MET 48 -12.971 3.084 4.557 302 H VAL 49 H VAL 49 -7.990 -2.126 4.807 303 HA VAL 49 HA VAL 49 -9.188 -1.904 7.483 304 HB VAL 49 HB VAL 49 -6.615 -3.316 6.790 305 1HG1 VAL 49 1HG1 VAL 49 -6.935 -2.894 9.148 306 2HG1 VAL 49 2HG1 VAL 49 -7.142 -4.618 8.819 307 3HG1 VAL 49 3HG1 VAL 49 -8.552 -3.593 9.080 308 1HG2 VAL 49 1HG2 VAL 49 -8.308 -4.294 5.391 309 2HG2 VAL 49 2HG2 VAL 49 -9.401 -4.447 6.768 310 3HG2 VAL 49 3HG2 VAL 49 -7.918 -5.400 6.708 311 H TRP 50 H TRP 50 -6.532 -0.884 5.468 312 HA TRP 50 HA TRP 50 -5.879 1.264 7.294 313 1HB TRP 50 2HB TRP 50 -4.454 -0.515 8.165 314 2HB TRP 50 1HB TRP 50 -3.852 -0.864 6.549 315 HD1 TRP 50 HD1 TRP 50 -1.695 0.348 5.844 316 HE1 TRP 50 HE1 TRP 50 -0.281 2.270 6.808 317 HE3 TRP 50 HE3 TRP 50 -4.797 1.828 9.631 318 HZ2 TRP 50 HZ2 TRP 50 -0.453 4.154 8.892 319 HZ3 TRP 50 HZ3 TRP 50 -4.096 3.702 11.064 320 HH2 TRP 50 HH2 TRP 50 -1.967 4.839 10.700 321 H ARG 51 H ARG 51 -4.668 2.933 6.251 322 HA ARG 51 HA ARG 51 -3.925 2.570 3.482 323 1HB ARG 51 2HB ARG 51 -5.287 4.541 2.738 324 2HB ARG 51 1HB ARG 51 -6.235 3.126 3.162 325 1HG ARG 51 2HG ARG 51 -7.470 4.712 4.213 326 2HG ARG 51 1HG ARG 51 -6.332 4.349 5.513 327 1HD ARG 51 2HD ARG 51 -4.907 6.238 4.570 328 2HD ARG 51 1HD ARG 51 -6.319 6.683 3.614 329 HE ARG 51 HE ARG 51 -6.742 6.422 6.483 330 1HH1 ARG 51 1HH1 ARG 51 -6.198 8.558 3.751 331 2HH1 ARG 51 2HH1 ARG 51 -6.627 9.991 4.624 332 1HH2 ARG 51 1HH2 ARG 51 -7.356 8.293 7.611 333 2HH2 ARG 51 2HH2 ARG 51 -7.337 9.837 6.817 334 H ALA 52 H ALA 52 -2.318 3.928 2.858 335 HA ALA 52 HA ALA 52 -1.687 6.282 4.445 336 1HB ALA 52 1HB ALA 52 -0.515 4.525 5.655 337 2HB ALA 52 2HB ALA 52 0.637 5.580 4.835 338 3HB ALA 52 3HB ALA 52 0.258 3.993 4.162 339 H TRP 53 H TRP 53 -0.040 7.626 3.408 340 HA TRP 53 HA TRP 53 -0.230 7.395 0.519 341 1HB TRP 53 2HB TRP 53 0.831 9.558 2.337 342 2HB TRP 53 1HB TRP 53 0.853 9.656 0.600 343 HD1 TRP 53 HD1 TRP 53 -1.599 9.395 3.429 344 HE1 TRP 53 HE1 TRP 53 -3.776 10.544 2.717 345 HE3 TRP 53 HE3 TRP 53 -0.399 10.446 -1.391 346 HZ2 TRP 53 HZ2 TRP 53 -4.869 11.731 0.391 347 HZ3 TRP 53 HZ3 TRP 53 -2.055 11.588 -2.809 348 HH2 TRP 53 HH2 TRP 53 -4.245 12.218 -1.934 349 H ASN 54 H ASN 54 2.100 8.734 -0.150 350 HA ASN 54 HA ASN 54 3.997 6.518 0.186 351 1HB ASN 54 2HB ASN 54 4.667 6.808 -1.990 352 2HB ASN 54 1HB ASN 54 3.033 7.448 -2.125 353 1HD2 ASN 54 1HD2 ASN 54 6.384 8.124 -2.268 354 2HD2 ASN 54 2HD2 ASN 54 6.268 9.790 -2.726 355 H PHE 55 H PHE 55 3.554 9.835 0.918 356 HA PHE 55 HA PHE 55 6.418 10.389 0.952 357 1HB PHE 55 2HB PHE 55 5.750 12.746 1.281 358 2HB PHE 55 1HB PHE 55 5.043 12.037 -0.164 359 HD1 PHE 55 HD1 PHE 55 4.380 13.330 3.193 360 HD2 PHE 55 HD2 PHE 55 2.658 11.678 -0.333 361 HE1 PHE 55 HE1 PHE 55 2.154 14.052 3.945 362 HE2 PHE 55 HE2 PHE 55 0.427 12.397 0.420 363 HZ PHE 55 HZ PHE 55 0.172 13.585 2.558 364 H GLU 56 H GLU 56 4.339 9.090 3.083 365 HA GLU 56 HA GLU 56 4.919 10.639 5.419 366 1HB GLU 56 2HB GLU 56 3.756 7.864 5.110 367 2HB GLU 56 1HB GLU 56 3.852 8.740 6.632 368 1HG GLU 56 2HG GLU 56 2.422 10.490 5.735 369 2HG GLU 56 1HG GLU 56 2.343 9.649 4.188 370 HA PRO 57 HA PRO 57 8.975 9.612 6.499 371 1HB PRO 57 2HB PRO 57 7.853 8.936 9.187 372 2HB PRO 57 1HB PRO 57 9.233 9.961 8.768 373 1HG PRO 57 2HG PRO 57 6.902 11.050 9.429 374 2HG PRO 57 1HG PRO 57 7.881 11.734 8.119 375 1HD PRO 57 2HD PRO 57 5.382 10.129 7.978 376 2HD PRO 57 1HD PRO 57 5.964 11.408 6.897 377 H ASP 58 H ASP 58 6.600 7.274 7.730 378 HA ASP 58 HA ASP 58 8.405 5.149 6.837 379 1HB ASP 58 2HB ASP 58 7.102 5.353 9.550 380 2HB ASP 58 1HB ASP 58 7.610 3.807 8.877 381 H ALA 59 H ALA 59 6.463 6.002 5.256 382 HA ALA 59 HA ALA 59 3.847 5.159 5.714 383 1HB ALA 59 1HB ALA 59 4.543 6.722 3.943 384 2HB ALA 59 2HB ALA 59 3.512 5.424 3.340 385 3HB ALA 59 3HB ALA 59 5.252 5.368 3.060 386 H GLY 60 H GLY 60 6.492 3.498 4.028 387 1HA GLY 60 2HA GLY 60 4.934 1.206 3.375 388 2HA GLY 60 1HA GLY 60 6.686 1.338 3.282 389 H GLU 61 H GLU 61 6.707 2.157 6.189 390 HA GLU 61 HA GLU 61 7.173 -0.487 7.162 391 1HB GLU 61 2HB GLU 61 8.206 1.951 7.751 392 2HB GLU 61 1HB GLU 61 7.087 1.749 9.093 393 1HG GLU 61 2HG GLU 61 8.756 -0.593 8.526 394 2HG GLU 61 1HG GLU 61 9.642 0.841 9.039 395 H GLY 62 H GLY 62 4.646 1.932 7.521 396 1HA GLY 62 2HA GLY 62 3.199 0.545 9.568 397 2HA GLY 62 1HA GLY 62 2.565 1.819 8.531 398 H LEU 63 H LEU 63 2.991 0.682 6.043 399 HA LEU 63 HA LEU 63 0.806 -1.018 5.673 400 1HB LEU 63 2HB LEU 63 3.267 -0.853 3.932 401 2HB LEU 63 1HB LEU 63 1.673 -1.399 3.445 402 HG LEU 63 HG LEU 63 2.341 1.421 4.296 403 1HD1 LEU 63 1HD1 LEU 63 1.918 0.237 1.560 404 2HD1 LEU 63 2HD1 LEU 63 3.425 0.884 2.207 405 3HD1 LEU 63 3HD1 LEU 63 2.058 1.958 1.915 406 1HD2 LEU 63 1HD2 LEU 63 -0.160 0.213 3.118 407 2HD2 LEU 63 2HD2 LEU 63 0.122 1.938 3.357 408 3HD2 LEU 63 3HD2 LEU 63 0.029 0.858 4.749 409 H ASN 64 H ASN 64 4.260 -1.719 6.019 410 HA ASN 64 HA ASN 64 3.927 -4.537 5.768 411 1HB ASN 64 2HB ASN 64 6.219 -2.776 6.542 412 2HB ASN 64 1HB ASN 64 6.320 -4.517 6.800 413 1HD2 ASN 64 1HD2 ASN 64 6.203 -1.967 4.456 414 2HD2 ASN 64 2HD2 ASN 64 6.605 -2.944 3.086 415 H ARG 65 H ARG 65 3.590 -2.336 8.396 416 HA ARG 65 HA ARG 65 3.881 -4.121 10.543 417 1HB ARG 65 2HB ARG 65 2.395 -1.587 10.097 418 2HB ARG 65 1HB ARG 65 1.871 -2.587 11.443 419 1HG ARG 65 2HG ARG 65 4.704 -1.665 11.034 420 2HG ARG 65 1HG ARG 65 3.520 -0.833 12.045 421 1HD ARG 65 2HD ARG 65 3.243 -2.950 13.337 422 2HD ARG 65 1HD ARG 65 4.571 -3.636 12.400 423 HE ARG 65 HE ARG 65 5.824 -1.559 13.337 424 1HH1 ARG 65 1HH1 ARG 65 3.448 -3.501 15.034 425 2HH1 ARG 65 2HH1 ARG 65 4.113 -3.161 16.605 426 1HH2 ARG 65 1HH2 ARG 65 6.696 -1.129 15.389 427 2HH2 ARG 65 2HH2 ARG 65 5.958 -1.816 16.804 428 H TYR 66 H TYR 66 1.032 -3.309 8.554 429 HA TYR 66 HA TYR 66 -0.617 -5.303 9.745 430 1HB TYR 66 2HB TYR 66 -1.681 -3.500 8.550 431 2HB TYR 66 1HB TYR 66 -0.822 -3.908 7.067 432 HD1 TYR 66 HD1 TYR 66 -3.407 -5.136 9.440 433 HD2 TYR 66 HD2 TYR 66 -1.685 -5.493 5.566 434 HE1 TYR 66 HE1 TYR 66 -5.245 -6.629 8.765 435 HE2 TYR 66 HE2 TYR 66 -3.511 -6.987 4.881 436 HH TYR 66 HH TYR 66 -6.341 -7.445 6.755 437 H ILE 67 H ILE 67 1.341 -5.245 6.802 438 HA ILE 67 HA ILE 67 0.637 -7.748 5.769 439 HB ILE 67 HB ILE 67 3.148 -6.110 5.493 440 1HG1 ILE 67 2HG1 ILE 67 0.895 -6.579 3.536 441 2HG1 ILE 67 1HG1 ILE 67 0.955 -5.207 4.639 442 1HG2 ILE 67 1HG2 ILE 67 2.351 -8.550 3.924 443 2HG2 ILE 67 2HG2 ILE 67 3.704 -8.426 5.049 444 3HG2 ILE 67 3HG2 ILE 67 3.710 -7.488 3.556 445 1HD1 ILE 67 1HD1 ILE 67 1.716 -4.595 2.418 446 2HD1 ILE 67 2HD1 ILE 67 2.967 -5.838 2.489 447 3HD1 ILE 67 3HD1 ILE 67 3.028 -4.460 3.590 448 H ARG 68 H ARG 68 3.219 -6.907 8.068 449 HA ARG 68 HA ARG 68 4.557 -9.331 8.103 450 1HB ARG 68 2HB ARG 68 5.366 -7.359 9.304 451 2HB ARG 68 1HB ARG 68 4.032 -7.491 10.444 452 1HG ARG 68 2HG ARG 68 4.871 -9.622 11.226 453 2HG ARG 68 1HG ARG 68 6.181 -9.559 10.050 454 1HD ARG 68 2HD ARG 68 6.996 -7.484 11.135 455 2HD ARG 68 1HD ARG 68 5.735 -7.667 12.355 456 HE ARG 68 HE ARG 68 6.936 -10.002 12.596 457 1HH1 ARG 68 1HH1 ARG 68 8.355 -6.820 12.237 458 2HH1 ARG 68 2HH1 ARG 68 9.810 -7.224 13.105 459 1HH2 ARG 68 1HH2 ARG 68 8.850 -10.546 13.733 460 2HH2 ARG 68 2HH2 ARG 68 10.089 -9.344 13.952 461 H THR 69 H THR 69 1.633 -8.408 9.886 462 HA THR 69 HA THR 69 1.525 -11.103 11.027 463 HB THR 69 HB THR 69 1.281 -9.237 12.590 464 HG1 THR 69 HG1 THR 69 -0.245 -11.345 12.445 465 1HG2 THR 69 1HG2 THR 69 -0.733 -7.824 12.559 466 2HG2 THR 69 2HG2 THR 69 -1.215 -8.559 11.029 467 3HG2 THR 69 3HG2 THR 69 0.255 -7.586 11.115 468 H SER 70 H SER 70 0.310 -9.415 8.399 469 HA SER 70 HA SER 70 -1.610 -11.476 7.821 470 1HB SER 70 2HB SER 70 -2.927 -10.004 9.300 471 2HB SER 70 1HB SER 70 -2.598 -8.644 8.230 472 HG SER 70 HG SER 70 -4.023 -9.373 6.829 473 H GLY 71 H GLY 71 0.388 -11.281 6.275 474 1HA GLY 71 2HA GLY 71 -0.174 -9.527 4.027 475 2HA GLY 71 1HA GLY 71 1.123 -10.712 4.135 476 H ILE 72 H ILE 72 -1.374 -10.057 2.289 477 HA ILE 72 HA ILE 72 -2.837 -12.556 2.471 478 HB ILE 72 HB ILE 72 -3.185 -10.024 0.877 479 1HG1 ILE 72 2HG1 ILE 72 -5.462 -10.144 1.964 480 2HG1 ILE 72 1HG1 ILE 72 -4.878 -11.526 2.877 481 1HG2 ILE 72 1HG2 ILE 72 -3.711 -11.730 -0.738 482 2HG2 ILE 72 2HG2 ILE 72 -5.202 -10.972 -0.176 483 3HG2 ILE 72 3HG2 ILE 72 -4.740 -12.565 0.426 484 1HD1 ILE 72 1HD1 ILE 72 -4.775 -9.528 4.213 485 2HD1 ILE 72 2HD1 ILE 72 -3.794 -8.722 2.989 486 3HD1 ILE 72 3HD1 ILE 72 -3.143 -10.103 3.873 487 H ARG 73 H ARG 73 0.050 -11.814 1.184 488 HA ARG 73 HA ARG 73 -0.067 -12.699 -1.492 489 1HB ARG 73 2HB ARG 73 2.260 -12.630 -1.514 490 2HB ARG 73 1HB ARG 73 1.807 -11.434 -0.307 491 1HG ARG 73 2HG ARG 73 2.341 -12.911 1.476 492 2HG ARG 73 1HG ARG 73 2.559 -14.259 0.364 493 1HD ARG 73 2HD ARG 73 4.267 -11.773 0.458 494 2HD ARG 73 1HD ARG 73 4.718 -13.361 1.088 495 HE ARG 73 HE ARG 73 4.002 -13.155 -1.748 496 1HH1 ARG 73 1HH1 ARG 73 6.483 -13.564 0.682 497 2HH1 ARG 73 2HH1 ARG 73 7.677 -14.137 -0.443 498 1HH2 ARG 73 1HH2 ARG 73 5.528 -13.913 -3.222 499 2HH2 ARG 73 2HH2 ARG 73 7.127 -14.351 -2.687 500 H THR 74 H THR 74 -0.380 -14.505 1.356 501 HA THR 74 HA THR 74 0.725 -16.971 0.631 502 HB THR 74 HB THR 74 -1.925 -16.732 2.052 503 HG1 THR 74 HG1 THR 74 -0.975 -15.763 3.702 504 1HG2 THR 74 1HG2 THR 74 -1.045 -18.985 1.635 505 2HG2 THR 74 2HG2 THR 74 -1.025 -18.608 3.359 506 3HG2 THR 74 3HG2 THR 74 0.470 -18.540 2.425 507 H ASP 75 H ASP 75 -1.656 -15.115 -0.786 508 HA ASP 75 HA ASP 75 -1.986 -17.090 -2.860 509 1HB ASP 75 2HB ASP 75 -3.923 -17.652 -1.535 510 2HB ASP 75 1HB ASP 75 -4.405 -15.963 -1.462 Start of MODEL 13 1 H GLY 10 H GLY 10 11.057 2.195 5.736 2 1HA GLY 10 2HA GLY 10 9.809 4.023 6.436 3 2HA GLY 10 1HA GLY 10 10.914 5.073 5.565 4 HA PRO 11 HA PRO 11 7.497 5.501 2.728 5 1HB PRO 11 2HB PRO 11 9.250 6.975 0.950 6 2HB PRO 11 1HB PRO 11 7.923 7.580 1.943 7 1HG PRO 11 2HG PRO 11 10.552 8.158 2.411 8 2HG PRO 11 1HG PRO 11 9.305 8.146 3.671 9 1HD PRO 11 2HD PRO 11 11.353 6.070 3.003 10 2HD PRO 11 1HD PRO 11 10.762 6.606 4.591 11 H PHE 12 H PHE 12 7.210 5.293 0.276 12 HA PHE 12 HA PHE 12 8.996 3.215 -0.784 13 1HB PHE 12 2HB PHE 12 7.026 2.082 -1.753 14 2HB PHE 12 1HB PHE 12 6.984 2.111 0.005 15 HD1 PHE 12 HD1 PHE 12 5.459 3.459 -3.059 16 HD2 PHE 12 HD2 PHE 12 5.296 3.354 1.194 17 HE1 PHE 12 HE1 PHE 12 3.212 4.463 -3.117 18 HE2 PHE 12 HE2 PHE 12 3.049 4.354 1.131 19 HZ PHE 12 HZ PHE 12 2.010 4.913 -1.024 20 H THR 13 H THR 13 8.872 2.998 -3.140 21 HA THR 13 HA THR 13 8.428 5.608 -4.397 22 HB THR 13 HB THR 13 9.908 4.877 -6.162 23 HG1 THR 13 HG1 THR 13 10.837 2.743 -6.050 24 1HG2 THR 13 1HG2 THR 13 10.974 5.724 -4.126 25 2HG2 THR 13 2HG2 THR 13 11.973 4.502 -4.912 26 3HG2 THR 13 3HG2 THR 13 11.033 4.084 -3.480 27 H ARG 14 H ARG 14 7.697 5.451 -6.724 28 HA ARG 14 HA ARG 14 5.214 4.195 -6.963 29 1HB ARG 14 2HB ARG 14 6.367 6.126 -8.314 30 2HB ARG 14 1HB ARG 14 6.907 4.823 -9.356 31 1HG ARG 14 2HG ARG 14 4.677 4.232 -9.918 32 2HG ARG 14 1HG ARG 14 4.020 5.303 -8.677 33 1HD ARG 14 2HD ARG 14 5.074 7.217 -9.882 34 2HD ARG 14 1HD ARG 14 5.504 6.101 -11.172 35 HE ARG 14 HE ARG 14 3.308 6.072 -11.874 36 1HH1 ARG 14 1HH1 ARG 14 3.553 7.725 -8.790 37 2HH1 ARG 14 2HH1 ARG 14 1.943 8.365 -8.864 38 1HH2 ARG 14 1HH2 ARG 14 1.211 6.970 -11.990 39 2HH2 ARG 14 2HH2 ARG 14 0.596 7.915 -10.666 40 H ARG 15 H ARG 15 8.410 3.257 -8.132 41 HA ARG 15 HA ARG 15 7.630 0.896 -9.474 42 1HB ARG 15 2HB ARG 15 9.788 2.061 -9.823 43 2HB ARG 15 1HB ARG 15 10.300 1.560 -8.218 44 1HG ARG 15 2HG ARG 15 11.281 0.145 -9.926 45 2HG ARG 15 1HG ARG 15 10.183 -0.780 -8.902 46 1HD ARG 15 2HD ARG 15 9.918 -1.363 -11.263 47 2HD ARG 15 1HD ARG 15 8.452 -0.641 -10.603 48 HE ARG 15 HE ARG 15 9.218 1.471 -11.708 49 1HH1 ARG 15 1HH1 ARG 15 10.284 -1.658 -12.889 50 2HH1 ARG 15 2HH1 ARG 15 10.488 -1.103 -14.520 51 1HH2 ARG 15 1HH2 ARG 15 9.468 2.180 -13.868 52 2HH2 ARG 15 2HH2 ARG 15 10.006 1.064 -15.086 53 H GLN 16 H GLN 16 8.857 1.444 -6.172 54 HA GLN 16 HA GLN 16 8.885 -1.261 -5.395 55 1HB GLN 16 2HB GLN 16 9.058 1.332 -4.026 56 2HB GLN 16 1HB GLN 16 8.371 0.043 -3.049 57 1HG GLN 16 2HG GLN 16 10.764 0.214 -2.715 58 2HG GLN 16 1HG GLN 16 10.332 -1.331 -3.444 59 1HE2 GLN 16 1HE2 GLN 16 11.932 1.701 -3.894 60 2HE2 GLN 16 2HE2 GLN 16 12.704 1.312 -5.392 61 H ALA 17 H ALA 17 6.397 1.237 -4.990 62 HA ALA 17 HA ALA 17 4.509 -0.208 -3.576 63 1HB ALA 17 1HB ALA 17 2.836 1.292 -4.527 64 2HB ALA 17 2HB ALA 17 3.980 1.790 -5.772 65 3HB ALA 17 3HB ALA 17 4.297 2.172 -4.079 66 H GLN 18 H GLN 18 4.785 0.022 -7.115 67 HA GLN 18 HA GLN 18 2.609 -1.559 -7.799 68 1HB GLN 18 2HB GLN 18 5.226 -1.165 -9.244 69 2HB GLN 18 1HB GLN 18 3.792 -1.868 -9.953 70 1HG GLN 18 2HG GLN 18 3.860 0.900 -8.804 71 2HG GLN 18 1HG GLN 18 4.242 0.547 -10.484 72 1HE2 GLN 18 1HE2 GLN 18 1.732 -1.122 -8.671 73 2HE2 GLN 18 2HE2 GLN 18 0.404 -0.456 -9.553 74 H ALA 19 H ALA 19 5.964 -2.481 -7.209 75 HA ALA 19 HA ALA 19 5.749 -5.176 -7.976 76 1HB ALA 19 1HB ALA 19 7.891 -4.043 -7.699 77 2HB ALA 19 2HB ALA 19 7.816 -5.507 -6.717 78 3HB ALA 19 3HB ALA 19 7.612 -3.927 -5.964 79 H VAL 20 H VAL 20 4.680 -3.540 -5.091 80 HA VAL 20 HA VAL 20 4.748 -6.037 -3.575 81 HB VAL 20 HB VAL 20 3.846 -3.333 -2.568 82 1HG1 VAL 20 1HG1 VAL 20 3.147 -5.257 -1.223 83 2HG1 VAL 20 2HG1 VAL 20 4.341 -4.281 -0.368 84 3HG1 VAL 20 3HG1 VAL 20 4.823 -5.800 -1.122 85 1HG2 VAL 20 1HG2 VAL 20 6.090 -3.087 -1.616 86 2HG2 VAL 20 2HG2 VAL 20 6.142 -3.151 -3.376 87 3HG2 VAL 20 3HG2 VAL 20 6.597 -4.566 -2.426 88 H THR 21 H THR 21 2.733 -4.084 -5.461 89 HA THR 21 HA THR 21 0.263 -5.087 -4.391 90 HB THR 21 HB THR 21 0.293 -4.093 -7.171 91 HG1 THR 21 HG1 THR 21 1.398 -2.673 -5.015 92 1HG2 THR 21 1HG2 THR 21 -1.718 -4.577 -5.818 93 2HG2 THR 21 2HG2 THR 21 -1.632 -2.892 -6.354 94 3HG2 THR 21 3HG2 THR 21 -1.208 -3.315 -4.694 95 H THR 22 H THR 22 2.541 -5.968 -6.906 96 HA THR 22 HA THR 22 0.889 -8.116 -7.872 97 HB THR 22 HB THR 22 3.239 -8.835 -8.854 98 HG1 THR 22 HG1 THR 22 3.684 -6.051 -8.629 99 1HG2 THR 22 1HG2 THR 22 1.716 -6.405 -9.803 100 2HG2 THR 22 2HG2 THR 22 1.343 -8.085 -10.191 101 3HG2 THR 22 3HG2 THR 22 2.840 -7.358 -10.773 102 H THR 23 H THR 23 3.040 -7.585 -5.261 103 HA THR 23 HA THR 23 3.331 -10.406 -4.677 104 HB THR 23 HB THR 23 3.880 -8.129 -2.769 105 HG1 THR 23 HG1 THR 23 4.991 -7.877 -4.849 106 1HG2 THR 23 1HG2 THR 23 5.080 -10.890 -3.049 107 2HG2 THR 23 2HG2 THR 23 3.892 -10.408 -1.838 108 3HG2 THR 23 3HG2 THR 23 5.503 -9.693 -1.827 109 H TYR 24 H TYR 24 1.634 -7.651 -3.017 110 HA TYR 24 HA TYR 24 -0.349 -9.631 -2.108 111 1HB TYR 24 2HB TYR 24 0.334 -6.972 -0.824 112 2HB TYR 24 1HB TYR 24 -0.783 -8.162 -0.207 113 HD1 TYR 24 HD1 TYR 24 2.801 -7.537 -0.938 114 HD2 TYR 24 HD2 TYR 24 -0.021 -9.896 1.204 115 HE1 TYR 24 HE1 TYR 24 4.637 -8.553 0.339 116 HE2 TYR 24 HE2 TYR 24 1.810 -10.924 2.482 117 HH TYR 24 HH TYR 24 5.078 -9.744 2.304 118 H SER 25 H SER 25 -2.019 -9.459 -3.534 119 HA SER 25 HA SER 25 -2.476 -7.031 -4.971 120 1HB SER 25 2HB SER 25 -4.462 -9.241 -4.930 121 2HB SER 25 1HB SER 25 -3.908 -8.264 -6.277 122 HG SER 25 HG SER 25 -2.992 -10.662 -5.428 123 H ASN 26 H ASN 26 -3.299 -7.933 -1.886 124 HA ASN 26 HA ASN 26 -5.900 -6.722 -1.741 125 1HB ASN 26 2HB ASN 26 -5.702 -6.914 0.657 126 2HB ASN 26 1HB ASN 26 -5.096 -8.401 -0.064 127 1HD2 ASN 26 1HD2 ASN 26 -4.582 -6.926 2.514 128 2HD2 ASN 26 2HD2 ASN 26 -2.856 -6.849 2.611 129 H ILE 27 H ILE 27 -2.687 -5.658 -1.868 130 HA ILE 27 HA ILE 27 -3.080 -3.053 -0.723 131 HB ILE 27 HB ILE 27 -0.970 -3.773 -2.752 132 1HG1 ILE 27 2HG1 ILE 27 -1.025 -4.518 0.162 133 2HG1 ILE 27 1HG1 ILE 27 -0.815 -5.567 -1.211 134 1HG2 ILE 27 1HG2 ILE 27 -1.130 -1.428 -2.098 135 2HG2 ILE 27 2HG2 ILE 27 0.372 -2.141 -1.512 136 3HG2 ILE 27 3HG2 ILE 27 -0.971 -1.882 -0.400 137 1HD1 ILE 27 1HD1 ILE 27 1.355 -4.582 -1.644 138 2HD1 ILE 27 2HD1 ILE 27 1.257 -5.226 -0.005 139 3HD1 ILE 27 3HD1 ILE 27 1.138 -3.488 -0.279 140 H THR 28 H THR 28 -3.371 -1.088 -1.941 141 HA THR 28 HA THR 28 -3.957 -1.394 -4.784 142 HB THR 28 HB THR 28 -6.073 0.045 -4.422 143 HG1 THR 28 HG1 THR 28 -5.508 -0.853 -1.814 144 1HG2 THR 28 1HG2 THR 28 -6.143 -2.247 -5.252 145 2HG2 THR 28 2HG2 THR 28 -7.484 -1.938 -4.151 146 3HG2 THR 28 3HG2 THR 28 -6.083 -2.861 -3.600 147 H LEU 29 H LEU 29 -3.274 0.296 -5.948 148 HA LEU 29 HA LEU 29 -2.212 2.592 -4.522 149 1HB LEU 29 2HB LEU 29 -1.165 1.333 -6.563 150 2HB LEU 29 1HB LEU 29 -2.259 2.321 -7.511 151 HG LEU 29 HG LEU 29 -0.187 3.440 -5.616 152 1HD1 LEU 29 1HD1 LEU 29 0.889 2.235 -7.437 153 2HD1 LEU 29 2HD1 LEU 29 1.106 3.975 -7.620 154 3HD1 LEU 29 3HD1 LEU 29 -0.079 3.124 -8.612 155 1HD2 LEU 29 1HD2 LEU 29 -2.078 4.937 -6.033 156 2HD2 LEU 29 2HD2 LEU 29 -1.835 4.762 -7.772 157 3HD2 LEU 29 3HD2 LEU 29 -0.600 5.542 -6.783 158 H GLU 30 H GLU 30 -3.666 4.035 -3.913 159 HA GLU 30 HA GLU 30 -5.777 4.798 -5.822 160 1HB GLU 30 2HB GLU 30 -5.862 4.560 -2.818 161 2HB GLU 30 1HB GLU 30 -7.052 5.490 -3.715 162 1HG GLU 30 2HG GLU 30 -6.503 2.568 -4.182 163 2HG GLU 30 1HG GLU 30 -7.763 3.183 -3.114 164 H ASP 31 H ASP 31 -6.540 7.014 -5.578 165 HA ASP 31 HA ASP 31 -6.294 9.250 -5.407 166 1HB ASP 31 2HB ASP 31 -4.481 8.491 -3.120 167 2HB ASP 31 1HB ASP 31 -4.944 10.150 -3.495 168 H ASP 32 H ASP 32 -4.654 7.707 -7.173 169 HA ASP 32 HA ASP 32 -1.992 8.641 -7.251 170 1HB ASP 32 2HB ASP 32 -2.995 6.624 -8.457 171 2HB ASP 32 1HB ASP 32 -3.595 7.769 -9.651 172 H GLN 33 H GLN 33 -1.554 10.706 -7.330 173 HA GLN 33 HA GLN 33 -2.762 12.345 -9.455 174 1HB GLN 33 2HB GLN 33 -3.610 12.875 -7.128 175 2HB GLN 33 1HB GLN 33 -1.963 13.314 -6.700 176 1HG GLN 33 2HG GLN 33 -1.994 15.097 -8.355 177 2HG GLN 33 1HG GLN 33 -3.630 14.641 -8.826 178 1HE2 GLN 33 1HE2 GLN 33 -2.612 14.523 -5.505 179 2HE2 GLN 33 2HE2 GLN 33 -3.520 15.890 -4.958 180 H GLY 34 H GLY 34 -0.407 10.746 -9.536 181 1HA GLY 34 2HA GLY 34 1.673 11.074 -10.539 182 2HA GLY 34 1HA GLY 34 1.541 12.796 -10.202 183 H SER 35 H SER 35 2.369 13.620 -8.313 184 HA SER 35 HA SER 35 4.276 11.968 -6.925 185 1HB SER 35 2HB SER 35 4.687 14.124 -5.644 186 2HB SER 35 1HB SER 35 4.951 14.209 -7.386 187 HG SER 35 HG SER 35 3.729 15.954 -6.972 188 H HIS 36 H HIS 36 1.108 13.271 -6.355 189 HA HIS 36 HA HIS 36 1.089 12.363 -3.578 190 1HB HIS 36 2HB HIS 36 -0.832 13.942 -5.275 191 2HB HIS 36 1HB HIS 36 -1.362 13.211 -3.768 192 HD1 HIS 36 HD1 HIS 36 -1.625 15.119 -2.226 193 HD2 HIS 36 HD2 HIS 36 1.947 15.316 -4.355 194 HE1 HIS 36 HE1 HIS 36 -0.377 17.093 -1.282 195 HE2 HIS 36 HE2 HIS 36 1.702 17.294 -2.696 196 H PHE 37 H PHE 37 0.507 10.337 -3.130 197 HA PHE 37 HA PHE 37 -1.863 9.184 -4.142 198 1HB PHE 37 2HB PHE 37 -0.906 7.224 -5.290 199 2HB PHE 37 1HB PHE 37 -0.508 8.717 -6.128 200 HD1 PHE 37 HD1 PHE 37 1.810 9.657 -5.898 201 HD2 PHE 37 HD2 PHE 37 0.767 5.770 -4.515 202 HE1 PHE 37 HE1 PHE 37 4.187 9.024 -5.886 203 HE2 PHE 37 HE2 PHE 37 3.143 5.137 -4.488 204 HZ PHE 37 HZ PHE 37 4.857 6.765 -5.175 205 H ARG 38 H ARG 38 -2.333 7.106 -3.097 206 HA ARG 38 HA ARG 38 -0.446 6.406 -0.963 207 1HB ARG 38 2HB ARG 38 -2.270 6.316 0.705 208 2HB ARG 38 1HB ARG 38 -1.955 7.943 0.121 209 1HG ARG 38 2HG ARG 38 -3.911 7.814 -1.322 210 2HG ARG 38 1HG ARG 38 -4.220 6.166 -0.768 211 1HD ARG 38 2HD ARG 38 -4.536 6.964 1.504 212 2HD ARG 38 1HD ARG 38 -4.153 8.608 1.003 213 HE ARG 38 HE ARG 38 -6.293 7.714 -0.561 214 1HH1 ARG 38 1HH1 ARG 38 -5.602 8.556 2.779 215 2HH1 ARG 38 2HH1 ARG 38 -7.245 8.988 3.147 216 1HH2 ARG 38 1HH2 ARG 38 -8.458 8.280 -0.077 217 2HH2 ARG 38 2HH2 ARG 38 -8.871 8.815 1.525 218 H LEU 39 H LEU 39 -0.616 4.329 -0.150 219 HA LEU 39 HA LEU 39 -2.068 2.481 -1.897 220 1HB LEU 39 2HB LEU 39 0.109 1.959 0.122 221 2HB LEU 39 1HB LEU 39 -0.666 0.737 -0.849 222 HG LEU 39 HG LEU 39 0.934 3.018 -1.978 223 1HD1 LEU 39 1HD1 LEU 39 2.359 1.531 -0.688 224 2HD1 LEU 39 2HD1 LEU 39 2.651 1.315 -2.413 225 3HD1 LEU 39 3HD1 LEU 39 1.689 0.132 -1.527 226 1HD2 LEU 39 1HD2 LEU 39 0.850 1.733 -4.046 227 2HD2 LEU 39 2HD2 LEU 39 -0.775 2.136 -3.493 228 3HD2 LEU 39 3HD2 LEU 39 -0.143 0.507 -3.255 229 H VAL 40 H VAL 40 -3.846 1.598 -1.245 230 HA VAL 40 HA VAL 40 -4.543 1.669 1.607 231 HB VAL 40 HB VAL 40 -6.344 1.130 -0.764 232 1HG1 VAL 40 1HG1 VAL 40 -7.011 1.697 2.122 233 2HG1 VAL 40 2HG1 VAL 40 -7.136 0.130 1.324 234 3HG1 VAL 40 3HG1 VAL 40 -8.172 1.465 0.815 235 1HG2 VAL 40 1HG2 VAL 40 -5.986 3.651 0.851 236 2HG2 VAL 40 2HG2 VAL 40 -7.192 3.399 -0.412 237 3HG2 VAL 40 3HG2 VAL 40 -5.476 3.406 -0.819 238 H VAL 41 H VAL 41 -4.369 -0.138 2.734 239 HA VAL 41 HA VAL 41 -4.095 -2.668 1.283 240 HB VAL 41 HB VAL 41 -3.527 -2.204 4.207 241 1HG1 VAL 41 1HG1 VAL 41 -2.173 -4.229 3.975 242 2HG1 VAL 41 2HG1 VAL 41 -2.645 -4.347 2.280 243 3HG1 VAL 41 3HG1 VAL 41 -3.859 -4.524 3.548 244 1HG2 VAL 41 1HG2 VAL 41 -1.165 -2.005 3.607 245 2HG2 VAL 41 2HG2 VAL 41 -2.119 -0.706 2.887 246 3HG2 VAL 41 3HG2 VAL 41 -1.591 -2.067 1.897 247 H ARG 42 H ARG 42 -5.859 -3.835 1.087 248 HA ARG 42 HA ARG 42 -7.971 -3.584 3.099 249 1HB ARG 42 2HB ARG 42 -8.044 -4.820 0.341 250 2HB ARG 42 1HB ARG 42 -9.421 -4.647 1.420 251 1HG ARG 42 2HG ARG 42 -9.115 -2.188 1.339 252 2HG ARG 42 1HG ARG 42 -7.834 -2.426 0.150 253 1HD ARG 42 2HD ARG 42 -10.688 -3.337 -0.180 254 2HD ARG 42 1HD ARG 42 -10.022 -1.852 -0.857 255 HE ARG 42 HE ARG 42 -8.607 -4.259 -1.601 256 1HH1 ARG 42 1HH1 ARG 42 -11.264 -2.132 -2.396 257 2HH1 ARG 42 2HH1 ARG 42 -11.212 -2.493 -4.090 258 1HH2 ARG 42 1HH2 ARG 42 -8.568 -4.776 -3.822 259 2HH2 ARG 42 2HH2 ARG 42 -9.698 -4.005 -4.906 260 H ASP 43 H ASP 43 -9.184 -5.670 3.546 261 HA ASP 43 HA ASP 43 -7.206 -7.641 4.361 262 1HB ASP 43 2HB ASP 43 -8.768 -8.419 5.912 263 2HB ASP 43 1HB ASP 43 -9.139 -6.704 5.829 264 H THR 44 H THR 44 -8.663 -9.932 4.461 265 HA THR 44 HA THR 44 -8.282 -11.008 1.897 266 HB THR 44 HB THR 44 -9.859 -12.861 3.089 267 HG1 THR 44 HG1 THR 44 -10.325 -11.885 4.980 268 1HG2 THR 44 1HG2 THR 44 -6.958 -12.310 3.744 269 2HG2 THR 44 2HG2 THR 44 -7.551 -13.206 2.345 270 3HG2 THR 44 3HG2 THR 44 -7.788 -13.850 3.969 271 H GLU 45 H GLU 45 -11.064 -9.563 3.412 272 HA GLU 45 HA GLU 45 -12.911 -10.603 1.432 273 1HB GLU 45 2HB GLU 45 -13.622 -10.300 3.761 274 2HB GLU 45 1HB GLU 45 -13.282 -8.581 3.651 275 1HG GLU 45 2HG GLU 45 -15.664 -9.038 3.479 276 2HG GLU 45 1HG GLU 45 -15.035 -8.308 2.002 277 H GLY 46 H GLY 46 -11.036 -7.730 2.059 278 1HA GLY 46 2HA GLY 46 -10.554 -6.260 0.174 279 2HA GLY 46 1HA GLY 46 -12.210 -6.501 -0.360 280 H ARG 47 H ARG 47 -11.718 -6.106 3.017 281 HA ARG 47 HA ARG 47 -13.020 -3.511 2.948 282 1HB ARG 47 2HB ARG 47 -12.113 -5.287 5.217 283 2HB ARG 47 1HB ARG 47 -12.978 -3.777 5.419 284 1HG ARG 47 2HG ARG 47 -14.939 -4.649 4.449 285 2HG ARG 47 1HG ARG 47 -14.084 -6.068 3.838 286 1HD ARG 47 2HD ARG 47 -14.442 -5.410 6.755 287 2HD ARG 47 1HD ARG 47 -15.465 -6.526 5.851 288 HE ARG 47 HE ARG 47 -12.886 -7.406 5.453 289 1HH1 ARG 47 1HH1 ARG 47 -14.883 -6.816 8.283 290 2HH1 ARG 47 2HH1 ARG 47 -14.194 -8.140 9.183 291 1HH2 ARG 47 1HH2 ARG 47 -11.992 -9.129 6.643 292 2HH2 ARG 47 2HH2 ARG 47 -12.562 -9.439 8.265 293 H MET 48 H MET 48 -11.956 -1.624 3.106 294 HA MET 48 HA MET 48 -9.152 -1.446 3.197 295 1HB MET 48 2HB MET 48 -9.621 1.016 3.734 296 2HB MET 48 1HB MET 48 -10.224 0.381 2.216 297 1HG MET 48 2HG MET 48 -12.451 0.105 3.245 298 2HG MET 48 1HG MET 48 -11.821 0.819 4.729 299 1HE MET 48 1HE MET 48 -14.416 1.859 3.116 300 2HE MET 48 2HE MET 48 -14.181 3.600 3.270 301 3HE MET 48 3HE MET 48 -13.855 2.541 4.642 302 H VAL 49 H VAL 49 -7.919 -1.977 4.837 303 HA VAL 49 HA VAL 49 -8.897 -1.552 7.566 304 HB VAL 49 HB VAL 49 -6.441 -3.068 6.670 305 1HG1 VAL 49 1HG1 VAL 49 -6.486 -4.020 8.917 306 2HG1 VAL 49 2HG1 VAL 49 -7.890 -3.029 9.314 307 3HG1 VAL 49 3HG1 VAL 49 -6.338 -2.264 8.975 308 1HG2 VAL 49 1HG2 VAL 49 -9.175 -4.116 7.391 309 2HG2 VAL 49 2HG2 VAL 49 -7.747 -5.103 7.081 310 3HG2 VAL 49 3HG2 VAL 49 -8.445 -4.130 5.786 311 H TRP 50 H TRP 50 -6.337 -0.613 5.327 312 HA TRP 50 HA TRP 50 -5.584 1.571 7.059 313 1HB TRP 50 2HB TRP 50 -4.337 -0.243 8.107 314 2HB TRP 50 1HB TRP 50 -3.626 -0.688 6.560 315 HD1 TRP 50 HD1 TRP 50 -1.213 0.106 6.382 316 HE1 TRP 50 HE1 TRP 50 0.151 2.110 7.245 317 HE3 TRP 50 HE3 TRP 50 -4.899 2.551 8.935 318 HZ2 TRP 50 HZ2 TRP 50 -0.277 4.416 8.817 319 HZ3 TRP 50 HZ3 TRP 50 -4.340 4.638 10.090 320 HH2 TRP 50 HH2 TRP 50 -2.076 5.556 10.037 321 H ARG 51 H ARG 51 -4.041 3.016 6.060 322 HA ARG 51 HA ARG 51 -3.327 2.617 3.297 323 1HB ARG 51 2HB ARG 51 -4.527 4.740 2.595 324 2HB ARG 51 1HB ARG 51 -5.551 3.338 2.872 325 1HG ARG 51 2HG ARG 51 -6.238 4.185 5.007 326 2HG ARG 51 1HG ARG 51 -5.089 5.519 4.894 327 1HD ARG 51 2HD ARG 51 -7.393 6.211 4.386 328 2HD ARG 51 1HD ARG 51 -6.296 6.454 3.028 329 HE ARG 51 HE ARG 51 -7.314 4.587 1.933 330 1HH1 ARG 51 1HH1 ARG 51 -8.919 5.575 4.882 331 2HH1 ARG 51 2HH1 ARG 51 -10.462 4.925 4.411 332 1HH2 ARG 51 1HH2 ARG 51 -9.347 3.728 1.302 333 2HH2 ARG 51 2HH2 ARG 51 -10.693 3.851 2.397 334 H ALA 52 H ALA 52 -1.668 3.977 2.658 335 HA ALA 52 HA ALA 52 -0.932 6.215 4.380 336 1HB ALA 52 1HB ALA 52 0.961 3.930 3.830 337 2HB ALA 52 2HB ALA 52 0.239 4.328 5.389 338 3HB ALA 52 3HB ALA 52 1.381 5.443 4.636 339 H TRP 53 H TRP 53 0.278 7.790 3.325 340 HA TRP 53 HA TRP 53 0.088 7.714 0.456 341 1HB TRP 53 2HB TRP 53 1.180 9.877 2.260 342 2HB TRP 53 1HB TRP 53 0.780 10.047 0.575 343 HD1 TRP 53 HD1 TRP 53 -0.794 9.702 3.937 344 HE1 TRP 53 HE1 TRP 53 -3.200 10.577 3.815 345 HE3 TRP 53 HE3 TRP 53 -1.111 10.411 -1.085 346 HZ2 TRP 53 HZ2 TRP 53 -5.022 11.456 1.830 347 HZ3 TRP 53 HZ3 TRP 53 -3.212 11.272 -2.033 348 HH2 TRP 53 HH2 TRP 53 -5.126 11.783 -0.606 349 H ASN 54 H ASN 54 2.085 9.270 -0.324 350 HA ASN 54 HA ASN 54 4.382 7.472 -0.275 351 1HB ASN 54 2HB ASN 54 3.777 7.962 -2.485 352 2HB ASN 54 1HB ASN 54 3.443 9.648 -2.123 353 1HD2 ASN 54 1HD2 ASN 54 5.920 7.291 -2.786 354 2HD2 ASN 54 2HD2 ASN 54 7.175 8.424 -3.148 355 H PHE 55 H PHE 55 3.470 10.758 0.529 356 HA PHE 55 HA PHE 55 6.181 11.544 1.132 357 1HB PHE 55 2HB PHE 55 5.070 13.682 1.905 358 2HB PHE 55 1HB PHE 55 4.841 13.271 0.211 359 HD1 PHE 55 HD1 PHE 55 3.212 13.352 3.523 360 HD2 PHE 55 HD2 PHE 55 2.681 12.899 -0.676 361 HE1 PHE 55 HE1 PHE 55 0.778 13.577 3.808 362 HE2 PHE 55 HE2 PHE 55 0.249 13.119 -0.398 363 HZ PHE 55 HZ PHE 55 -0.707 13.460 1.846 364 H GLU 56 H GLU 56 4.419 9.472 2.660 365 HA GLU 56 HA GLU 56 4.492 10.501 5.351 366 1HB GLU 56 2HB GLU 56 3.730 7.868 4.128 367 2HB GLU 56 1HB GLU 56 3.890 8.044 5.870 368 1HG GLU 56 2HG GLU 56 2.092 9.764 4.183 369 2HG GLU 56 1HG GLU 56 1.569 8.275 4.969 370 HA PRO 57 HA PRO 57 8.794 9.914 6.047 371 1HB PRO 57 2HB PRO 57 8.437 9.275 8.781 372 2HB PRO 57 1HB PRO 57 8.787 10.861 8.092 373 1HG PRO 57 2HG PRO 57 6.181 9.685 8.909 374 2HG PRO 57 1HG PRO 57 6.723 11.371 8.966 375 1HD PRO 57 2HD PRO 57 4.993 10.563 7.114 376 2HD PRO 57 1HD PRO 57 6.279 11.719 6.704 377 H ASP 58 H ASP 58 6.744 7.586 7.820 378 HA ASP 58 HA ASP 58 8.444 5.458 6.715 379 1HB ASP 58 2HB ASP 58 7.312 5.622 9.514 380 2HB ASP 58 1HB ASP 58 7.994 4.155 8.823 381 H ALA 59 H ALA 59 6.494 6.020 5.186 382 HA ALA 59 HA ALA 59 3.888 5.220 5.706 383 1HB ALA 59 1HB ALA 59 3.585 5.113 3.336 384 2HB ALA 59 2HB ALA 59 5.310 4.866 3.074 385 3HB ALA 59 3HB ALA 59 4.724 6.417 3.669 386 H GLY 60 H GLY 60 6.611 3.320 4.519 387 1HA GLY 60 2HA GLY 60 5.199 0.947 4.002 388 2HA GLY 60 1HA GLY 60 6.932 1.083 4.260 389 H GLU 61 H GLU 61 6.586 2.224 6.954 390 HA GLU 61 HA GLU 61 6.816 -0.185 8.366 391 1HB GLU 61 2HB GLU 61 7.776 2.029 9.051 392 2HB GLU 61 1HB GLU 61 6.162 2.516 9.548 393 1HG GLU 61 2HG GLU 61 7.579 1.745 11.408 394 2HG GLU 61 1HG GLU 61 6.094 0.812 11.223 395 H GLY 62 H GLY 62 4.097 2.059 8.023 396 1HA GLY 62 2HA GLY 62 2.404 0.618 9.840 397 2HA GLY 62 1HA GLY 62 1.898 1.880 8.724 398 H LEU 63 H LEU 63 2.733 0.754 6.319 399 HA LEU 63 HA LEU 63 0.535 -0.946 5.755 400 1HB LEU 63 2HB LEU 63 3.001 -0.387 4.098 401 2HB LEU 63 1HB LEU 63 1.511 -1.093 3.505 402 HG LEU 63 HG LEU 63 1.714 1.685 4.668 403 1HD1 LEU 63 1HD1 LEU 63 3.000 1.568 2.627 404 2HD1 LEU 63 2HD1 LEU 63 1.509 2.474 2.363 405 3HD1 LEU 63 3HD1 LEU 63 1.644 0.811 1.790 406 1HD2 LEU 63 1HD2 LEU 63 -0.485 1.992 3.613 407 2HD2 LEU 63 2HD2 LEU 63 -0.503 0.748 4.860 408 3HD2 LEU 63 3HD2 LEU 63 -0.486 0.288 3.159 409 H ASN 64 H ASN 64 4.032 -1.550 6.002 410 HA ASN 64 HA ASN 64 3.887 -4.332 5.497 411 1HB ASN 64 2HB ASN 64 5.972 -2.771 7.042 412 2HB ASN 64 1HB ASN 64 6.135 -4.454 6.560 413 1HD2 ASN 64 1HD2 ASN 64 7.797 -2.213 5.916 414 2HD2 ASN 64 2HD2 ASN 64 7.838 -2.087 4.196 415 H ARG 65 H ARG 65 3.323 -2.404 8.325 416 HA ARG 65 HA ARG 65 3.590 -4.408 10.283 417 1HB ARG 65 2HB ARG 65 3.341 -1.910 10.659 418 2HB ARG 65 1HB ARG 65 1.620 -2.125 10.377 419 1HG ARG 65 2HG ARG 65 1.480 -3.639 12.279 420 2HG ARG 65 1HG ARG 65 3.215 -3.468 12.550 421 1HD ARG 65 2HD ARG 65 2.122 -2.014 14.074 422 2HD ARG 65 1HD ARG 65 2.835 -1.006 12.816 423 HE ARG 65 HE ARG 65 -0.009 -1.773 12.704 424 1HH1 ARG 65 1HH1 ARG 65 2.495 0.691 12.791 425 2HH1 ARG 65 2HH1 ARG 65 1.382 2.006 12.538 426 1HH2 ARG 65 1HH2 ARG 65 -1.471 -0.036 12.378 427 2HH2 ARG 65 2HH2 ARG 65 -0.866 1.598 12.323 428 H TYR 66 H TYR 66 0.771 -3.308 8.403 429 HA TYR 66 HA TYR 66 -0.978 -5.302 9.446 430 1HB TYR 66 2HB TYR 66 -1.876 -3.290 8.381 431 2HB TYR 66 1HB TYR 66 -1.151 -3.761 6.844 432 HD1 TYR 66 HD1 TYR 66 -3.759 -4.625 9.312 433 HD2 TYR 66 HD2 TYR 66 -2.190 -5.370 5.429 434 HE1 TYR 66 HE1 TYR 66 -5.768 -5.931 8.758 435 HE2 TYR 66 HE2 TYR 66 -4.197 -6.677 4.857 436 HH TYR 66 HH TYR 66 -5.956 -7.956 6.074 437 H ILE 67 H ILE 67 1.027 -5.084 6.546 438 HA ILE 67 HA ILE 67 0.372 -7.479 5.294 439 HB ILE 67 HB ILE 67 3.047 -6.074 5.455 440 1HG1 ILE 67 2HG1 ILE 67 1.000 -6.108 3.231 441 2HG1 ILE 67 1HG1 ILE 67 1.116 -4.830 4.439 442 1HG2 ILE 67 1HG2 ILE 67 3.387 -8.399 4.849 443 2HG2 ILE 67 2HG2 ILE 67 3.664 -7.354 3.456 444 3HG2 ILE 67 3HG2 ILE 67 2.162 -8.270 3.587 445 1HD1 ILE 67 1HD1 ILE 67 2.197 -4.214 2.342 446 2HD1 ILE 67 2HD1 ILE 67 3.277 -5.601 2.491 447 3HD1 ILE 67 3HD1 ILE 67 3.355 -4.291 3.671 448 H ARG 68 H ARG 68 2.522 -6.829 7.975 449 HA ARG 68 HA ARG 68 3.840 -9.278 8.158 450 1HB ARG 68 2HB ARG 68 4.543 -7.272 9.353 451 2HB ARG 68 1HB ARG 68 3.079 -7.316 10.322 452 1HG ARG 68 2HG ARG 68 3.797 -9.430 11.305 453 2HG ARG 68 1HG ARG 68 5.279 -9.364 10.345 454 1HD ARG 68 2HD ARG 68 5.784 -7.165 11.420 455 2HD ARG 68 1HD ARG 68 4.399 -7.425 12.480 456 HE ARG 68 HE ARG 68 5.764 -9.651 12.927 457 1HH1 ARG 68 1HH1 ARG 68 6.846 -6.311 12.775 458 2HH1 ARG 68 2HH1 ARG 68 8.205 -6.575 13.831 459 1HH2 ARG 68 1HH2 ARG 68 7.510 -9.994 14.314 460 2HH2 ARG 68 2HH2 ARG 68 8.590 -8.689 14.706 461 H THR 69 H THR 69 0.806 -8.208 9.672 462 HA THR 69 HA THR 69 0.598 -10.688 11.126 463 HB THR 69 HB THR 69 -1.547 -9.585 11.959 464 HG1 THR 69 HG1 THR 69 -0.713 -7.087 11.359 465 1HG2 THR 69 1HG2 THR 69 1.104 -8.217 12.405 466 2HG2 THR 69 2HG2 THR 69 0.472 -9.597 13.304 467 3HG2 THR 69 3HG2 THR 69 -0.318 -8.024 13.429 468 H SER 70 H SER 70 -0.512 -9.469 8.156 469 HA SER 70 HA SER 70 -2.741 -11.382 8.146 470 1HB SER 70 2HB SER 70 -2.303 -8.997 6.342 471 2HB SER 70 1HB SER 70 -3.723 -10.045 6.357 472 HG SER 70 HG SER 70 -2.819 -8.507 8.571 473 H GLY 71 H GLY 71 -0.104 -10.158 6.135 474 1HA GLY 71 2HA GLY 71 0.820 -10.933 4.168 475 2HA GLY 71 1HA GLY 71 0.798 -12.472 5.011 476 H ILE 72 H ILE 72 -0.969 -10.406 2.737 477 HA ILE 72 HA ILE 72 -2.949 -12.514 2.334 478 HB ILE 72 HB ILE 72 -2.848 -9.760 1.078 479 1HG1 ILE 72 2HG1 ILE 72 -2.964 -9.635 3.535 480 2HG1 ILE 72 1HG1 ILE 72 -4.471 -9.107 2.794 481 1HG2 ILE 72 1HG2 ILE 72 -5.250 -10.127 0.674 482 2HG2 ILE 72 2HG2 ILE 72 -5.106 -11.759 1.327 483 3HG2 ILE 72 3HG2 ILE 72 -4.258 -11.324 -0.159 484 1HD1 ILE 72 1HD1 ILE 72 -3.976 -11.806 4.038 485 2HD1 ILE 72 2HD1 ILE 72 -5.489 -11.258 3.315 486 3HD1 ILE 72 3HD1 ILE 72 -4.873 -10.473 4.769 487 H ARG 73 H ARG 73 0.018 -12.140 1.332 488 HA ARG 73 HA ARG 73 0.025 -12.255 -1.487 489 1HB ARG 73 2HB ARG 73 2.288 -13.096 -1.256 490 2HB ARG 73 1HB ARG 73 2.003 -11.813 -0.093 491 1HG ARG 73 2HG ARG 73 1.474 -13.627 1.586 492 2HG ARG 73 1HG ARG 73 2.126 -14.765 0.412 493 1HD ARG 73 2HD ARG 73 4.274 -13.658 0.469 494 2HD ARG 73 1HD ARG 73 3.639 -12.421 1.558 495 HE ARG 73 HE ARG 73 3.628 -15.254 2.375 496 1HH1 ARG 73 1HH1 ARG 73 4.722 -11.949 2.861 497 2HH1 ARG 73 2HH1 ARG 73 5.385 -12.272 4.433 498 1HH2 ARG 73 1HH2 ARG 73 4.499 -15.659 4.454 499 2HH2 ARG 73 2HH2 ARG 73 5.252 -14.361 5.340 500 H THR 74 H THR 74 -1.315 -14.401 0.622 501 HA THR 74 HA THR 74 -0.587 -16.878 -0.564 502 HB THR 74 HB THR 74 -1.492 -16.772 1.720 503 HG1 THR 74 HG1 THR 74 -2.863 -18.281 -0.244 504 1HG2 THR 74 1HG2 THR 74 -4.076 -15.961 0.383 505 2HG2 THR 74 2HG2 THR 74 -3.092 -14.956 1.448 506 3HG2 THR 74 3HG2 THR 74 -3.900 -16.389 2.086 507 H ASP 75 H ASP 75 -1.981 -14.376 -2.016 508 HA ASP 75 HA ASP 75 -4.022 -15.975 -3.372 509 1HB ASP 75 2HB ASP 75 -5.034 -14.053 -4.175 510 2HB ASP 75 1HB ASP 75 -4.538 -13.605 -2.556 Start of MODEL 14 1 H GLY 10 H GLY 10 11.620 2.828 5.727 2 1HA GLY 10 2HA GLY 10 9.886 4.252 6.224 3 2HA GLY 10 1HA GLY 10 10.969 5.512 5.658 4 HA PRO 11 HA PRO 11 7.798 6.256 2.594 5 1HB PRO 11 2HB PRO 11 9.781 7.972 1.295 6 2HB PRO 11 1HB PRO 11 8.230 8.405 2.012 7 1HG PRO 11 2HG PRO 11 10.582 9.100 3.142 8 2HG PRO 11 1HG PRO 11 9.131 8.745 4.097 9 1HD PRO 11 2HD PRO 11 11.520 7.022 3.563 10 2HD PRO 11 1HD PRO 11 10.588 7.228 5.062 11 H PHE 12 H PHE 12 7.367 5.514 0.593 12 HA PHE 12 HA PHE 12 9.493 3.914 -0.675 13 1HB PHE 12 2HB PHE 12 7.588 2.573 -1.612 14 2HB PHE 12 1HB PHE 12 7.740 2.506 0.138 15 HD1 PHE 12 HD1 PHE 12 5.554 3.177 -2.602 16 HD2 PHE 12 HD2 PHE 12 6.210 4.038 1.514 17 HE1 PHE 12 HE1 PHE 12 3.192 3.853 -2.365 18 HE2 PHE 12 HE2 PHE 12 3.857 4.726 1.745 19 HZ PHE 12 HZ PHE 12 2.352 4.634 -0.196 20 H THR 13 H THR 13 8.555 3.355 -3.077 21 HA THR 13 HA THR 13 7.779 5.880 -4.380 22 HB THR 13 HB THR 13 9.148 5.389 -6.276 23 HG1 THR 13 HG1 THR 13 10.362 3.423 -6.396 24 1HG2 THR 13 1HG2 THR 13 11.412 5.257 -5.336 25 2HG2 THR 13 2HG2 THR 13 10.730 4.740 -3.793 26 3HG2 THR 13 3HG2 THR 13 10.389 6.357 -4.412 27 H ARG 14 H ARG 14 6.863 5.265 -6.702 28 HA ARG 14 HA ARG 14 4.689 3.496 -6.339 29 1HB ARG 14 2HB ARG 14 5.815 4.971 -8.680 30 2HB ARG 14 1HB ARG 14 4.642 3.694 -8.961 31 1HG ARG 14 2HG ARG 14 3.041 4.809 -7.530 32 2HG ARG 14 1HG ARG 14 4.215 6.067 -7.179 33 1HD ARG 14 2HD ARG 14 2.978 5.438 -9.850 34 2HD ARG 14 1HD ARG 14 2.661 6.852 -8.849 35 HE ARG 14 HE ARG 14 5.392 6.796 -9.390 36 1HH1 ARG 14 1HH1 ARG 14 2.361 7.229 -11.080 37 2HH1 ARG 14 2HH1 ARG 14 3.069 8.163 -12.363 38 1HH2 ARG 14 1HH2 ARG 14 6.332 8.023 -11.074 39 2HH2 ARG 14 2HH2 ARG 14 5.328 8.589 -12.380 40 H ARG 15 H ARG 15 7.788 3.196 -8.029 41 HA ARG 15 HA ARG 15 7.444 0.673 -9.148 42 1HB ARG 15 2HB ARG 15 9.455 2.420 -9.161 43 2HB ARG 15 1HB ARG 15 10.076 1.353 -7.915 44 1HG ARG 15 2HG ARG 15 9.365 0.577 -10.735 45 2HG ARG 15 1HG ARG 15 10.985 0.780 -10.083 46 1HD ARG 15 2HD ARG 15 8.964 -1.315 -9.317 47 2HD ARG 15 1HD ARG 15 10.468 -1.562 -10.199 48 HE ARG 15 HE ARG 15 10.243 -0.894 -7.343 49 1HH1 ARG 15 1HH1 ARG 15 12.155 -1.959 -10.068 50 2HH1 ARG 15 2HH1 ARG 15 13.407 -2.648 -9.076 51 1HH2 ARG 15 1HH2 ARG 15 11.905 -1.796 -6.033 52 2HH2 ARG 15 2HH2 ARG 15 13.273 -2.547 -6.804 53 H GLN 16 H GLN 16 8.755 1.543 -5.955 54 HA GLN 16 HA GLN 16 9.156 -1.085 -5.044 55 1HB GLN 16 2HB GLN 16 8.489 1.348 -3.376 56 2HB GLN 16 1HB GLN 16 9.215 -0.137 -2.792 57 1HG GLN 16 2HG GLN 16 10.444 1.905 -4.617 58 2HG GLN 16 1HG GLN 16 10.917 1.510 -2.968 59 1HE2 GLN 16 1HE2 GLN 16 12.561 1.552 -5.296 60 2HE2 GLN 16 2HE2 GLN 16 13.191 -0.052 -5.499 61 H ALA 17 H ALA 17 6.461 1.156 -4.468 62 HA ALA 17 HA ALA 17 4.843 -0.527 -2.948 63 1HB ALA 17 1HB ALA 17 3.961 1.603 -4.886 64 2HB ALA 17 2HB ALA 17 4.436 1.862 -3.208 65 3HB ALA 17 3HB ALA 17 2.990 0.923 -3.582 66 H GLN 18 H GLN 18 4.908 -0.117 -6.471 67 HA GLN 18 HA GLN 18 2.671 -1.665 -7.078 68 1HB GLN 18 2HB GLN 18 5.147 -0.967 -8.635 69 2HB GLN 18 1HB GLN 18 3.837 -1.902 -9.330 70 1HG GLN 18 2HG GLN 18 2.293 -0.031 -8.854 71 2HG GLN 18 1HG GLN 18 3.658 0.906 -8.240 72 1HE2 GLN 18 1HE2 GLN 18 1.851 1.418 -10.486 73 2HE2 GLN 18 2HE2 GLN 18 2.865 1.597 -11.876 74 H ALA 19 H ALA 19 6.048 -2.593 -6.643 75 HA ALA 19 HA ALA 19 5.798 -5.267 -7.503 76 1HB ALA 19 1HB ALA 19 7.728 -4.143 -5.478 77 2HB ALA 19 2HB ALA 19 7.956 -4.132 -7.228 78 3HB ALA 19 3HB ALA 19 7.898 -5.664 -6.356 79 H VAL 20 H VAL 20 4.789 -3.705 -4.588 80 HA VAL 20 HA VAL 20 4.818 -6.171 -3.023 81 HB VAL 20 HB VAL 20 3.520 -3.597 -2.154 82 1HG1 VAL 20 1HG1 VAL 20 4.917 -5.806 -0.646 83 2HG1 VAL 20 2HG1 VAL 20 3.175 -5.535 -0.742 84 3HG1 VAL 20 3HG1 VAL 20 4.206 -4.364 0.081 85 1HG2 VAL 20 1HG2 VAL 20 5.705 -2.918 -2.924 86 2HG2 VAL 20 2HG2 VAL 20 6.467 -4.215 -2.004 87 3HG2 VAL 20 3HG2 VAL 20 5.662 -2.891 -1.160 88 H THR 21 H THR 21 2.947 -4.233 -5.011 89 HA THR 21 HA THR 21 0.370 -5.175 -4.133 90 HB THR 21 HB THR 21 1.059 -3.523 -6.564 91 HG1 THR 21 HG1 THR 21 1.856 -2.579 -4.559 92 1HG2 THR 21 1HG2 THR 21 -1.409 -3.742 -4.882 93 2HG2 THR 21 2HG2 THR 21 -1.182 -4.478 -6.466 94 3HG2 THR 21 3HG2 THR 21 -1.206 -2.720 -6.304 95 H THR 22 H THR 22 2.624 -5.680 -6.820 96 HA THR 22 HA THR 22 0.963 -7.460 -8.264 97 HB THR 22 HB THR 22 3.168 -8.326 -9.206 98 HG1 THR 22 HG1 THR 22 4.586 -7.814 -7.554 99 1HG2 THR 22 1HG2 THR 22 2.678 -5.345 -9.316 100 2HG2 THR 22 2HG2 THR 22 1.844 -6.558 -10.289 101 3HG2 THR 22 3HG2 THR 22 3.574 -6.294 -10.501 102 H THR 23 H THR 23 3.102 -7.800 -5.511 103 HA THR 23 HA THR 23 2.777 -10.657 -5.379 104 HB THR 23 HB THR 23 3.722 -8.788 -3.203 105 HG1 THR 23 HG1 THR 23 5.207 -8.456 -4.748 106 1HG2 THR 23 1HG2 THR 23 3.165 -11.051 -2.437 107 2HG2 THR 23 2HG2 THR 23 4.906 -10.776 -2.384 108 3HG2 THR 23 3HG2 THR 23 4.203 -11.733 -3.689 109 H TYR 24 H TYR 24 1.518 -7.919 -3.385 110 HA TYR 24 HA TYR 24 -0.599 -9.726 -2.446 111 1HB TYR 24 2HB TYR 24 0.290 -7.056 -1.327 112 2HB TYR 24 1HB TYR 24 -0.896 -8.131 -0.611 113 HD1 TYR 24 HD1 TYR 24 -0.181 -10.091 0.636 114 HD2 TYR 24 HD2 TYR 24 2.668 -7.553 -1.239 115 HE1 TYR 24 HE1 TYR 24 1.616 -11.148 1.938 116 HE2 TYR 24 HE2 TYR 24 4.471 -8.609 0.053 117 HH TYR 24 HH TYR 24 4.770 -9.857 2.108 118 H SER 25 H SER 25 -2.139 -9.555 -4.009 119 HA SER 25 HA SER 25 -2.752 -7.213 -5.445 120 1HB SER 25 2HB SER 25 -4.724 -8.563 -6.211 121 2HB SER 25 1HB SER 25 -3.168 -9.359 -6.430 122 HG SER 25 HG SER 25 -4.299 -10.910 -5.466 123 H ASN 26 H ASN 26 -3.436 -7.956 -2.282 124 HA ASN 26 HA ASN 26 -6.029 -6.685 -2.172 125 1HB ASN 26 2HB ASN 26 -5.854 -6.928 0.254 126 2HB ASN 26 1HB ASN 26 -5.479 -8.449 -0.543 127 1HD2 ASN 26 1HD2 ASN 26 -4.749 -7.142 2.084 128 2HD2 ASN 26 2HD2 ASN 26 -3.033 -7.342 2.177 129 H ILE 27 H ILE 27 -2.774 -5.724 -2.256 130 HA ILE 27 HA ILE 27 -3.203 -3.147 -1.016 131 HB ILE 27 HB ILE 27 -0.955 -3.650 -2.927 132 1HG1 ILE 27 2HG1 ILE 27 -1.256 -4.937 -0.231 133 2HG1 ILE 27 1HG1 ILE 27 -0.733 -5.642 -1.740 134 1HG2 ILE 27 1HG2 ILE 27 -1.184 -1.448 -1.950 135 2HG2 ILE 27 2HG2 ILE 27 0.266 -2.233 -1.324 136 3HG2 ILE 27 3HG2 ILE 27 -1.184 -2.140 -0.326 137 1HD1 ILE 27 1HD1 ILE 27 0.841 -3.688 -0.085 138 2HD1 ILE 27 2HD1 ILE 27 1.362 -4.430 -1.598 139 3HD1 ILE 27 3HD1 ILE 27 1.100 -5.432 -0.172 140 H THR 28 H THR 28 -3.449 -1.175 -2.168 141 HA THR 28 HA THR 28 -3.807 -1.378 -5.057 142 HB THR 28 HB THR 28 -5.971 0.033 -4.743 143 HG1 THR 28 HG1 THR 28 -5.594 -1.154 -2.200 144 1HG2 THR 28 1HG2 THR 28 -5.933 -2.936 -4.185 145 2HG2 THR 28 2HG2 THR 28 -5.950 -2.171 -5.774 146 3HG2 THR 28 3HG2 THR 28 -7.342 -2.011 -4.705 147 H LEU 29 H LEU 29 -3.214 0.410 -6.128 148 HA LEU 29 HA LEU 29 -2.315 2.691 -4.543 149 1HB LEU 29 2HB LEU 29 -0.905 1.478 -6.354 150 2HB LEU 29 1HB LEU 29 -1.909 2.336 -7.504 151 HG LEU 29 HG LEU 29 -0.273 3.738 -5.390 152 1HD1 LEU 29 1HD1 LEU 29 1.211 2.468 -6.841 153 2HD1 LEU 29 2HD1 LEU 29 1.346 4.197 -7.160 154 3HD1 LEU 29 3HD1 LEU 29 0.435 3.165 -8.263 155 1HD2 LEU 29 1HD2 LEU 29 -0.565 5.682 -6.837 156 2HD2 LEU 29 2HD2 LEU 29 -2.123 5.040 -6.316 157 3HD2 LEU 29 3HD2 LEU 29 -1.538 4.717 -7.949 158 H GLU 30 H GLU 30 -3.911 4.077 -4.163 159 HA GLU 30 HA GLU 30 -5.727 4.747 -6.384 160 1HB GLU 30 2HB GLU 30 -6.313 4.939 -3.422 161 2HB GLU 30 1HB GLU 30 -7.430 5.302 -4.729 162 1HG GLU 30 2HG GLU 30 -7.270 2.917 -5.436 163 2HG GLU 30 1HG GLU 30 -6.308 2.608 -3.992 164 H ASP 31 H ASP 31 -6.622 6.981 -6.224 165 HA ASP 31 HA ASP 31 -6.382 9.231 -6.188 166 1HB ASP 31 2HB ASP 31 -5.687 8.355 -3.587 167 2HB ASP 31 1HB ASP 31 -4.553 9.630 -4.029 168 H ASP 32 H ASP 32 -4.519 7.629 -7.711 169 HA ASP 32 HA ASP 32 -1.923 8.738 -7.489 170 1HB ASP 32 2HB ASP 32 -1.596 7.684 -9.750 171 2HB ASP 32 1HB ASP 32 -2.093 6.589 -8.476 172 H GLN 33 H GLN 33 -1.792 10.848 -7.628 173 HA GLN 33 HA GLN 33 -2.905 12.221 -9.967 174 1HB GLN 33 2HB GLN 33 -3.354 13.239 -7.791 175 2HB GLN 33 1HB GLN 33 -1.640 13.259 -7.416 176 1HG GLN 33 2HG GLN 33 -2.674 14.740 -9.794 177 2HG GLN 33 1HG GLN 33 -2.819 15.431 -8.180 178 1HE2 GLN 33 1HE2 GLN 33 -1.257 16.262 -10.541 179 2HE2 GLN 33 2HE2 GLN 33 0.383 16.372 -9.990 180 H GLY 34 H GLY 34 0.019 11.145 -8.474 181 1HA GLY 34 2HA GLY 34 1.787 10.966 -10.399 182 2HA GLY 34 1HA GLY 34 1.695 12.721 -10.282 183 H SER 35 H SER 35 2.295 13.729 -8.275 184 HA SER 35 HA SER 35 4.337 12.300 -6.817 185 1HB SER 35 2HB SER 35 4.497 14.447 -5.522 186 2HB SER 35 1HB SER 35 4.707 14.657 -7.261 187 HG SER 35 HG SER 35 3.266 16.193 -6.785 188 H HIS 36 H HIS 36 1.032 13.281 -6.461 189 HA HIS 36 HA HIS 36 0.906 12.245 -3.732 190 1HB HIS 36 2HB HIS 36 -1.009 13.847 -5.422 191 2HB HIS 36 1HB HIS 36 -1.513 13.088 -3.916 192 HD1 HIS 36 HD1 HIS 36 1.038 15.617 -5.154 193 HD2 HIS 36 HD2 HIS 36 -1.006 14.557 -1.692 194 HE1 HIS 36 HE1 HIS 36 1.616 17.380 -3.459 195 HE2 HIS 36 HE2 HIS 36 0.517 16.611 -1.325 196 H PHE 37 H PHE 37 0.235 10.292 -3.325 197 HA PHE 37 HA PHE 37 -1.916 9.036 -4.662 198 1HB PHE 37 2HB PHE 37 -0.701 7.089 -5.580 199 2HB PHE 37 1HB PHE 37 -0.254 8.579 -6.397 200 HD1 PHE 37 HD1 PHE 37 1.964 9.572 -6.041 201 HD2 PHE 37 HD2 PHE 37 0.890 5.829 -4.318 202 HE1 PHE 37 HE1 PHE 37 4.342 9.077 -5.637 203 HE2 PHE 37 HE2 PHE 37 3.262 5.331 -3.908 204 HZ PHE 37 HZ PHE 37 4.991 6.958 -4.569 205 H ARG 38 H ARG 38 -2.616 7.177 -3.528 206 HA ARG 38 HA ARG 38 -1.128 6.665 -1.030 207 1HB ARG 38 2HB ARG 38 -3.303 6.596 0.174 208 2HB ARG 38 1HB ARG 38 -2.928 8.192 -0.468 209 1HG ARG 38 2HG ARG 38 -4.434 7.796 -2.343 210 2HG ARG 38 1HG ARG 38 -4.793 6.189 -1.717 211 1HD ARG 38 2HD ARG 38 -5.765 7.159 0.284 212 2HD ARG 38 1HD ARG 38 -5.334 8.776 -0.271 213 HE ARG 38 HE ARG 38 -7.167 8.774 -1.642 214 1HH1 ARG 38 1HH1 ARG 38 -6.509 5.479 -0.658 215 2HH1 ARG 38 2HH1 ARG 38 -7.968 4.838 -1.351 216 1HH2 ARG 38 1HH2 ARG 38 -9.149 7.942 -2.479 217 2HH2 ARG 38 2HH2 ARG 38 -9.489 6.239 -2.325 218 H LEU 39 H LEU 39 -1.379 4.604 -0.134 219 HA LEU 39 HA LEU 39 -2.449 2.626 -2.029 220 1HB LEU 39 2HB LEU 39 -0.503 2.174 0.224 221 2HB LEU 39 1HB LEU 39 -1.005 0.997 -0.954 222 HG LEU 39 HG LEU 39 0.602 3.457 -1.555 223 1HD1 LEU 39 1HD1 LEU 39 1.380 0.551 -1.439 224 2HD1 LEU 39 2HD1 LEU 39 1.823 1.786 -0.259 225 3HD1 LEU 39 3HD1 LEU 39 2.426 1.888 -1.913 226 1HD2 LEU 39 1HD2 LEU 39 0.872 2.477 -3.763 227 2HD2 LEU 39 2HD2 LEU 39 -0.835 2.761 -3.415 228 3HD2 LEU 39 3HD2 LEU 39 -0.169 1.131 -3.306 229 H VAL 40 H VAL 40 -3.874 1.133 -1.377 230 HA VAL 40 HA VAL 40 -4.773 1.222 1.424 231 HB VAL 40 HB VAL 40 -6.495 0.575 -0.980 232 1HG1 VAL 40 1HG1 VAL 40 -7.222 1.052 1.908 233 2HG1 VAL 40 2HG1 VAL 40 -7.215 -0.505 1.083 234 3HG1 VAL 40 3HG1 VAL 40 -8.354 0.746 0.592 235 1HG2 VAL 40 1HG2 VAL 40 -5.868 2.922 -1.036 236 2HG2 VAL 40 2HG2 VAL 40 -6.384 3.116 0.640 237 3HG2 VAL 40 3HG2 VAL 40 -7.570 2.744 -0.612 238 H VAL 41 H VAL 41 -3.969 -0.552 2.351 239 HA VAL 41 HA VAL 41 -3.930 -3.089 0.914 240 HB VAL 41 HB VAL 41 -3.344 -2.900 3.844 241 1HG1 VAL 41 1HG1 VAL 41 -1.725 -4.664 3.259 242 2HG1 VAL 41 2HG1 VAL 41 -2.241 -4.544 1.576 243 3HG1 VAL 41 3HG1 VAL 41 -3.381 -5.072 2.815 244 1HG2 VAL 41 1HG2 VAL 41 -1.022 -2.319 3.437 245 2HG2 VAL 41 2HG2 VAL 41 -2.094 -1.031 2.870 246 3HG2 VAL 41 3HG2 VAL 41 -1.358 -2.137 1.710 247 H ARG 42 H ARG 42 -5.895 -3.960 0.707 248 HA ARG 42 HA ARG 42 -7.821 -3.669 2.880 249 1HB ARG 42 2HB ARG 42 -8.135 -4.668 0.044 250 2HB ARG 42 1HB ARG 42 -9.440 -4.600 1.218 251 1HG ARG 42 2HG ARG 42 -9.244 -2.193 1.362 252 2HG ARG 42 1HG ARG 42 -7.863 -2.219 0.265 253 1HD ARG 42 2HD ARG 42 -9.224 -2.939 -1.553 254 2HD ARG 42 1HD ARG 42 -10.596 -3.242 -0.485 255 HE ARG 42 HE ARG 42 -10.836 -0.865 -0.214 256 1HH1 ARG 42 1HH1 ARG 42 -8.678 -1.867 -2.771 257 2HH1 ARG 42 2HH1 ARG 42 -8.727 -0.342 -3.588 258 1HH2 ARG 42 1HH2 ARG 42 -10.924 1.156 -1.306 259 2HH2 ARG 42 2HH2 ARG 42 -9.991 1.377 -2.765 260 H ASP 43 H ASP 43 -9.227 -5.651 3.255 261 HA ASP 43 HA ASP 43 -7.490 -7.992 3.579 262 1HB ASP 43 2HB ASP 43 -8.907 -8.717 5.284 263 2HB ASP 43 1HB ASP 43 -8.978 -6.971 5.464 264 H THR 44 H THR 44 -9.334 -9.994 3.646 265 HA THR 44 HA THR 44 -9.514 -10.542 0.865 266 HB THR 44 HB THR 44 -10.993 -12.319 2.681 267 HG1 THR 44 HG1 THR 44 -8.190 -12.322 2.981 268 1HG2 THR 44 1HG2 THR 44 -8.663 -12.670 0.795 269 2HG2 THR 44 2HG2 THR 44 -10.362 -12.956 0.412 270 3HG2 THR 44 3HG2 THR 44 -9.536 -13.982 1.586 271 H GLU 45 H GLU 45 -11.681 -9.103 3.124 272 HA GLU 45 HA GLU 45 -14.034 -9.662 1.500 273 1HB GLU 45 2HB GLU 45 -14.163 -9.574 3.996 274 2HB GLU 45 1HB GLU 45 -13.748 -7.867 3.919 275 1HG GLU 45 2HG GLU 45 -15.782 -7.337 2.811 276 2HG GLU 45 1HG GLU 45 -16.162 -9.040 2.568 277 H GLY 46 H GLY 46 -11.603 -7.255 1.954 278 1HA GLY 46 2HA GLY 46 -11.150 -5.718 0.162 279 2HA GLY 46 1HA GLY 46 -12.874 -5.657 -0.170 280 H ARG 47 H ARG 47 -11.995 -5.575 3.144 281 HA ARG 47 HA ARG 47 -12.861 -2.819 3.335 282 1HB ARG 47 2HB ARG 47 -11.902 -4.696 5.497 283 2HB ARG 47 1HB ARG 47 -12.752 -3.183 5.722 284 1HG ARG 47 2HG ARG 47 -14.723 -4.128 4.624 285 2HG ARG 47 1HG ARG 47 -13.863 -5.659 4.443 286 1HD ARG 47 2HD ARG 47 -14.714 -4.298 6.985 287 2HD ARG 47 1HD ARG 47 -15.230 -5.867 6.369 288 HE ARG 47 HE ARG 47 -12.574 -5.247 7.491 289 1HH1 ARG 47 1HH1 ARG 47 -15.008 -7.572 6.503 290 2HH1 ARG 47 2HH1 ARG 47 -14.209 -8.913 7.280 291 1HH2 ARG 47 1HH2 ARG 47 -11.526 -7.017 8.500 292 2HH2 ARG 47 2HH2 ARG 47 -12.239 -8.601 8.398 293 H MET 48 H MET 48 -11.554 -1.092 3.970 294 HA MET 48 HA MET 48 -8.747 -1.448 3.427 295 1HB MET 48 2HB MET 48 -8.598 1.014 3.973 296 2HB MET 48 1HB MET 48 -9.607 0.581 2.606 297 1HG MET 48 2HG MET 48 -11.601 0.879 3.962 298 2HG MET 48 1HG MET 48 -10.599 1.225 5.373 299 1HE MET 48 1HE MET 48 -9.611 2.393 1.796 300 2HE MET 48 2HE MET 48 -10.453 3.934 1.641 301 3HE MET 48 3HE MET 48 -11.370 2.428 1.671 302 H VAL 49 H VAL 49 -7.596 -2.448 4.896 303 HA VAL 49 HA VAL 49 -7.966 -1.942 7.731 304 HB VAL 49 HB VAL 49 -5.849 -3.637 6.396 305 1HG1 VAL 49 1HG1 VAL 49 -5.432 -3.064 8.742 306 2HG1 VAL 49 2HG1 VAL 49 -5.741 -4.787 8.533 307 3HG1 VAL 49 3HG1 VAL 49 -7.002 -3.737 9.181 308 1HG2 VAL 49 1HG2 VAL 49 -8.022 -4.397 5.647 309 2HG2 VAL 49 2HG2 VAL 49 -8.604 -4.447 7.312 310 3HG2 VAL 49 3HG2 VAL 49 -7.335 -5.554 6.788 311 H TRP 50 H TRP 50 -5.696 -1.281 5.155 312 HA TRP 50 HA TRP 50 -4.452 0.812 6.789 313 1HB TRP 50 2HB TRP 50 -2.945 -1.185 6.825 314 2HB TRP 50 1HB TRP 50 -2.884 -1.128 5.068 315 HD1 TRP 50 HD1 TRP 50 -1.192 0.250 8.098 316 HE1 TRP 50 HE1 TRP 50 0.601 1.950 7.430 317 HE3 TRP 50 HE3 TRP 50 -2.436 0.810 3.197 318 HZ2 TRP 50 HZ2 TRP 50 1.394 3.352 5.109 319 HZ3 TRP 50 HZ3 TRP 50 -1.133 2.342 1.831 320 HH2 TRP 50 HH2 TRP 50 0.755 3.593 2.748 321 H ARG 51 H ARG 51 -4.685 2.664 5.745 322 HA ARG 51 HA ARG 51 -3.958 2.729 2.963 323 1HB ARG 51 2HB ARG 51 -5.949 3.997 2.242 324 2HB ARG 51 1HB ARG 51 -6.310 2.353 2.715 325 1HG ARG 51 2HG ARG 51 -8.042 3.393 3.715 326 2HG ARG 51 1HG ARG 51 -6.868 3.499 5.026 327 1HD ARG 51 2HD ARG 51 -6.282 5.766 4.299 328 2HD ARG 51 1HD ARG 51 -7.470 5.654 3.001 329 HE ARG 51 HE ARG 51 -9.210 5.728 4.606 330 1HH1 ARG 51 1HH1 ARG 51 -6.017 6.152 5.987 331 2HH1 ARG 51 2HH1 ARG 51 -6.615 6.819 7.475 332 1HH2 ARG 51 1HH2 ARG 51 -9.996 6.610 6.577 333 2HH2 ARG 51 2HH2 ARG 51 -8.858 7.088 7.809 334 H ALA 52 H ALA 52 -2.636 4.279 2.647 335 HA ALA 52 HA ALA 52 -2.808 6.815 4.013 336 1HB ALA 52 1HB ALA 52 -0.614 6.638 5.089 337 2HB ALA 52 2HB ALA 52 -0.477 4.965 4.550 338 3HB ALA 52 3HB ALA 52 -1.721 5.415 5.717 339 H TRP 53 H TRP 53 -0.625 8.066 3.393 340 HA TRP 53 HA TRP 53 -0.601 7.846 0.488 341 1HB TRP 53 2HB TRP 53 0.357 10.056 2.319 342 2HB TRP 53 1HB TRP 53 0.273 10.132 0.581 343 HD1 TRP 53 HD1 TRP 53 -1.905 10.164 3.622 344 HE1 TRP 53 HE1 TRP 53 -4.205 11.094 2.973 345 HE3 TRP 53 HE3 TRP 53 -1.277 10.392 -1.422 346 HZ2 TRP 53 HZ2 TRP 53 -5.593 11.832 0.618 347 HZ3 TRP 53 HZ3 TRP 53 -3.129 11.220 -2.812 348 HH2 TRP 53 HH2 TRP 53 -5.244 11.925 -1.813 349 H ASN 54 H ASN 54 1.799 9.352 0.184 350 HA ASN 54 HA ASN 54 3.732 7.184 0.654 351 1HB ASN 54 2HB ASN 54 3.169 7.582 -1.717 352 2HB ASN 54 1HB ASN 54 3.696 9.252 -1.558 353 1HD2 ASN 54 1HD2 ASN 54 5.881 9.714 -1.462 354 2HD2 ASN 54 2HD2 ASN 54 7.097 8.545 -1.840 355 H PHE 55 H PHE 55 3.170 10.607 0.902 356 HA PHE 55 HA PHE 55 5.915 11.282 1.425 357 1HB PHE 55 2HB PHE 55 4.888 13.557 1.952 358 2HB PHE 55 1HB PHE 55 4.699 12.961 0.310 359 HD1 PHE 55 HD1 PHE 55 2.940 13.400 3.542 360 HD2 PHE 55 HD2 PHE 55 2.564 12.648 -0.627 361 HE1 PHE 55 HE1 PHE 55 0.507 13.730 3.706 362 HE2 PHE 55 HE2 PHE 55 0.129 12.977 -0.472 363 HZ PHE 55 HZ PHE 55 -0.900 13.518 1.697 364 H GLU 56 H GLU 56 4.853 9.344 3.220 365 HA GLU 56 HA GLU 56 4.836 10.847 5.747 366 1HB GLU 56 2HB GLU 56 3.733 8.099 5.135 367 2HB GLU 56 1HB GLU 56 3.751 8.846 6.730 368 1HG GLU 56 2HG GLU 56 2.357 10.672 5.883 369 2HG GLU 56 1HG GLU 56 2.327 9.906 4.299 370 HA PRO 57 HA PRO 57 8.937 9.792 6.502 371 1HB PRO 57 2HB PRO 57 8.771 9.283 9.245 372 2HB PRO 57 1HB PRO 57 9.019 10.857 8.486 373 1HG PRO 57 2HG PRO 57 6.505 9.617 9.509 374 2HG PRO 57 1HG PRO 57 7.027 11.311 9.567 375 1HD PRO 57 2HD PRO 57 5.183 10.497 7.822 376 2HD PRO 57 1HD PRO 57 6.404 11.703 7.363 377 H ASP 58 H ASP 58 6.577 7.511 7.845 378 HA ASP 58 HA ASP 58 8.461 5.371 7.167 379 1HB ASP 58 2HB ASP 58 7.768 4.138 9.253 380 2HB ASP 58 1HB ASP 58 8.769 5.556 9.529 381 H ALA 59 H ALA 59 6.446 6.165 5.537 382 HA ALA 59 HA ALA 59 3.942 4.979 5.936 383 1HB ALA 59 1HB ALA 59 4.375 6.671 4.226 384 2HB ALA 59 2HB ALA 59 3.631 5.233 3.532 385 3HB ALA 59 3HB ALA 59 5.361 5.516 3.328 386 H GLY 60 H GLY 60 6.892 3.717 4.439 387 1HA GLY 60 2HA GLY 60 5.766 1.237 3.637 388 2HA GLY 60 1HA GLY 60 7.480 1.592 3.797 389 H GLU 61 H GLU 61 7.081 2.379 6.643 390 HA GLU 61 HA GLU 61 7.505 -0.215 7.766 391 1HB GLU 61 2HB GLU 61 8.636 1.923 8.520 392 2HB GLU 61 1HB GLU 61 7.112 2.365 9.278 393 1HG GLU 61 2HG GLU 61 7.226 0.342 10.656 394 2HG GLU 61 1HG GLU 61 8.777 -0.059 9.917 395 H GLY 62 H GLY 62 4.888 2.142 7.751 396 1HA GLY 62 2HA GLY 62 3.137 0.794 9.505 397 2HA GLY 62 1HA GLY 62 2.647 1.885 8.214 398 H LEU 63 H LEU 63 3.618 0.527 6.012 399 HA LEU 63 HA LEU 63 1.685 -1.465 5.540 400 1HB LEU 63 2HB LEU 63 4.225 -0.705 4.112 401 2HB LEU 63 1HB LEU 63 3.148 -1.956 3.517 402 HG LEU 63 HG LEU 63 1.919 0.682 4.113 403 1HD1 LEU 63 1HD1 LEU 63 3.996 1.332 2.985 404 2HD1 LEU 63 2HD1 LEU 63 2.601 1.575 1.934 405 3HD1 LEU 63 3HD1 LEU 63 3.658 0.185 1.688 406 1HD2 LEU 63 1HD2 LEU 63 0.611 -1.211 3.290 407 2HD2 LEU 63 2HD2 LEU 63 1.637 -1.303 1.858 408 3HD2 LEU 63 3HD2 LEU 63 0.624 0.116 2.130 409 H ASN 64 H ASN 64 5.135 -1.646 6.342 410 HA ASN 64 HA ASN 64 5.505 -4.393 6.385 411 1HB ASN 64 2HB ASN 64 6.981 -2.188 7.102 412 2HB ASN 64 1HB ASN 64 6.701 -2.968 8.654 413 1HD2 ASN 64 1HD2 ASN 64 8.265 -3.146 5.607 414 2HD2 ASN 64 2HD2 ASN 64 9.269 -4.505 5.958 415 H ARG 65 H ARG 65 3.955 -2.266 8.696 416 HA ARG 65 HA ARG 65 3.704 -4.165 10.788 417 1HB ARG 65 2HB ARG 65 2.358 -1.534 10.206 418 2HB ARG 65 1HB ARG 65 1.989 -2.488 11.635 419 1HG ARG 65 2HG ARG 65 4.143 -2.214 12.516 420 2HG ARG 65 1HG ARG 65 4.795 -1.670 10.969 421 1HD ARG 65 2HD ARG 65 4.505 0.157 12.612 422 2HD ARG 65 1HD ARG 65 3.588 0.399 11.127 423 HE ARG 65 HE ARG 65 1.591 -0.136 12.320 424 1HH1 ARG 65 1HH1 ARG 65 4.444 0.273 14.321 425 2HH1 ARG 65 2HH1 ARG 65 3.536 0.551 15.782 426 1HH2 ARG 65 1HH2 ARG 65 0.395 0.255 14.221 427 2HH2 ARG 65 2HH2 ARG 65 1.223 0.535 15.720 428 H TYR 66 H TYR 66 1.704 -3.332 7.985 429 HA TYR 66 HA TYR 66 -0.438 -5.065 8.813 430 1HB TYR 66 2HB TYR 66 -0.850 -3.277 7.163 431 2HB TYR 66 1HB TYR 66 0.255 -4.058 6.036 432 HD1 TYR 66 HD1 TYR 66 -3.106 -3.997 7.368 433 HD2 TYR 66 HD2 TYR 66 -0.361 -6.294 5.064 434 HE1 TYR 66 HE1 TYR 66 -4.968 -5.345 6.494 435 HE2 TYR 66 HE2 TYR 66 -2.215 -7.641 4.182 436 HH TYR 66 HH TYR 66 -5.452 -6.761 4.501 437 H ILE 67 H ILE 67 2.218 -5.333 6.467 438 HA ILE 67 HA ILE 67 1.715 -7.987 5.684 439 HB ILE 67 HB ILE 67 4.406 -6.591 5.689 440 1HG1 ILE 67 2HG1 ILE 67 2.257 -6.590 3.553 441 2HG1 ILE 67 1HG1 ILE 67 2.599 -5.241 4.631 442 1HG2 ILE 67 1HG2 ILE 67 4.488 -9.009 5.219 443 2HG2 ILE 67 2HG2 ILE 67 4.904 -8.056 3.796 444 3HG2 ILE 67 3HG2 ILE 67 3.306 -8.795 3.926 445 1HD1 ILE 67 1HD1 ILE 67 3.600 -4.916 2.437 446 2HD1 ILE 67 2HD1 ILE 67 4.516 -6.412 2.626 447 3HD1 ILE 67 3HD1 ILE 67 4.834 -5.041 3.689 448 H ARG 68 H ARG 68 2.994 -6.760 8.584 449 HA ARG 68 HA ARG 68 4.585 -8.718 9.640 450 1HB ARG 68 2HB ARG 68 4.023 -6.728 10.881 451 2HB ARG 68 1HB ARG 68 2.328 -7.185 10.940 452 1HG ARG 68 2HG ARG 68 3.272 -7.601 13.079 453 2HG ARG 68 1HG ARG 68 2.983 -9.162 12.309 454 1HD ARG 68 2HD ARG 68 5.369 -9.194 11.616 455 2HD ARG 68 1HD ARG 68 5.617 -7.712 12.544 456 HE ARG 68 HE ARG 68 4.709 -10.246 13.768 457 1HH1 ARG 68 1HH1 ARG 68 6.680 -7.345 13.803 458 2HH1 ARG 68 2HH1 ARG 68 7.428 -7.718 15.327 459 1HH2 ARG 68 1HH2 ARG 68 5.698 -10.748 15.749 460 2HH2 ARG 68 2HH2 ARG 68 6.899 -9.687 16.420 461 H THR 69 H THR 69 1.140 -8.910 8.982 462 HA THR 69 HA THR 69 0.912 -11.434 10.433 463 HB THR 69 HB THR 69 -0.850 -9.660 10.671 464 HG1 THR 69 HG1 THR 69 -2.531 -11.148 10.641 465 1HG2 THR 69 1HG2 THR 69 -1.593 -10.437 7.848 466 2HG2 THR 69 2HG2 THR 69 -0.867 -8.900 8.321 467 3HG2 THR 69 3HG2 THR 69 -2.477 -9.330 8.900 468 H SER 70 H SER 70 2.500 -11.128 7.996 469 HA SER 70 HA SER 70 3.163 -12.598 6.393 470 1HB SER 70 2HB SER 70 1.826 -14.340 7.690 471 2HB SER 70 1HB SER 70 0.499 -14.006 6.575 472 HG SER 70 HG SER 70 1.436 -15.355 5.276 473 H GLY 71 H GLY 71 0.074 -11.038 6.279 474 1HA GLY 71 2HA GLY 71 -0.780 -9.750 4.542 475 2HA GLY 71 1HA GLY 71 0.510 -10.342 3.506 476 H ILE 72 H ILE 72 -1.422 -10.388 2.026 477 HA ILE 72 HA ILE 72 -3.142 -12.720 2.499 478 HB ILE 72 HB ILE 72 -3.559 -10.476 0.510 479 1HG1 ILE 72 2HG1 ILE 72 -3.679 -9.567 2.733 480 2HG1 ILE 72 1HG1 ILE 72 -5.328 -9.755 2.148 481 1HG2 ILE 72 1HG2 ILE 72 -4.700 -12.557 -0.112 482 2HG2 ILE 72 2HG2 ILE 72 -5.852 -11.308 0.363 483 3HG2 ILE 72 3HG2 ILE 72 -5.457 -12.615 1.480 484 1HD1 ILE 72 1HD1 ILE 72 -5.529 -11.829 3.452 485 2HD1 ILE 72 2HD1 ILE 72 -5.166 -10.430 4.460 486 3HD1 ILE 72 3HD1 ILE 72 -3.891 -11.585 4.064 487 H ARG 73 H ARG 73 -0.314 -12.269 1.201 488 HA ARG 73 HA ARG 73 -0.202 -13.082 -1.426 489 1HB ARG 73 2HB ARG 73 2.000 -14.019 -0.889 490 2HB ARG 73 1HB ARG 73 1.737 -12.461 -0.122 491 1HG ARG 73 2HG ARG 73 1.196 -13.576 1.980 492 2HG ARG 73 1HG ARG 73 1.461 -15.139 1.213 493 1HD ARG 73 2HD ARG 73 3.785 -14.678 0.908 494 2HD ARG 73 1HD ARG 73 3.575 -13.002 1.422 495 HE ARG 73 HE ARG 73 2.700 -14.675 3.487 496 1HH1 ARG 73 1HH1 ARG 73 5.689 -13.908 1.844 497 2HH1 ARG 73 2HH1 ARG 73 6.655 -14.044 3.280 498 1HH2 ARG 73 1HH2 ARG 73 3.955 -14.909 5.357 499 2HH2 ARG 73 2HH2 ARG 73 5.679 -14.651 5.284 500 H THR 74 H THR 74 -1.175 -14.975 1.309 501 HA THR 74 HA THR 74 -0.733 -17.563 0.293 502 HB THR 74 HB THR 74 -1.281 -17.140 2.658 503 HG1 THR 74 HG1 THR 74 -2.751 -18.941 1.086 504 1HG2 THR 74 1HG2 THR 74 -4.056 -16.527 1.636 505 2HG2 THR 74 2HG2 THR 74 -2.941 -15.375 2.371 506 3HG2 THR 74 3HG2 THR 74 -3.601 -16.700 3.330 507 H ASP 75 H ASP 75 -2.540 -15.152 -0.991 508 HA ASP 75 HA ASP 75 -4.915 -16.444 -1.842 509 1HB ASP 75 2HB ASP 75 -4.752 -14.052 -2.029 510 2HB ASP 75 1HB ASP 75 -3.321 -14.176 -3.046 Start of MODEL 15 1 H GLY 10 H GLY 10 11.608 2.611 5.802 2 1HA GLY 10 2HA GLY 10 10.132 4.280 6.352 3 2HA GLY 10 1HA GLY 10 11.208 5.383 5.506 4 HA PRO 11 HA PRO 11 7.731 5.773 2.709 5 1HB PRO 11 2HB PRO 11 9.451 7.571 1.186 6 2HB PRO 11 1HB PRO 11 7.969 7.935 2.074 7 1HG PRO 11 2HG PRO 11 10.404 8.796 2.881 8 2HG PRO 11 1HG PRO 11 9.092 8.422 4.012 9 1HD PRO 11 2HD PRO 11 11.470 6.765 3.251 10 2HD PRO 11 1HD PRO 11 10.743 7.023 4.853 11 H PHE 12 H PHE 12 7.459 5.624 0.311 12 HA PHE 12 HA PHE 12 9.477 3.822 -0.865 13 1HB PHE 12 2HB PHE 12 7.591 2.557 -1.887 14 2HB PHE 12 1HB PHE 12 7.652 2.443 -0.135 15 HD1 PHE 12 HD1 PHE 12 6.142 4.198 1.133 16 HD2 PHE 12 HD2 PHE 12 5.565 2.986 -2.907 17 HE1 PHE 12 HE1 PHE 12 3.792 4.876 1.271 18 HE2 PHE 12 HE2 PHE 12 3.198 3.664 -2.766 19 HZ PHE 12 HZ PHE 12 2.315 4.613 -0.679 20 H THR 13 H THR 13 8.440 3.397 -3.282 21 HA THR 13 HA THR 13 8.095 6.053 -4.494 22 HB THR 13 HB THR 13 9.471 5.381 -6.367 23 HG1 THR 13 HG1 THR 13 10.625 3.242 -6.049 24 1HG2 THR 13 1HG2 THR 13 10.671 6.305 -4.466 25 2HG2 THR 13 2HG2 THR 13 11.648 5.069 -5.257 26 3HG2 THR 13 3HG2 THR 13 10.804 4.700 -3.752 27 H ARG 14 H ARG 14 7.243 5.811 -6.801 28 HA ARG 14 HA ARG 14 4.839 4.395 -6.974 29 1HB ARG 14 2HB ARG 14 5.719 6.339 -8.399 30 2HB ARG 14 1HB ARG 14 6.598 5.135 -9.312 31 1HG ARG 14 2HG ARG 14 3.632 4.919 -8.986 32 2HG ARG 14 1HG ARG 14 4.340 5.972 -10.210 33 1HD ARG 14 2HD ARG 14 5.649 3.965 -11.000 34 2HD ARG 14 1HD ARG 14 4.630 2.995 -9.939 35 HE ARG 14 HE ARG 14 3.009 4.589 -11.601 36 1HH1 ARG 14 1HH1 ARG 14 5.163 1.833 -11.754 37 2HH1 ARG 14 2HH1 ARG 14 4.347 1.106 -13.109 38 1HH2 ARG 14 1HH2 ARG 14 1.961 3.664 -13.410 39 2HH2 ARG 14 2HH2 ARG 14 2.525 2.149 -14.045 40 H ARG 15 H ARG 15 8.064 3.664 -8.125 41 HA ARG 15 HA ARG 15 7.564 1.229 -9.408 42 1HB ARG 15 2HB ARG 15 9.619 2.408 -9.769 43 2HB ARG 15 1HB ARG 15 10.030 2.328 -8.064 44 1HG ARG 15 2HG ARG 15 10.372 -0.051 -8.215 45 2HG ARG 15 1HG ARG 15 9.834 -0.051 -9.896 46 1HD ARG 15 2HD ARG 15 12.204 1.514 -8.886 47 2HD ARG 15 1HD ARG 15 12.318 -0.100 -9.589 48 HE ARG 15 HE ARG 15 11.544 0.819 -11.679 49 1HH1 ARG 15 1HH1 ARG 15 12.452 3.182 -9.254 50 2HH1 ARG 15 2HH1 ARG 15 12.693 4.462 -10.405 51 1HH2 ARG 15 1HH2 ARG 15 11.884 2.480 -13.192 52 2HH2 ARG 15 2HH2 ARG 15 12.366 4.062 -12.653 53 H GLN 16 H GLN 16 8.801 1.806 -6.103 54 HA GLN 16 HA GLN 16 8.879 -0.858 -5.281 55 1HB GLN 16 2HB GLN 16 8.491 1.692 -3.737 56 2HB GLN 16 1HB GLN 16 8.548 0.131 -2.938 57 1HG GLN 16 2HG GLN 16 10.733 1.289 -4.652 58 2HG GLN 16 1HG GLN 16 10.705 1.279 -2.889 59 1HE2 GLN 16 1HE2 GLN 16 12.666 0.103 -4.643 60 2HE2 GLN 16 2HE2 GLN 16 12.672 -1.596 -4.308 61 H ALA 17 H ALA 17 6.279 1.527 -4.884 62 HA ALA 17 HA ALA 17 4.428 0.037 -3.500 63 1HB ALA 17 1HB ALA 17 2.720 1.450 -4.469 64 2HB ALA 17 2HB ALA 17 3.806 1.910 -5.781 65 3HB ALA 17 3HB ALA 17 4.160 2.406 -4.125 66 H GLN 18 H GLN 18 4.797 0.139 -7.043 67 HA GLN 18 HA GLN 18 2.695 -1.591 -7.637 68 1HB GLN 18 2HB GLN 18 5.151 -0.726 -9.104 69 2HB GLN 18 1HB GLN 18 4.154 -2.010 -9.768 70 1HG GLN 18 2HG GLN 18 3.232 0.776 -9.092 71 2HG GLN 18 1HG GLN 18 3.554 0.146 -10.708 72 1HE2 GLN 18 1HE2 GLN 18 1.084 1.227 -9.573 73 2HE2 GLN 18 2HE2 GLN 18 -0.104 -0.017 -9.748 74 H ALA 19 H ALA 19 6.065 -2.283 -6.841 75 HA ALA 19 HA ALA 19 5.978 -5.027 -7.579 76 1HB ALA 19 1HB ALA 19 7.819 -3.633 -5.636 77 2HB ALA 19 2HB ALA 19 8.075 -3.778 -7.375 78 3HB ALA 19 3HB ALA 19 8.079 -5.221 -6.362 79 H VAL 20 H VAL 20 4.861 -3.299 -4.779 80 HA VAL 20 HA VAL 20 5.081 -5.663 -3.064 81 HB VAL 20 HB VAL 20 3.911 -2.969 -2.339 82 1HG1 VAL 20 1HG1 VAL 20 4.447 -3.645 -0.040 83 2HG1 VAL 20 2HG1 VAL 20 5.051 -5.190 -0.637 84 3HG1 VAL 20 3HG1 VAL 20 3.343 -4.780 -0.815 85 1HG2 VAL 20 1HG2 VAL 20 6.086 -2.396 -1.358 86 2HG2 VAL 20 2HG2 VAL 20 6.205 -2.627 -3.100 87 3HG2 VAL 20 3HG2 VAL 20 6.771 -3.887 -2.006 88 H THR 21 H THR 21 3.037 -4.059 -5.146 89 HA THR 21 HA THR 21 0.572 -4.945 -3.864 90 HB THR 21 HB THR 21 0.902 -3.330 -6.401 91 HG1 THR 21 HG1 THR 21 1.849 -2.185 -4.656 92 1HG2 THR 21 1HG2 THR 21 -1.359 -3.531 -4.448 93 2HG2 THR 21 2HG2 THR 21 -1.253 -4.465 -5.939 94 3HG2 THR 21 3HG2 THR 21 -1.364 -2.702 -6.003 95 H THR 22 H THR 22 2.608 -5.331 -6.646 96 HA THR 22 HA THR 22 1.203 -7.318 -8.007 97 HB THR 22 HB THR 22 4.176 -6.861 -7.667 98 HG1 THR 22 HG1 THR 22 3.089 -5.170 -8.743 99 1HG2 THR 22 1HG2 THR 22 4.467 -8.241 -9.647 100 2HG2 THR 22 2HG2 THR 22 2.741 -8.604 -9.650 101 3HG2 THR 22 3HG2 THR 22 3.758 -9.152 -8.318 102 H THR 23 H THR 23 3.330 -7.380 -5.197 103 HA THR 23 HA THR 23 3.223 -10.232 -4.921 104 HB THR 23 HB THR 23 4.093 -8.186 -2.878 105 HG1 THR 23 HG1 THR 23 5.444 -7.859 -4.570 106 1HG2 THR 23 1HG2 THR 23 3.725 -10.416 -1.941 107 2HG2 THR 23 2HG2 THR 23 5.446 -10.038 -1.996 108 3HG2 THR 23 3HG2 THR 23 4.745 -11.120 -3.197 109 H TYR 24 H TYR 24 1.777 -7.506 -3.019 110 HA TYR 24 HA TYR 24 -0.208 -9.456 -2.059 111 1HB TYR 24 2HB TYR 24 0.544 -6.785 -0.843 112 2HB TYR 24 1HB TYR 24 -0.506 -7.991 -0.137 113 HD1 TYR 24 HD1 TYR 24 2.935 -6.987 -0.778 114 HD2 TYR 24 HD2 TYR 24 0.462 -10.039 0.845 115 HE1 TYR 24 HE1 TYR 24 4.893 -7.967 0.339 116 HE2 TYR 24 HE2 TYR 24 2.412 -11.027 1.966 117 HH TYR 24 HH TYR 24 5.353 -9.422 2.302 118 H SER 25 H SER 25 -1.703 -9.254 -3.737 119 HA SER 25 HA SER 25 -2.324 -6.737 -4.897 120 1HB SER 25 2HB SER 25 -3.899 -9.296 -5.066 121 2HB SER 25 1HB SER 25 -3.930 -7.956 -6.197 122 HG SER 25 HG SER 25 -1.467 -8.525 -6.174 123 H ASN 26 H ASN 26 -3.070 -7.912 -1.944 124 HA ASN 26 HA ASN 26 -5.723 -6.837 -1.689 125 1HB ASN 26 2HB ASN 26 -5.509 -7.286 0.662 126 2HB ASN 26 1HB ASN 26 -4.807 -8.649 -0.199 127 1HD2 ASN 26 1HD2 ASN 26 -4.271 -6.078 1.981 128 2HD2 ASN 26 2HD2 ASN 26 -2.605 -6.405 2.312 129 H ILE 27 H ILE 27 -2.507 -5.657 -1.685 130 HA ILE 27 HA ILE 27 -3.146 -3.099 -0.502 131 HB ILE 27 HB ILE 27 -0.852 -3.459 -2.392 132 1HG1 ILE 27 2HG1 ILE 27 -0.926 -4.617 0.391 133 2HG1 ILE 27 1HG1 ILE 27 -0.653 -5.461 -1.099 134 1HG2 ILE 27 1HG2 ILE 27 -1.188 -1.962 0.205 135 2HG2 ILE 27 2HG2 ILE 27 -1.247 -1.273 -1.416 136 3HG2 ILE 27 3HG2 ILE 27 0.262 -1.946 -0.799 137 1HD1 ILE 27 1HD1 ILE 27 1.407 -5.151 0.142 138 2HD1 ILE 27 2HD1 ILE 27 1.165 -3.404 0.113 139 3HD1 ILE 27 3HD1 ILE 27 1.454 -4.280 -1.391 140 H THR 28 H THR 28 -3.331 -1.123 -1.785 141 HA THR 28 HA THR 28 -3.859 -1.558 -4.627 142 HB THR 28 HB THR 28 -5.959 -0.122 -4.400 143 HG1 THR 28 HG1 THR 28 -5.443 -0.755 -1.690 144 1HG2 THR 28 1HG2 THR 28 -7.378 -2.051 -3.813 145 2HG2 THR 28 2HG2 THR 28 -5.950 -2.903 -3.225 146 3HG2 THR 28 3HG2 THR 28 -6.087 -2.483 -4.932 147 H LEU 29 H LEU 29 -2.855 -0.063 -5.774 148 HA LEU 29 HA LEU 29 -1.941 2.368 -4.503 149 1HB LEU 29 2HB LEU 29 -0.602 0.974 -6.185 150 2HB LEU 29 1HB LEU 29 -1.658 1.645 -7.416 151 HG LEU 29 HG LEU 29 -0.103 3.452 -5.582 152 1HD1 LEU 29 1HD1 LEU 29 1.517 1.929 -6.541 153 2HD1 LEU 29 2HD1 LEU 29 1.660 3.526 -7.277 154 3HD1 LEU 29 3HD1 LEU 29 0.864 2.220 -8.154 155 1HD2 LEU 29 1HD2 LEU 29 -1.170 3.763 -8.389 156 2HD2 LEU 29 2HD2 LEU 29 -0.256 4.979 -7.498 157 3HD2 LEU 29 3HD2 LEU 29 -1.847 4.481 -6.928 158 H GLU 30 H GLU 30 -3.601 3.642 -4.112 159 HA GLU 30 HA GLU 30 -5.471 4.227 -6.313 160 1HB GLU 30 2HB GLU 30 -5.994 4.383 -3.336 161 2HB GLU 30 1HB GLU 30 -7.157 4.709 -4.611 162 1HG GLU 30 2HG GLU 30 -5.873 2.054 -4.029 163 2HG GLU 30 1HG GLU 30 -7.520 2.524 -3.614 164 H ASP 31 H ASP 31 -6.512 6.430 -5.991 165 HA ASP 31 HA ASP 31 -6.385 8.681 -5.847 166 1HB ASP 31 2HB ASP 31 -6.006 8.277 -3.439 167 2HB ASP 31 1HB ASP 31 -4.275 8.186 -3.740 168 H ASP 32 H ASP 32 -4.490 6.954 -7.493 169 HA ASP 32 HA ASP 32 -2.075 8.360 -7.770 170 1HB ASP 32 2HB ASP 32 -1.892 7.162 -9.942 171 2HB ASP 32 1HB ASP 32 -2.194 6.112 -8.575 172 H GLN 33 H GLN 33 -2.307 10.480 -7.973 173 HA GLN 33 HA GLN 33 -3.577 11.450 -10.441 174 1HB GLN 33 2HB GLN 33 -3.610 12.820 -7.738 175 2HB GLN 33 1HB GLN 33 -4.306 13.460 -9.225 176 1HG GLN 33 2HG GLN 33 -5.762 11.436 -9.310 177 2HG GLN 33 1HG GLN 33 -5.153 11.017 -7.714 178 1HE2 GLN 33 1HE2 GLN 33 -6.022 11.959 -5.950 179 2HE2 GLN 33 2HE2 GLN 33 -7.281 13.143 -6.001 180 H GLY 34 H GLY 34 -0.999 10.678 -10.326 181 1HA GLY 34 2HA GLY 34 0.915 11.519 -11.312 182 2HA GLY 34 1HA GLY 34 0.286 13.144 -11.095 183 H SER 35 H SER 35 0.552 14.174 -9.065 184 HA SER 35 HA SER 35 3.152 13.543 -8.008 185 1HB SER 35 2HB SER 35 1.285 15.838 -7.398 186 2HB SER 35 1HB SER 35 2.953 15.704 -6.841 187 HG SER 35 HG SER 35 3.636 16.307 -8.734 188 H HIS 36 H HIS 36 -0.074 12.831 -7.034 189 HA HIS 36 HA HIS 36 1.077 11.869 -4.526 190 1HB HIS 36 2HB HIS 36 -0.864 12.536 -3.207 191 2HB HIS 36 1HB HIS 36 -0.064 13.935 -3.903 192 HD1 HIS 36 HD1 HIS 36 -3.274 12.009 -3.975 193 HD2 HIS 36 HD2 HIS 36 -1.583 15.366 -5.777 194 HE1 HIS 36 HE1 HIS 36 -5.176 13.261 -5.018 195 HE2 HIS 36 HE2 HIS 36 -4.167 15.377 -5.920 196 H PHE 37 H PHE 37 0.155 10.073 -3.655 197 HA PHE 37 HA PHE 37 -2.149 8.768 -4.635 198 1HB PHE 37 2HB PHE 37 -1.053 6.808 -5.670 199 2HB PHE 37 1HB PHE 37 -0.737 8.276 -6.584 200 HD1 PHE 37 HD1 PHE 37 1.502 9.330 -6.489 201 HD2 PHE 37 HD2 PHE 37 0.705 5.565 -4.671 202 HE1 PHE 37 HE1 PHE 37 3.917 8.871 -6.390 203 HE2 PHE 37 HE2 PHE 37 3.116 5.101 -4.565 204 HZ PHE 37 HZ PHE 37 4.726 6.756 -5.424 205 H ARG 38 H ARG 38 -2.396 6.625 -3.543 206 HA ARG 38 HA ARG 38 -0.561 6.249 -1.287 207 1HB ARG 38 2HB ARG 38 -2.493 6.134 0.289 208 2HB ARG 38 1HB ARG 38 -2.184 7.737 -0.357 209 1HG ARG 38 2HG ARG 38 -4.000 7.400 -1.987 210 2HG ARG 38 1HG ARG 38 -4.334 5.834 -1.247 211 1HD ARG 38 2HD ARG 38 -4.911 6.867 0.832 212 2HD ARG 38 1HD ARG 38 -4.380 8.444 0.251 213 HE ARG 38 HE ARG 38 -6.324 7.657 -1.511 214 1HH1 ARG 38 1HH1 ARG 38 -6.133 8.115 1.946 215 2HH1 ARG 38 2HH1 ARG 38 -7.798 8.610 2.109 216 1HH2 ARG 38 1HH2 ARG 38 -8.517 8.304 -1.317 217 2HH2 ARG 38 2HH2 ARG 38 -9.157 8.681 0.251 218 H LEU 39 H LEU 39 -0.749 4.238 -0.216 219 HA LEU 39 HA LEU 39 -2.015 2.167 -1.867 220 1HB LEU 39 2HB LEU 39 0.148 1.941 0.219 221 2HB LEU 39 1HB LEU 39 -0.565 0.586 -0.616 222 HG LEU 39 HG LEU 39 0.935 2.801 -1.981 223 1HD1 LEU 39 1HD1 LEU 39 2.400 1.528 -0.503 224 2HD1 LEU 39 2HD1 LEU 39 2.750 1.175 -2.195 225 3HD1 LEU 39 3HD1 LEU 39 1.833 0.021 -1.224 226 1HD2 LEU 39 1HD2 LEU 39 -0.690 1.688 -3.405 227 2HD2 LEU 39 2HD2 LEU 39 -0.022 0.118 -2.965 228 3HD2 LEU 39 3HD2 LEU 39 0.953 1.266 -3.883 229 H VAL 40 H VAL 40 -3.935 1.658 -1.198 230 HA VAL 40 HA VAL 40 -4.584 1.655 1.643 231 HB VAL 40 HB VAL 40 -6.383 1.080 -0.719 232 1HG1 VAL 40 1HG1 VAL 40 -6.999 1.602 2.188 233 2HG1 VAL 40 2HG1 VAL 40 -7.225 0.086 1.316 234 3HG1 VAL 40 3HG1 VAL 40 -8.204 1.496 0.905 235 1HG2 VAL 40 1HG2 VAL 40 -5.547 3.366 -0.801 236 2HG2 VAL 40 2HG2 VAL 40 -6.043 3.621 0.872 237 3HG2 VAL 40 3HG2 VAL 40 -7.259 3.345 -0.374 238 H VAL 41 H VAL 41 -4.428 -0.132 2.797 239 HA VAL 41 HA VAL 41 -4.057 -2.712 1.469 240 HB VAL 41 HB VAL 41 -3.912 -1.971 4.407 241 1HG1 VAL 41 1HG1 VAL 41 -2.838 -4.161 4.673 242 2HG1 VAL 41 2HG1 VAL 41 -3.137 -4.506 2.969 243 3HG1 VAL 41 3HG1 VAL 41 -4.493 -4.310 4.081 244 1HG2 VAL 41 1HG2 VAL 41 -2.150 -0.910 3.095 245 2HG2 VAL 41 2HG2 VAL 41 -1.721 -2.472 2.394 246 3HG2 VAL 41 3HG2 VAL 41 -1.489 -2.186 4.119 247 H ARG 42 H ARG 42 -5.804 -3.903 1.054 248 HA ARG 42 HA ARG 42 -8.200 -3.532 2.732 249 1HB ARG 42 2HB ARG 42 -8.070 -4.582 -0.102 250 2HB ARG 42 1HB ARG 42 -9.513 -4.148 0.801 251 1HG ARG 42 2HG ARG 42 -8.980 -1.837 0.726 252 2HG ARG 42 1HG ARG 42 -7.354 -2.166 0.130 253 1HD ARG 42 2HD ARG 42 -8.594 -1.414 -1.729 254 2HD ARG 42 1HD ARG 42 -8.439 -3.156 -1.922 255 HE ARG 42 HE ARG 42 -10.848 -2.654 -0.598 256 1HH1 ARG 42 1HH1 ARG 42 -9.378 -2.083 -3.725 257 2HH1 ARG 42 2HH1 ARG 42 -10.887 -2.068 -4.584 258 1HH2 ARG 42 1HH2 ARG 42 -12.839 -2.631 -1.720 259 2HH2 ARG 42 2HH2 ARG 42 -12.861 -2.381 -3.443 260 H ASP 43 H ASP 43 -9.570 -5.463 2.972 261 HA ASP 43 HA ASP 43 -7.884 -7.780 3.571 262 1HB ASP 43 2HB ASP 43 -9.507 -8.445 5.145 263 2HB ASP 43 1HB ASP 43 -9.462 -6.693 5.290 264 H THR 44 H THR 44 -9.879 -9.759 3.606 265 HA THR 44 HA THR 44 -9.740 -10.627 0.924 266 HB THR 44 HB THR 44 -11.354 -12.429 1.728 267 HG1 THR 44 HG1 THR 44 -12.165 -12.251 3.674 268 1HG2 THR 44 1HG2 THR 44 -9.646 -13.537 3.090 269 2HG2 THR 44 2HG2 THR 44 -8.791 -12.003 3.268 270 3HG2 THR 44 3HG2 THR 44 -8.933 -12.755 1.679 271 H GLU 45 H GLU 45 -12.154 -8.862 2.705 272 HA GLU 45 HA GLU 45 -14.213 -9.229 0.702 273 1HB GLU 45 2HB GLU 45 -14.814 -8.939 3.059 274 2HB GLU 45 1HB GLU 45 -14.026 -7.370 3.081 275 1HG GLU 45 2HG GLU 45 -16.373 -7.019 2.938 276 2HG GLU 45 1HG GLU 45 -15.662 -6.585 1.386 277 H GLY 46 H GLY 46 -11.726 -6.933 1.549 278 1HA GLY 46 2HA GLY 46 -10.870 -5.435 -0.163 279 2HA GLY 46 1HA GLY 46 -12.515 -5.281 -0.771 280 H ARG 47 H ARG 47 -12.171 -5.322 2.639 281 HA ARG 47 HA ARG 47 -13.097 -2.599 2.829 282 1HB ARG 47 2HB ARG 47 -12.254 -4.502 5.016 283 2HB ARG 47 1HB ARG 47 -13.211 -3.048 5.202 284 1HG ARG 47 2HG ARG 47 -15.055 -4.028 4.033 285 2HG ARG 47 1HG ARG 47 -14.089 -5.454 3.635 286 1HD ARG 47 2HD ARG 47 -13.828 -5.857 6.088 287 2HD ARG 47 1HD ARG 47 -14.970 -4.544 6.370 288 HE ARG 47 HE ARG 47 -16.633 -5.899 5.170 289 1HH1 ARG 47 1HH1 ARG 47 -13.756 -7.486 6.361 290 2HH1 ARG 47 2HH1 ARG 47 -14.518 -9.033 6.536 291 1HH2 ARG 47 1HH2 ARG 47 -17.644 -7.942 5.353 292 2HH2 ARG 47 2HH2 ARG 47 -16.730 -9.299 5.953 293 H MET 48 H MET 48 -11.960 -0.859 3.703 294 HA MET 48 HA MET 48 -9.118 -0.922 3.456 295 1HB MET 48 2HB MET 48 -10.876 1.202 4.705 296 2HB MET 48 1HB MET 48 -9.186 1.397 4.273 297 1HG MET 48 2HG MET 48 -10.471 2.452 2.591 298 2HG MET 48 1HG MET 48 -9.817 0.971 1.900 299 1HE MET 48 1HE MET 48 -12.143 2.609 0.540 300 2HE MET 48 2HE MET 48 -13.265 1.328 0.086 301 3HE MET 48 3HE MET 48 -11.531 1.095 -0.125 302 H VAL 49 H VAL 49 -7.950 -2.044 4.888 303 HA VAL 49 HA VAL 49 -8.690 -1.964 7.722 304 HB VAL 49 HB VAL 49 -6.461 -3.525 6.393 305 1HG1 VAL 49 1HG1 VAL 49 -6.109 -3.163 8.775 306 2HG1 VAL 49 2HG1 VAL 49 -6.480 -4.857 8.449 307 3HG1 VAL 49 3HG1 VAL 49 -7.718 -3.796 9.122 308 1HG2 VAL 49 1HG2 VAL 49 -9.253 -4.398 7.124 309 2HG2 VAL 49 2HG2 VAL 49 -7.957 -5.474 6.600 310 3HG2 VAL 49 3HG2 VAL 49 -8.586 -4.248 5.498 311 H TRP 50 H TRP 50 -6.336 -0.834 5.457 312 HA TRP 50 HA TRP 50 -5.263 1.059 7.330 313 1HB TRP 50 2HB TRP 50 -3.904 -0.836 7.983 314 2HB TRP 50 1HB TRP 50 -3.538 -1.210 6.304 315 HD1 TRP 50 HD1 TRP 50 -1.308 -0.326 5.450 316 HE1 TRP 50 HE1 TRP 50 0.401 1.437 6.217 317 HE3 TRP 50 HE3 TRP 50 -3.893 1.646 9.395 318 HZ2 TRP 50 HZ2 TRP 50 0.627 3.402 8.223 319 HZ3 TRP 50 HZ3 TRP 50 -2.858 3.470 10.685 320 HH2 TRP 50 HH2 TRP 50 -0.644 4.327 10.110 321 H ARG 51 H ARG 51 -3.830 2.608 6.236 322 HA ARG 51 HA ARG 51 -3.436 2.407 3.410 323 1HB ARG 51 2HB ARG 51 -4.750 4.478 2.879 324 2HB ARG 51 1HB ARG 51 -5.734 3.080 3.291 325 1HG ARG 51 2HG ARG 51 -5.897 3.969 5.618 326 2HG ARG 51 1HG ARG 51 -5.077 5.425 5.058 327 1HD ARG 51 2HD ARG 51 -6.875 5.927 3.554 328 2HD ARG 51 1HD ARG 51 -7.660 4.386 3.906 329 HE ARG 51 HE ARG 51 -7.215 6.214 6.139 330 1HH1 ARG 51 1HH1 ARG 51 -9.467 4.941 3.774 331 2HH1 ARG 51 2HH1 ARG 51 -10.872 5.268 4.751 332 1HH2 ARG 51 1HH2 ARG 51 -9.045 6.661 7.412 333 2HH2 ARG 51 2HH2 ARG 51 -10.631 6.280 6.811 334 H ALA 52 H ALA 52 -1.814 3.708 2.746 335 HA ALA 52 HA ALA 52 -0.966 5.929 4.447 336 1HB ALA 52 1HB ALA 52 0.326 4.030 5.264 337 2HB ALA 52 2HB ALA 52 1.370 5.174 4.422 338 3HB ALA 52 3HB ALA 52 0.873 3.681 3.627 339 H TRP 53 H TRP 53 0.118 7.546 3.332 340 HA TRP 53 HA TRP 53 -0.122 7.455 0.452 341 1HB TRP 53 2HB TRP 53 1.028 9.649 2.182 342 2HB TRP 53 1HB TRP 53 0.465 9.782 0.540 343 HD1 TRP 53 HD1 TRP 53 -0.838 9.393 4.059 344 HE1 TRP 53 HE1 TRP 53 -3.247 10.247 4.121 345 HE3 TRP 53 HE3 TRP 53 -1.530 10.228 -0.917 346 HZ2 TRP 53 HZ2 TRP 53 -5.211 11.166 2.307 347 HZ3 TRP 53 HZ3 TRP 53 -3.698 11.098 -1.684 348 HH2 TRP 53 HH2 TRP 53 -5.502 11.561 -0.101 349 H ASN 54 H ASN 54 2.108 9.157 -0.066 350 HA ASN 54 HA ASN 54 4.199 7.084 0.030 351 1HB ASN 54 2HB ASN 54 3.200 7.787 -2.211 352 2HB ASN 54 1HB ASN 54 4.009 9.329 -1.982 353 1HD2 ASN 54 1HD2 ASN 54 6.217 9.470 -2.283 354 2HD2 ASN 54 2HD2 ASN 54 7.158 8.158 -2.902 355 H PHE 55 H PHE 55 3.444 9.810 1.613 356 HA PHE 55 HA PHE 55 6.208 10.808 1.583 357 1HB PHE 55 2HB PHE 55 5.229 13.045 2.221 358 2HB PHE 55 1HB PHE 55 4.895 12.495 0.584 359 HD1 PHE 55 HD1 PHE 55 3.419 12.824 3.969 360 HD2 PHE 55 HD2 PHE 55 2.708 12.262 -0.191 361 HE1 PHE 55 HE1 PHE 55 1.013 13.183 4.333 362 HE2 PHE 55 HE2 PHE 55 0.302 12.623 0.167 363 HZ PHE 55 HZ PHE 55 -0.549 13.084 2.430 364 H GLU 56 H GLU 56 4.128 9.132 3.507 365 HA GLU 56 HA GLU 56 4.669 10.294 6.020 366 1HB GLU 56 2HB GLU 56 3.956 7.488 5.200 367 2HB GLU 56 1HB GLU 56 4.326 7.880 6.871 368 1HG GLU 56 2HG GLU 56 2.066 8.086 6.894 369 2HG GLU 56 1HG GLU 56 2.524 9.742 6.510 370 HA PRO 57 HA PRO 57 9.013 9.949 6.506 371 1HB PRO 57 2HB PRO 57 8.224 9.200 9.296 372 2HB PRO 57 1HB PRO 57 9.416 10.381 8.740 373 1HG PRO 57 2HG PRO 57 7.044 11.190 9.603 374 2HG PRO 57 1HG PRO 57 7.798 11.956 8.192 375 1HD PRO 57 2HD PRO 57 5.530 10.028 8.317 376 2HD PRO 57 1HD PRO 57 5.822 11.359 7.181 377 H ASP 58 H ASP 58 6.961 7.379 7.816 378 HA ASP 58 HA ASP 58 8.805 5.453 6.655 379 1HB ASP 58 2HB ASP 58 9.221 5.848 9.236 380 2HB ASP 58 1HB ASP 58 7.796 4.827 9.406 381 H ALA 59 H ALA 59 6.734 5.863 5.293 382 HA ALA 59 HA ALA 59 4.230 4.898 6.090 383 1HB ALA 59 1HB ALA 59 3.696 4.752 3.726 384 2HB ALA 59 2HB ALA 59 5.408 4.845 3.312 385 3HB ALA 59 3HB ALA 59 4.605 6.226 4.057 386 H GLY 60 H GLY 60 7.025 3.240 4.807 387 1HA GLY 60 2HA GLY 60 5.901 0.763 4.204 388 2HA GLY 60 1HA GLY 60 7.575 1.030 4.659 389 H GLU 61 H GLU 61 6.985 2.018 7.334 390 HA GLU 61 HA GLU 61 7.165 -0.465 8.622 391 1HB GLU 61 2HB GLU 61 8.072 1.697 9.488 392 2HB GLU 61 1HB GLU 61 6.427 2.165 9.906 393 1HG GLU 61 2HG GLU 61 6.262 0.262 11.420 394 2HG GLU 61 1HG GLU 61 7.907 -0.218 11.001 395 H GLY 62 H GLY 62 4.417 1.724 8.181 396 1HA GLY 62 2HA GLY 62 2.635 0.241 9.857 397 2HA GLY 62 1HA GLY 62 2.178 1.468 8.685 398 H LEU 63 H LEU 63 3.168 0.386 6.362 399 HA LEU 63 HA LEU 63 1.156 -1.459 5.633 400 1HB LEU 63 2HB LEU 63 3.768 -0.801 4.252 401 2HB LEU 63 1HB LEU 63 2.434 -1.674 3.523 402 HG LEU 63 HG LEU 63 2.189 1.158 4.537 403 1HD1 LEU 63 1HD1 LEU 63 2.804 0.164 1.760 404 2HD1 LEU 63 2HD1 LEU 63 3.834 1.163 2.785 405 3HD1 LEU 63 3HD1 LEU 63 2.322 1.814 2.157 406 1HD2 LEU 63 1HD2 LEU 63 0.193 1.185 3.125 407 2HD2 LEU 63 2HD2 LEU 63 0.096 -0.075 4.354 408 3HD2 LEU 63 3HD2 LEU 63 0.479 -0.499 2.687 409 H ASN 64 H ASN 64 4.648 -1.901 6.192 410 HA ASN 64 HA ASN 64 4.684 -4.691 5.788 411 1HB ASN 64 2HB ASN 64 6.534 -2.921 7.394 412 2HB ASN 64 1HB ASN 64 6.840 -4.623 7.070 413 1HD2 ASN 64 1HD2 ASN 64 8.378 -2.274 6.318 414 2HD2 ASN 64 2HD2 ASN 64 8.506 -2.313 4.590 415 H ARG 65 H ARG 65 3.872 -2.731 8.549 416 HA ARG 65 HA ARG 65 3.940 -4.635 10.584 417 1HB ARG 65 2HB ARG 65 3.512 -2.410 11.232 418 2HB ARG 65 1HB ARG 65 2.191 -2.238 10.088 419 1HG ARG 65 2HG ARG 65 0.892 -3.872 11.452 420 2HG ARG 65 1HG ARG 65 2.195 -3.825 12.640 421 1HD ARG 65 2HD ARG 65 1.615 -1.778 13.393 422 2HD ARG 65 1HD ARG 65 1.169 -1.203 11.785 423 HE ARG 65 HE ARG 65 -0.794 -2.963 12.368 424 1HH1 ARG 65 1HH1 ARG 65 0.536 -0.235 14.118 425 2HH1 ARG 65 2HH1 ARG 65 -0.981 0.190 14.851 426 1HH2 ARG 65 1HH2 ARG 65 -2.774 -2.414 13.321 427 2HH2 ARG 65 2HH2 ARG 65 -2.861 -1.066 14.426 428 H TYR 66 H TYR 66 1.285 -3.782 8.372 429 HA TYR 66 HA TYR 66 -0.400 -5.876 9.338 430 1HB TYR 66 2HB TYR 66 -1.341 -3.862 8.300 431 2HB TYR 66 1HB TYR 66 -0.576 -4.286 6.771 432 HD1 TYR 66 HD1 TYR 66 -3.228 -5.211 9.154 433 HD2 TYR 66 HD2 TYR 66 -1.507 -5.937 5.342 434 HE1 TYR 66 HE1 TYR 66 -5.200 -6.539 8.528 435 HE2 TYR 66 HE2 TYR 66 -3.470 -7.270 4.698 436 HH TYR 66 HH TYR 66 -6.356 -7.303 6.548 437 H ILE 67 H ILE 67 1.786 -5.522 6.592 438 HA ILE 67 HA ILE 67 1.221 -7.885 5.218 439 HB ILE 67 HB ILE 67 3.838 -6.409 5.553 440 1HG1 ILE 67 2HG1 ILE 67 1.912 -6.473 3.223 441 2HG1 ILE 67 1HG1 ILE 67 1.937 -5.212 4.453 442 1HG2 ILE 67 1HG2 ILE 67 4.656 -7.624 3.596 443 2HG2 ILE 67 2HG2 ILE 67 3.181 -8.593 3.581 444 3HG2 ILE 67 3HG2 ILE 67 4.303 -8.719 4.934 445 1HD1 ILE 67 1HD1 ILE 67 4.183 -5.888 2.568 446 2HD1 ILE 67 2HD1 ILE 67 4.222 -4.630 3.805 447 3HD1 ILE 67 3HD1 ILE 67 3.100 -4.502 2.447 448 H ARG 68 H ARG 68 3.427 -7.301 7.912 449 HA ARG 68 HA ARG 68 4.509 -9.899 8.032 450 1HB ARG 68 2HB ARG 68 5.810 -8.349 9.115 451 2HB ARG 68 1HB ARG 68 4.432 -7.512 9.810 452 1HG ARG 68 2HG ARG 68 4.156 -9.244 11.457 453 2HG ARG 68 1HG ARG 68 5.443 -10.197 10.714 454 1HD ARG 68 2HD ARG 68 6.020 -8.785 12.788 455 2HD ARG 68 1HD ARG 68 7.107 -8.720 11.403 456 HE ARG 68 HE ARG 68 6.184 -6.573 10.845 457 1HH1 ARG 68 1HH1 ARG 68 5.227 -7.809 13.984 458 2HH1 ARG 68 2HH1 ARG 68 4.880 -6.228 14.631 459 1HH2 ARG 68 1HH2 ARG 68 5.723 -4.506 11.686 460 2HH2 ARG 68 2HH2 ARG 68 5.165 -4.349 13.329 461 H THR 69 H THR 69 1.721 -8.431 9.681 462 HA THR 69 HA THR 69 1.324 -10.728 11.338 463 HB THR 69 HB THR 69 -0.797 -9.526 11.964 464 HG1 THR 69 HG1 THR 69 -1.121 -8.296 10.093 465 1HG2 THR 69 1HG2 THR 69 1.243 -9.269 13.269 466 2HG2 THR 69 2HG2 THR 69 0.362 -7.742 13.197 467 3HG2 THR 69 3HG2 THR 69 1.786 -7.988 12.186 468 H SER 70 H SER 70 -0.237 -9.376 8.450 469 HA SER 70 HA SER 70 -1.562 -11.928 7.982 470 1HB SER 70 2HB SER 70 -3.130 -9.348 8.221 471 2HB SER 70 1HB SER 70 -3.787 -10.921 7.778 472 HG SER 70 HG SER 70 -4.167 -10.591 9.950 473 H GLY 71 H GLY 71 0.441 -11.097 6.414 474 1HA GLY 71 2HA GLY 71 -0.326 -9.579 4.162 475 2HA GLY 71 1HA GLY 71 0.928 -10.810 4.178 476 H ILE 72 H ILE 72 -1.553 -10.014 2.417 477 HA ILE 72 HA ILE 72 -3.150 -12.420 2.518 478 HB ILE 72 HB ILE 72 -3.305 -9.859 0.963 479 1HG1 ILE 72 2HG1 ILE 72 -5.658 -9.945 1.907 480 2HG1 ILE 72 1HG1 ILE 72 -5.143 -11.349 2.831 481 1HG2 ILE 72 1HG2 ILE 72 -5.257 -10.626 -0.276 482 2HG2 ILE 72 2HG2 ILE 72 -5.012 -12.261 0.338 483 3HG2 ILE 72 3HG2 ILE 72 -3.811 -11.531 -0.728 484 1HD1 ILE 72 1HD1 ILE 72 -5.074 -9.350 4.181 485 2HD1 ILE 72 2HD1 ILE 72 -3.995 -8.576 3.022 486 3HD1 ILE 72 3HD1 ILE 72 -3.446 -9.981 3.938 487 H ARG 73 H ARG 73 -0.181 -11.906 1.320 488 HA ARG 73 HA ARG 73 -0.179 -12.917 -1.281 489 1HB ARG 73 2HB ARG 73 1.797 -11.977 -0.436 490 2HB ARG 73 1HB ARG 73 1.870 -13.088 0.916 491 1HG ARG 73 2HG ARG 73 2.327 -14.926 -0.622 492 2HG ARG 73 1HG ARG 73 2.244 -13.811 -1.982 493 1HD ARG 73 2HD ARG 73 4.214 -12.709 -1.339 494 2HD ARG 73 1HD ARG 73 4.176 -13.408 0.281 495 HE ARG 73 HE ARG 73 4.639 -15.589 -0.833 496 1HH1 ARG 73 1HH1 ARG 73 5.528 -12.600 -2.441 497 2HH1 ARG 73 2HH1 ARG 73 6.792 -13.336 -3.378 498 1HH2 ARG 73 1HH2 ARG 73 6.307 -16.535 -2.015 499 2HH2 ARG 73 2HH2 ARG 73 7.257 -15.579 -3.117 500 H THR 74 H THR 74 -0.803 -14.529 1.695 501 HA THR 74 HA THR 74 -0.318 -17.197 1.099 502 HB THR 74 HB THR 74 -2.792 -16.183 2.510 503 HG1 THR 74 HG1 THR 74 -1.475 -16.079 4.386 504 1HG2 THR 74 1HG2 THR 74 -2.508 -18.206 3.864 505 2HG2 THR 74 2HG2 THR 74 -1.094 -18.647 2.907 506 3HG2 THR 74 3HG2 THR 74 -2.688 -18.597 2.153 507 H ASP 75 H ASP 75 -2.375 -14.973 -0.435 508 HA ASP 75 HA ASP 75 -3.391 -17.043 -2.203 509 1HB ASP 75 2HB ASP 75 -5.099 -16.763 -0.359 510 2HB ASP 75 1HB ASP 75 -5.346 -15.143 -0.988 Start of MODEL 16 1 H GLY 10 H GLY 10 11.168 2.680 6.215 2 1HA GLY 10 2HA GLY 10 9.650 4.349 6.630 3 2HA GLY 10 1HA GLY 10 10.825 5.453 5.939 4 HA PRO 11 HA PRO 11 7.618 6.071 2.890 5 1HB PRO 11 2HB PRO 11 9.523 7.797 1.520 6 2HB PRO 11 1HB PRO 11 8.007 8.224 2.310 7 1HG PRO 11 2HG PRO 11 10.432 8.933 3.295 8 2HG PRO 11 1HG PRO 11 9.017 8.641 4.322 9 1HD PRO 11 2HD PRO 11 11.351 6.855 3.754 10 2HD PRO 11 1HD PRO 11 10.484 7.129 5.281 11 H PHE 12 H PHE 12 7.295 5.584 0.687 12 HA PHE 12 HA PHE 12 9.410 3.846 -0.415 13 1HB PHE 12 2HB PHE 12 7.534 2.528 -1.433 14 2HB PHE 12 1HB PHE 12 7.622 2.458 0.321 15 HD1 PHE 12 HD1 PHE 12 5.574 3.228 -2.512 16 HD2 PHE 12 HD2 PHE 12 6.029 3.914 1.665 17 HE1 PHE 12 HE1 PHE 12 3.205 3.897 -2.359 18 HE2 PHE 12 HE2 PHE 12 3.672 4.595 1.812 19 HZ PHE 12 HZ PHE 12 2.259 4.590 -0.200 20 H THR 13 H THR 13 8.615 3.260 -2.789 21 HA THR 13 HA THR 13 8.223 5.808 -4.190 22 HB THR 13 HB THR 13 9.885 3.664 -5.430 23 HG1 THR 13 HG1 THR 13 10.788 5.447 -3.371 24 1HG2 THR 13 1HG2 THR 13 9.311 5.689 -6.653 25 2HG2 THR 13 2HG2 THR 13 11.047 5.614 -6.345 26 3HG2 THR 13 3HG2 THR 13 10.021 6.669 -5.373 27 H ARG 14 H ARG 14 7.299 5.517 -6.388 28 HA ARG 14 HA ARG 14 5.048 3.862 -6.392 29 1HB ARG 14 2HB ARG 14 5.427 5.893 -7.840 30 2HB ARG 14 1HB ARG 14 6.427 4.889 -8.871 31 1HG ARG 14 2HG ARG 14 4.572 3.445 -9.372 32 2HG ARG 14 1HG ARG 14 3.542 4.319 -8.238 33 1HD ARG 14 2HD ARG 14 3.663 6.310 -9.608 34 2HD ARG 14 1HD ARG 14 4.793 5.513 -10.709 35 HE ARG 14 HE ARG 14 2.975 3.978 -11.289 36 1HH1 ARG 14 1HH1 ARG 14 2.128 7.008 -9.738 37 2HH1 ARG 14 2HH1 ARG 14 0.493 7.004 -10.332 38 1HH2 ARG 14 1HH2 ARG 14 0.836 3.974 -12.077 39 2HH2 ARG 14 2HH2 ARG 14 -0.254 5.265 -11.627 40 H ARG 15 H ARG 15 8.101 3.506 -8.114 41 HA ARG 15 HA ARG 15 7.840 1.097 -9.367 42 1HB ARG 15 2HB ARG 15 9.864 2.400 -9.535 43 2HB ARG 15 1HB ARG 15 10.216 2.163 -7.831 44 1HG ARG 15 2HG ARG 15 11.648 0.778 -9.186 45 2HG ARG 15 1HG ARG 15 10.549 -0.232 -8.247 46 1HD ARG 15 2HD ARG 15 10.744 -1.066 -10.517 47 2HD ARG 15 1HD ARG 15 9.110 -0.479 -10.208 48 HE ARG 15 HE ARG 15 10.567 1.622 -11.340 49 1HH1 ARG 15 1HH1 ARG 15 9.486 -1.583 -12.251 50 2HH1 ARG 15 2HH1 ARG 15 9.239 -1.165 -13.924 51 1HH2 ARG 15 1HH2 ARG 15 10.309 2.168 -13.521 52 2HH2 ARG 15 2HH2 ARG 15 9.748 0.973 -14.653 53 H GLN 16 H GLN 16 8.980 1.482 -6.011 54 HA GLN 16 HA GLN 16 9.010 -1.254 -5.400 55 1HB GLN 16 2HB GLN 16 8.954 1.236 -3.734 56 2HB GLN 16 1HB GLN 16 8.734 -0.327 -2.963 57 1HG GLN 16 2HG GLN 16 11.034 0.317 -2.808 58 2HG GLN 16 1HG GLN 16 10.892 -1.062 -3.893 59 1HE2 GLN 16 1HE2 GLN 16 11.619 2.325 -3.633 60 2HE2 GLN 16 2HE2 GLN 16 12.295 2.502 -5.214 61 H ALA 17 H ALA 17 6.531 1.229 -4.790 62 HA ALA 17 HA ALA 17 4.734 -0.308 -3.335 63 1HB ALA 17 1HB ALA 17 4.068 1.858 -5.323 64 2HB ALA 17 2HB ALA 17 4.507 2.107 -3.631 65 3HB ALA 17 3HB ALA 17 3.014 1.262 -4.042 66 H GLN 18 H GLN 18 4.880 0.129 -6.857 67 HA GLN 18 HA GLN 18 2.645 -1.401 -7.503 68 1HB GLN 18 2HB GLN 18 5.163 -0.786 -9.034 69 2HB GLN 18 1HB GLN 18 3.804 -1.642 -9.733 70 1HG GLN 18 2HG GLN 18 2.369 0.322 -9.171 71 2HG GLN 18 1HG GLN 18 3.831 1.173 -8.674 72 1HE2 GLN 18 1HE2 GLN 18 3.687 -1.056 -11.364 73 2HE2 GLN 18 2HE2 GLN 18 3.918 0.129 -12.604 74 H ALA 19 H ALA 19 6.019 -2.340 -7.057 75 HA ALA 19 HA ALA 19 5.730 -5.027 -7.881 76 1HB ALA 19 1HB ALA 19 7.894 -3.884 -7.713 77 2HB ALA 19 2HB ALA 19 7.876 -5.405 -6.819 78 3HB ALA 19 3HB ALA 19 7.741 -3.872 -5.957 79 H VAL 20 H VAL 20 4.761 -3.430 -4.970 80 HA VAL 20 HA VAL 20 4.918 -5.882 -3.374 81 HB VAL 20 HB VAL 20 3.774 -3.224 -2.489 82 1HG1 VAL 20 1HG1 VAL 20 3.219 -5.135 -1.089 83 2HG1 VAL 20 2HG1 VAL 20 4.321 -4.047 -0.243 84 3HG1 VAL 20 3HG1 VAL 20 4.926 -5.546 -0.949 85 1HG2 VAL 20 1HG2 VAL 20 5.958 -2.731 -1.473 86 2HG2 VAL 20 2HG2 VAL 20 6.056 -2.815 -3.232 87 3HG2 VAL 20 3HG2 VAL 20 6.633 -4.162 -2.250 88 H THR 21 H THR 21 2.894 -3.974 -5.254 89 HA THR 21 HA THR 21 0.400 -4.953 -4.171 90 HB THR 21 HB THR 21 0.836 -3.287 -6.652 91 HG1 THR 21 HG1 THR 21 1.838 -2.303 -4.777 92 1HG2 THR 21 1HG2 THR 21 -1.386 -2.529 -6.203 93 2HG2 THR 21 2HG2 THR 21 -1.424 -3.446 -4.698 94 3HG2 THR 21 3HG2 THR 21 -1.376 -4.294 -6.243 95 H THR 22 H THR 22 2.483 -5.459 -6.989 96 HA THR 22 HA THR 22 0.756 -7.327 -8.240 97 HB THR 22 HB THR 22 2.998 -8.224 -9.195 98 HG1 THR 22 HG1 THR 22 4.776 -6.979 -8.825 99 1HG2 THR 22 1HG2 THR 22 2.156 -5.365 -9.685 100 2HG2 THR 22 2HG2 THR 22 1.471 -6.795 -10.457 101 3HG2 THR 22 3HG2 THR 22 3.147 -6.342 -10.766 102 H THR 23 H THR 23 3.126 -7.468 -5.668 103 HA THR 23 HA THR 23 2.967 -10.299 -5.341 104 HB THR 23 HB THR 23 3.876 -8.207 -3.359 105 HG1 THR 23 HG1 THR 23 5.165 -8.066 -5.178 106 1HG2 THR 23 1HG2 THR 23 3.415 -10.392 -2.330 107 2HG2 THR 23 2HG2 THR 23 5.141 -10.041 -2.344 108 3HG2 THR 23 3HG2 THR 23 4.461 -11.168 -3.516 109 H TYR 24 H TYR 24 1.512 -7.548 -3.473 110 HA TYR 24 HA TYR 24 -0.460 -9.491 -2.490 111 1HB TYR 24 2HB TYR 24 0.298 -6.830 -1.288 112 2HB TYR 24 1HB TYR 24 -0.790 -8.008 -0.588 113 HD1 TYR 24 HD1 TYR 24 0.160 -10.173 0.250 114 HD2 TYR 24 HD2 TYR 24 2.628 -6.956 -1.024 115 HE1 TYR 24 HE1 TYR 24 2.072 -11.180 1.419 116 HE2 TYR 24 HE2 TYR 24 4.547 -7.956 0.135 117 HH TYR 24 HH TYR 24 4.824 -9.571 2.155 118 H SER 25 H SER 25 -2.087 -9.374 -3.923 119 HA SER 25 HA SER 25 -2.883 -7.096 -5.350 120 1HB SER 25 2HB SER 25 -4.838 -8.484 -5.965 121 2HB SER 25 1HB SER 25 -3.313 -9.342 -6.162 122 HG SER 25 HG SER 25 -3.950 -10.755 -4.732 123 H ASN 26 H ASN 26 -3.381 -7.887 -2.118 124 HA ASN 26 HA ASN 26 -5.967 -6.657 -1.836 125 1HB ASN 26 2HB ASN 26 -5.710 -6.964 0.534 126 2HB ASN 26 1HB ASN 26 -5.139 -8.424 -0.262 127 1HD2 ASN 26 1HD2 ASN 26 -4.559 -7.180 2.374 128 2HD2 ASN 26 2HD2 ASN 26 -2.835 -7.062 2.446 129 H ILE 27 H ILE 27 -2.797 -5.575 -2.189 130 HA ILE 27 HA ILE 27 -3.206 -3.015 -0.892 131 HB ILE 27 HB ILE 27 -1.066 -3.536 -2.932 132 1HG1 ILE 27 2HG1 ILE 27 -1.112 -4.605 -0.119 133 2HG1 ILE 27 1HG1 ILE 27 -0.800 -5.463 -1.608 134 1HG2 ILE 27 1HG2 ILE 27 0.221 -2.011 -1.479 135 2HG2 ILE 27 2HG2 ILE 27 -1.188 -1.862 -0.431 136 3HG2 ILE 27 3HG2 ILE 27 -1.265 -1.285 -2.095 137 1HD1 ILE 27 1HD1 ILE 27 1.309 -4.300 -1.858 138 2HD1 ILE 27 2HD1 ILE 27 1.228 -5.142 -0.311 139 3HD1 ILE 27 3HD1 ILE 27 1.000 -3.394 -0.378 140 H THR 28 H THR 28 -3.546 -1.040 -2.056 141 HA THR 28 HA THR 28 -4.146 -1.349 -4.901 142 HB THR 28 HB THR 28 -6.223 0.178 -4.411 143 HG1 THR 28 HG1 THR 28 -5.692 -1.079 -1.925 144 1HG2 THR 28 1HG2 THR 28 -6.363 -2.002 -5.473 145 2HG2 THR 28 2HG2 THR 28 -7.647 -1.830 -4.276 146 3HG2 THR 28 3HG2 THR 28 -6.219 -2.797 -3.905 147 H LEU 29 H LEU 29 -3.351 0.232 -6.065 148 HA LEU 29 HA LEU 29 -2.235 2.567 -4.760 149 1HB LEU 29 2HB LEU 29 -1.192 1.223 -6.704 150 2HB LEU 29 1HB LEU 29 -2.333 2.065 -7.731 151 HG LEU 29 HG LEU 29 -0.360 3.526 -5.978 152 1HD1 LEU 29 1HD1 LEU 29 0.882 2.074 -7.480 153 2HD1 LEU 29 2HD1 LEU 29 1.042 3.763 -7.964 154 3HD1 LEU 29 3HD1 LEU 29 -0.037 2.687 -8.853 155 1HD2 LEU 29 1HD2 LEU 29 -1.859 4.377 -8.453 156 2HD2 LEU 29 2HD2 LEU 29 -0.763 5.375 -7.496 157 3HD2 LEU 29 3HD2 LEU 29 -2.285 4.819 -6.800 158 H GLU 30 H GLU 30 -3.665 4.027 -4.169 159 HA GLU 30 HA GLU 30 -5.858 4.683 -6.014 160 1HB GLU 30 2HB GLU 30 -5.820 4.078 -3.181 161 2HB GLU 30 1HB GLU 30 -6.544 5.652 -3.486 162 1HG GLU 30 2HG GLU 30 -7.371 3.105 -4.855 163 2HG GLU 30 1HG GLU 30 -8.165 3.785 -3.435 164 H ASP 31 H ASP 31 -6.600 6.874 -5.979 165 HA ASP 31 HA ASP 31 -6.290 9.092 -6.264 166 1HB ASP 31 2HB ASP 31 -5.872 8.754 -3.681 167 2HB ASP 31 1HB ASP 31 -4.223 9.197 -4.113 168 H ASP 32 H ASP 32 -5.008 7.629 -8.025 169 HA ASP 32 HA ASP 32 -2.184 7.994 -8.088 170 1HB ASP 32 2HB ASP 32 -3.406 6.102 -9.192 171 2HB ASP 32 1HB ASP 32 -4.003 7.250 -10.385 172 H GLN 33 H GLN 33 -1.666 10.116 -8.004 173 HA GLN 33 HA GLN 33 -2.453 11.762 -10.318 174 1HB GLN 33 2HB GLN 33 -1.552 12.535 -7.539 175 2HB GLN 33 1HB GLN 33 -1.659 13.684 -8.864 176 1HG GLN 33 2HG GLN 33 -4.050 13.230 -9.068 177 2HG GLN 33 1HG GLN 33 -3.940 12.074 -7.744 178 1HE2 GLN 33 1HE2 GLN 33 -3.827 12.796 -5.654 179 2HE2 GLN 33 2HE2 GLN 33 -4.035 14.463 -5.222 180 H GLY 34 H GLY 34 -0.345 9.667 -10.049 181 1HA GLY 34 2HA GLY 34 1.699 9.396 -11.090 182 2HA GLY 34 1HA GLY 34 1.735 11.126 -11.398 183 H SER 35 H SER 35 2.363 12.532 -9.641 184 HA SER 35 HA SER 35 4.557 11.407 -8.137 185 1HB SER 35 2HB SER 35 3.510 14.245 -8.244 186 2HB SER 35 1HB SER 35 5.044 13.734 -7.540 187 HG SER 35 HG SER 35 4.382 13.187 -10.244 188 H HIS 36 H HIS 36 1.264 12.121 -7.585 189 HA HIS 36 HA HIS 36 1.683 11.617 -4.716 190 1HB HIS 36 2HB HIS 36 -0.445 13.283 -6.055 191 2HB HIS 36 1HB HIS 36 -0.627 12.662 -4.417 192 HD1 HIS 36 HD1 HIS 36 0.022 15.708 -5.818 193 HD2 HIS 36 HD2 HIS 36 2.131 13.423 -3.054 194 HE1 HIS 36 HE1 HIS 36 1.450 17.330 -4.540 195 HE2 HIS 36 HE2 HIS 36 2.554 15.957 -2.744 196 H PHE 37 H PHE 37 0.617 9.946 -3.823 197 HA PHE 37 HA PHE 37 -1.735 8.805 -4.872 198 1HB PHE 37 2HB PHE 37 -0.850 6.614 -5.570 199 2HB PHE 37 1HB PHE 37 -0.226 7.905 -6.587 200 HD1 PHE 37 HD1 PHE 37 0.588 5.242 -4.295 201 HD2 PHE 37 HD2 PHE 37 2.127 8.672 -6.293 202 HE1 PHE 37 HE1 PHE 37 2.881 4.476 -3.849 203 HE2 PHE 37 HE2 PHE 37 4.423 7.910 -5.848 204 HZ PHE 37 HZ PHE 37 4.804 5.811 -4.624 205 H ARG 38 H ARG 38 -2.511 7.053 -3.558 206 HA ARG 38 HA ARG 38 -0.925 6.597 -1.107 207 1HB ARG 38 2HB ARG 38 -2.989 6.605 0.220 208 2HB ARG 38 1HB ARG 38 -2.735 8.158 -0.566 209 1HG ARG 38 2HG ARG 38 -4.385 7.601 -2.252 210 2HG ARG 38 1HG ARG 38 -4.600 6.001 -1.539 211 1HD ARG 38 2HD ARG 38 -5.433 7.003 0.510 212 2HD ARG 38 1HD ARG 38 -5.152 8.614 -0.138 213 HE ARG 38 HE ARG 38 -7.067 6.751 -1.387 214 1HH1 ARG 38 1HH1 ARG 38 -6.252 9.865 -0.047 215 2HH1 ARG 38 2HH1 ARG 38 -7.758 10.610 -0.487 216 1HH2 ARG 38 1HH2 ARG 38 -9.062 7.701 -1.972 217 2HH2 ARG 38 2HH2 ARG 38 -9.363 9.374 -1.586 218 H LEU 39 H LEU 39 -1.280 4.552 -0.079 219 HA LEU 39 HA LEU 39 -2.396 2.566 -1.941 220 1HB LEU 39 2HB LEU 39 -0.297 2.147 0.181 221 2HB LEU 39 1HB LEU 39 -0.929 0.916 -0.877 222 HG LEU 39 HG LEU 39 0.643 3.313 -1.767 223 1HD1 LEU 39 1HD1 LEU 39 2.009 1.731 -0.546 224 2HD1 LEU 39 2HD1 LEU 39 2.390 1.668 -2.266 225 3HD1 LEU 39 3HD1 LEU 39 1.396 0.406 -1.536 226 1HD2 LEU 39 1HD2 LEU 39 -0.948 2.609 -3.461 227 2HD2 LEU 39 2HD2 LEU 39 -0.398 0.938 -3.306 228 3HD2 LEU 39 3HD2 LEU 39 0.692 2.171 -3.942 229 H VAL 40 H VAL 40 -4.006 1.376 -1.319 230 HA VAL 40 HA VAL 40 -4.849 1.475 1.490 231 HB VAL 40 HB VAL 40 -6.500 0.707 -0.921 232 1HG1 VAL 40 1HG1 VAL 40 -7.282 1.315 1.923 233 2HG1 VAL 40 2HG1 VAL 40 -7.326 -0.262 1.136 234 3HG1 VAL 40 3HG1 VAL 40 -8.407 1.023 0.598 235 1HG2 VAL 40 1HG2 VAL 40 -5.829 3.049 -1.075 236 2HG2 VAL 40 2HG2 VAL 40 -6.425 3.336 0.559 237 3HG2 VAL 40 3HG2 VAL 40 -7.551 2.908 -0.728 238 H VAL 41 H VAL 41 -4.045 -0.239 2.541 239 HA VAL 41 HA VAL 41 -3.948 -2.868 1.305 240 HB VAL 41 HB VAL 41 -3.554 -2.292 4.240 241 1HG1 VAL 41 1HG1 VAL 41 -2.508 -4.453 2.421 242 2HG1 VAL 41 2HG1 VAL 41 -3.817 -4.618 3.592 243 3HG1 VAL 41 3HG1 VAL 41 -2.172 -4.305 4.146 244 1HG2 VAL 41 1HG2 VAL 41 -2.038 -0.804 3.038 245 2HG2 VAL 41 2HG2 VAL 41 -1.430 -2.171 2.103 246 3HG2 VAL 41 3HG2 VAL 41 -1.150 -2.100 3.848 247 H ARG 42 H ARG 42 -5.686 -4.121 1.232 248 HA ARG 42 HA ARG 42 -7.828 -3.662 3.205 249 1HB ARG 42 2HB ARG 42 -8.203 -4.957 0.511 250 2HB ARG 42 1HB ARG 42 -9.421 -4.235 1.553 251 1HG ARG 42 2HG ARG 42 -8.549 -2.026 1.112 252 2HG ARG 42 1HG ARG 42 -7.246 -2.707 0.141 253 1HD ARG 42 2HD ARG 42 -8.841 -1.964 -1.415 254 2HD ARG 42 1HD ARG 42 -9.081 -3.709 -1.319 255 HE ARG 42 HE ARG 42 -10.873 -2.892 0.453 256 1HH1 ARG 42 1HH1 ARG 42 -10.144 -1.630 -2.726 257 2HH1 ARG 42 2HH1 ARG 42 -11.752 -1.040 -3.008 258 1HH2 ARG 42 1HH2 ARG 42 -12.985 -2.121 0.105 259 2HH2 ARG 42 2HH2 ARG 42 -13.372 -1.304 -1.380 260 H ASP 43 H ASP 43 -9.034 -5.589 3.870 261 HA ASP 43 HA ASP 43 -7.267 -7.903 4.083 262 1HB ASP 43 2HB ASP 43 -8.610 -8.675 5.847 263 2HB ASP 43 1HB ASP 43 -8.631 -6.933 6.049 264 H THR 44 H THR 44 -9.088 -9.970 4.269 265 HA THR 44 HA THR 44 -9.460 -10.530 1.493 266 HB THR 44 HB THR 44 -8.816 -12.300 3.060 267 HG1 THR 44 HG1 THR 44 -11.269 -12.589 1.655 268 1HG2 THR 44 1HG2 THR 44 -11.588 -11.968 4.206 269 2HG2 THR 44 2HG2 THR 44 -10.068 -11.599 5.023 270 3HG2 THR 44 3HG2 THR 44 -10.462 -13.266 4.603 271 H GLU 45 H GLU 45 -11.399 -9.023 3.841 272 HA GLU 45 HA GLU 45 -13.901 -9.591 2.447 273 1HB GLU 45 2HB GLU 45 -13.638 -9.455 4.991 274 2HB GLU 45 1HB GLU 45 -13.471 -7.720 4.773 275 1HG GLU 45 2HG GLU 45 -15.704 -7.663 3.742 276 2HG GLU 45 1HG GLU 45 -15.866 -9.394 4.046 277 H GLY 46 H GLY 46 -11.356 -7.344 2.470 278 1HA GLY 46 2HA GLY 46 -11.062 -5.759 0.751 279 2HA GLY 46 1HA GLY 46 -12.800 -5.712 0.534 280 H ARG 47 H ARG 47 -11.880 -5.544 3.795 281 HA ARG 47 HA ARG 47 -12.746 -2.803 3.956 282 1HB ARG 47 2HB ARG 47 -11.863 -4.861 5.972 283 2HB ARG 47 1HB ARG 47 -12.182 -3.197 6.431 284 1HG ARG 47 2HG ARG 47 -14.458 -3.363 5.898 285 2HG ARG 47 1HG ARG 47 -14.213 -4.839 4.963 286 1HD ARG 47 2HD ARG 47 -15.286 -5.191 7.179 287 2HD ARG 47 1HD ARG 47 -13.804 -6.106 6.936 288 HE ARG 47 HE ARG 47 -12.775 -4.125 8.242 289 1HH1 ARG 47 1HH1 ARG 47 -15.945 -5.486 8.761 290 2HH1 ARG 47 2HH1 ARG 47 -15.951 -5.174 10.469 291 1HH2 ARG 47 1HH2 ARG 47 -12.749 -3.728 10.509 292 2HH2 ARG 47 2HH2 ARG 47 -14.137 -4.162 11.462 293 H MET 48 H MET 48 -11.497 -1.056 3.972 294 HA MET 48 HA MET 48 -8.696 -1.282 3.530 295 1HB MET 48 2HB MET 48 -8.851 1.309 3.915 296 2HB MET 48 1HB MET 48 -9.487 0.575 2.457 297 1HG MET 48 2HG MET 48 -11.207 1.158 4.849 298 2HG MET 48 1HG MET 48 -10.908 2.343 3.579 299 1HE MET 48 1HE MET 48 -13.836 1.606 4.296 300 2HE MET 48 2HE MET 48 -14.551 1.310 2.712 301 3HE MET 48 3HE MET 48 -13.427 2.651 2.932 302 H VAL 49 H VAL 49 -7.479 -2.011 5.094 303 HA VAL 49 HA VAL 49 -7.913 -1.236 7.855 304 HB VAL 49 HB VAL 49 -5.748 -2.981 6.663 305 1HG1 VAL 49 1HG1 VAL 49 -6.730 -2.716 9.504 306 2HG1 VAL 49 2HG1 VAL 49 -5.198 -2.107 8.879 307 3HG1 VAL 49 3HG1 VAL 49 -5.500 -3.844 8.938 308 1HG2 VAL 49 1HG2 VAL 49 -8.407 -3.754 7.855 309 2HG2 VAL 49 2HG2 VAL 49 -7.126 -4.878 7.401 310 3HG2 VAL 49 3HG2 VAL 49 -7.927 -3.909 6.163 311 H TRP 50 H TRP 50 -5.557 -0.760 5.288 312 HA TRP 50 HA TRP 50 -4.369 1.468 6.789 313 1HB TRP 50 2HB TRP 50 -2.943 -0.613 6.998 314 2HB TRP 50 1HB TRP 50 -2.735 -0.559 5.254 315 HD1 TRP 50 HD1 TRP 50 -1.272 0.772 8.409 316 HE1 TRP 50 HE1 TRP 50 0.617 2.433 7.886 317 HE3 TRP 50 HE3 TRP 50 -2.139 1.411 3.441 318 HZ2 TRP 50 HZ2 TRP 50 1.607 3.840 5.648 319 HZ3 TRP 50 HZ3 TRP 50 -0.711 2.927 2.191 320 HH2 TRP 50 HH2 TRP 50 1.138 4.124 3.250 321 H ARG 51 H ARG 51 -5.071 3.106 5.580 322 HA ARG 51 HA ARG 51 -4.151 3.077 2.796 323 1HB ARG 51 2HB ARG 51 -6.113 4.436 2.128 324 2HB ARG 51 1HB ARG 51 -6.548 2.818 2.655 325 1HG ARG 51 2HG ARG 51 -7.336 3.624 4.755 326 2HG ARG 51 1HG ARG 51 -6.730 5.245 4.420 327 1HD ARG 51 2HD ARG 51 -8.352 5.623 2.754 328 2HD ARG 51 1HD ARG 51 -8.770 3.910 2.665 329 HE ARG 51 HE ARG 51 -9.303 4.703 5.262 330 1HH1 ARG 51 1HH1 ARG 51 -10.425 5.617 2.060 331 2HH1 ARG 51 2HH1 ARG 51 -12.044 5.976 2.598 332 1HH2 ARG 51 1HH2 ARG 51 -11.411 5.179 5.968 333 2HH2 ARG 51 2HH2 ARG 51 -12.610 5.700 4.820 334 H ALA 52 H ALA 52 -2.541 4.421 2.749 335 HA ALA 52 HA ALA 52 -2.837 7.103 3.816 336 1HB ALA 52 1HB ALA 52 -0.579 5.308 4.719 337 2HB ALA 52 2HB ALA 52 -1.937 5.832 5.715 338 3HB ALA 52 3HB ALA 52 -0.776 7.018 5.113 339 H TRP 53 H TRP 53 -0.849 8.421 3.214 340 HA TRP 53 HA TRP 53 -0.421 7.945 0.403 341 1HB TRP 53 2HB TRP 53 0.507 10.260 2.109 342 2HB TRP 53 1HB TRP 53 0.384 10.211 0.369 343 HD1 TRP 53 HD1 TRP 53 -1.798 10.297 3.439 344 HE1 TRP 53 HE1 TRP 53 -4.071 11.269 2.783 345 HE3 TRP 53 HE3 TRP 53 -1.108 10.609 -1.594 346 HZ2 TRP 53 HZ2 TRP 53 -5.423 12.082 0.429 347 HZ3 TRP 53 HZ3 TRP 53 -2.934 11.496 -2.988 348 HH2 TRP 53 HH2 TRP 53 -5.046 12.215 -1.993 349 H ASN 54 H ASN 54 1.961 9.335 0.115 350 HA ASN 54 HA ASN 54 3.840 7.233 0.949 351 1HB ASN 54 2HB ASN 54 3.463 7.551 -1.496 352 2HB ASN 54 1HB ASN 54 4.093 9.189 -1.347 353 1HD2 ASN 54 1HD2 ASN 54 5.819 8.810 -2.723 354 2HD2 ASN 54 2HD2 ASN 54 7.158 7.809 -2.274 355 H PHE 55 H PHE 55 3.113 10.569 1.281 356 HA PHE 55 HA PHE 55 5.817 11.326 1.950 357 1HB PHE 55 2HB PHE 55 4.772 13.557 2.503 358 2HB PHE 55 1HB PHE 55 4.615 13.031 0.835 359 HD1 PHE 55 HD1 PHE 55 2.514 12.947 -0.187 360 HD2 PHE 55 HD2 PHE 55 2.775 13.219 4.058 361 HE1 PHE 55 HE1 PHE 55 0.092 13.344 -0.062 362 HE2 PHE 55 HE2 PHE 55 0.351 13.613 4.183 363 HZ PHE 55 HZ PHE 55 -0.993 13.677 2.122 364 H GLU 56 H GLU 56 3.981 9.404 3.524 365 HA GLU 56 HA GLU 56 4.014 10.561 6.163 366 1HB GLU 56 2HB GLU 56 3.558 7.706 5.265 367 2HB GLU 56 1HB GLU 56 3.315 8.307 6.898 368 1HG GLU 56 2HG GLU 56 1.812 9.282 4.477 369 2HG GLU 56 1HG GLU 56 1.223 8.064 5.606 370 HA PRO 57 HA PRO 57 8.289 10.258 6.968 371 1HB PRO 57 2HB PRO 57 7.354 9.312 9.648 372 2HB PRO 57 1HB PRO 57 8.547 10.553 9.247 373 1HG PRO 57 2HG PRO 57 6.098 11.247 9.996 374 2HG PRO 57 1HG PRO 57 6.922 12.121 8.691 375 1HD PRO 57 2HD PRO 57 4.701 10.146 8.546 376 2HD PRO 57 1HD PRO 57 5.044 11.542 7.503 377 H ASP 58 H ASP 58 6.339 7.531 8.153 378 HA ASP 58 HA ASP 58 8.359 5.717 7.068 379 1HB ASP 58 2HB ASP 58 8.620 6.130 9.630 380 2HB ASP 58 1HB ASP 58 7.183 5.124 9.770 381 H ALA 59 H ALA 59 6.283 6.104 5.624 382 HA ALA 59 HA ALA 59 3.848 4.900 6.230 383 1HB ALA 59 1HB ALA 59 5.208 5.081 3.544 384 2HB ALA 59 2HB ALA 59 4.202 6.327 4.279 385 3HB ALA 59 3HB ALA 59 3.492 4.781 3.813 386 H GLY 60 H GLY 60 6.849 3.490 5.105 387 1HA GLY 60 2HA GLY 60 5.881 0.992 4.276 388 2HA GLY 60 1HA GLY 60 7.528 1.335 4.776 389 H GLU 61 H GLU 61 6.842 2.124 7.485 390 HA GLU 61 HA GLU 61 7.128 -0.402 8.666 391 1HB GLU 61 2HB GLU 61 7.842 1.835 9.609 392 2HB GLU 61 1HB GLU 61 6.166 2.104 10.057 393 1HG GLU 61 2HG GLU 61 7.556 -0.358 10.996 394 2HG GLU 61 1HG GLU 61 7.889 1.183 11.783 395 H GLY 62 H GLY 62 4.312 1.777 8.621 396 1HA GLY 62 2HA GLY 62 2.534 0.094 9.989 397 2HA GLY 62 1HA GLY 62 2.065 1.340 8.840 398 H LEU 63 H LEU 63 3.206 0.380 6.527 399 HA LEU 63 HA LEU 63 1.357 -1.502 5.586 400 1HB LEU 63 2HB LEU 63 4.032 -0.584 4.555 401 2HB LEU 63 1HB LEU 63 3.050 -1.745 3.680 402 HG LEU 63 HG LEU 63 1.858 0.886 4.474 403 1HD1 LEU 63 1HD1 LEU 63 3.982 1.444 3.401 404 2HD1 LEU 63 2HD1 LEU 63 2.613 1.846 2.364 405 3HD1 LEU 63 3HD1 LEU 63 3.574 0.401 2.038 406 1HD2 LEU 63 1HD2 LEU 63 1.465 -0.982 2.137 407 2HD2 LEU 63 2HD2 LEU 63 0.563 0.506 2.435 408 3HD2 LEU 63 3HD2 LEU 63 0.420 -0.853 3.551 409 H ASN 64 H ASN 64 4.759 -1.930 6.566 410 HA ASN 64 HA ASN 64 4.842 -4.703 5.982 411 1HB ASN 64 2HB ASN 64 6.536 -2.979 7.787 412 2HB ASN 64 1HB ASN 64 6.814 -4.705 7.611 413 1HD2 ASN 64 1HD2 ASN 64 5.811 -2.489 5.066 414 2HD2 ASN 64 2HD2 ASN 64 7.257 -2.623 4.138 415 H ARG 65 H ARG 65 3.914 -2.862 8.802 416 HA ARG 65 HA ARG 65 3.867 -4.977 10.646 417 1HB ARG 65 2HB ARG 65 3.780 -2.530 11.198 418 2HB ARG 65 1HB ARG 65 2.097 -2.532 10.689 419 1HG ARG 65 2HG ARG 65 1.566 -4.170 12.410 420 2HG ARG 65 1HG ARG 65 3.255 -4.188 12.918 421 1HD ARG 65 2HD ARG 65 1.428 -1.791 12.977 422 2HD ARG 65 1HD ARG 65 1.857 -2.781 14.369 423 HE ARG 65 HE ARG 65 3.877 -1.251 12.828 424 1HH1 ARG 65 1HH1 ARG 65 2.515 -2.357 15.869 425 2HH1 ARG 65 2HH1 ARG 65 3.597 -1.407 16.839 426 1HH2 ARG 65 1HH2 ARG 65 5.291 0.004 14.117 427 2HH2 ARG 65 2HH2 ARG 65 5.176 -0.073 15.853 428 H TYR 66 H TYR 66 1.468 -3.878 8.262 429 HA TYR 66 HA TYR 66 -0.484 -5.760 9.275 430 1HB TYR 66 2HB TYR 66 -1.261 -3.693 8.202 431 2HB TYR 66 1HB TYR 66 -0.476 -4.170 6.696 432 HD1 TYR 66 HD1 TYR 66 -1.429 -5.905 5.297 433 HD2 TYR 66 HD2 TYR 66 -3.293 -4.802 8.951 434 HE1 TYR 66 HE1 TYR 66 -3.446 -7.149 4.630 435 HE2 TYR 66 HE2 TYR 66 -5.319 -6.031 8.295 436 HH TYR 66 HH TYR 66 -5.378 -8.206 5.682 437 H ILE 67 H ILE 67 1.676 -5.519 6.479 438 HA ILE 67 HA ILE 67 0.887 -7.805 5.109 439 HB ILE 67 HB ILE 67 3.618 -6.535 5.305 440 1HG1 ILE 67 2HG1 ILE 67 1.502 -6.387 3.145 441 2HG1 ILE 67 1HG1 ILE 67 1.790 -5.143 4.356 442 1HG2 ILE 67 1HG2 ILE 67 2.647 -8.628 3.365 443 2HG2 ILE 67 2HG2 ILE 67 3.867 -8.848 4.619 444 3HG2 ILE 67 3HG2 ILE 67 4.183 -7.765 3.262 445 1HD1 ILE 67 1HD1 ILE 67 4.027 -4.785 3.470 446 2HD1 ILE 67 2HD1 ILE 67 2.803 -4.571 2.221 447 3HD1 ILE 67 3HD1 ILE 67 3.760 -6.050 2.271 448 H ARG 68 H ARG 68 3.222 -7.460 7.743 449 HA ARG 68 HA ARG 68 4.319 -10.012 7.729 450 1HB ARG 68 2HB ARG 68 5.186 -8.162 9.071 451 2HB ARG 68 1HB ARG 68 3.756 -8.212 10.092 452 1HG ARG 68 2HG ARG 68 4.380 -10.461 10.838 453 2HG ARG 68 1HG ARG 68 5.821 -10.389 9.822 454 1HD ARG 68 2HD ARG 68 6.384 -9.848 12.120 455 2HD ARG 68 1HD ARG 68 6.607 -8.441 11.083 456 HE ARG 68 HE ARG 68 4.051 -8.618 12.451 457 1HH1 ARG 68 1HH1 ARG 68 7.308 -7.306 12.459 458 2HH1 ARG 68 2HH1 ARG 68 6.921 -6.032 13.579 459 1HH2 ARG 68 1HH2 ARG 68 3.543 -6.914 13.890 460 2HH2 ARG 68 2HH2 ARG 68 4.794 -5.802 14.374 461 H THR 69 H THR 69 1.255 -8.903 9.059 462 HA THR 69 HA THR 69 0.843 -11.549 10.252 463 HB THR 69 HB THR 69 0.717 -9.642 11.822 464 HG1 THR 69 HG1 THR 69 -0.655 -11.586 12.051 465 1HG2 THR 69 1HG2 THR 69 -1.162 -8.072 11.710 466 2HG2 THR 69 2HG2 THR 69 -1.666 -8.780 10.176 467 3HG2 THR 69 3HG2 THR 69 -0.123 -7.934 10.292 468 H SER 70 H SER 70 0.432 -10.788 7.393 469 HA SER 70 HA SER 70 -2.163 -12.069 7.189 470 1HB SER 70 2HB SER 70 -1.615 -9.419 5.833 471 2HB SER 70 1HB SER 70 -3.029 -10.435 5.545 472 HG SER 70 HG SER 70 -2.741 -10.056 8.176 473 H GLY 71 H GLY 71 0.415 -10.550 5.307 474 1HA GLY 71 2HA GLY 71 1.261 -11.045 3.211 475 2HA GLY 71 1HA GLY 71 1.400 -12.650 3.907 476 H ILE 72 H ILE 72 -0.787 -10.520 2.052 477 HA ILE 72 HA ILE 72 -2.616 -12.701 1.564 478 HB ILE 72 HB ILE 72 -2.615 -9.883 0.461 479 1HG1 ILE 72 2HG1 ILE 72 -2.745 -9.945 2.907 480 2HG1 ILE 72 1HG1 ILE 72 -4.279 -9.436 2.211 481 1HG2 ILE 72 1HG2 ILE 72 -3.976 -11.362 -0.915 482 2HG2 ILE 72 2HG2 ILE 72 -5.005 -10.278 0.022 483 3HG2 ILE 72 3HG2 ILE 72 -4.808 -11.956 0.522 484 1HD1 ILE 72 1HD1 ILE 72 -4.624 -10.959 4.062 485 2HD1 ILE 72 2HD1 ILE 72 -3.636 -12.182 3.263 486 3HD1 ILE 72 3HD1 ILE 72 -5.173 -11.685 2.553 487 H ARG 73 H ARG 73 0.309 -12.238 0.390 488 HA ARG 73 HA ARG 73 0.011 -12.390 -2.436 489 1HB ARG 73 2HB ARG 73 2.336 -12.868 -2.511 490 2HB ARG 73 1HB ARG 73 2.095 -11.744 -1.184 491 1HG ARG 73 2HG ARG 73 2.114 -13.653 0.384 492 2HG ARG 73 1HG ARG 73 2.495 -14.713 -0.970 493 1HD ARG 73 2HD ARG 73 4.168 -12.393 -0.020 494 2HD ARG 73 1HD ARG 73 4.509 -14.097 0.273 495 HE ARG 73 HE ARG 73 4.279 -13.308 -2.511 496 1HH1 ARG 73 1HH1 ARG 73 6.385 -13.992 0.199 497 2HH1 ARG 73 2HH1 ARG 73 7.816 -14.112 -0.784 498 1HH2 ARG 73 1HH2 ARG 73 6.163 -13.491 -3.805 499 2HH2 ARG 73 2HH2 ARG 73 7.688 -13.851 -3.055 500 H THR 74 H THR 74 -0.833 -14.549 -0.094 501 HA THR 74 HA THR 74 -0.126 -17.011 -1.342 502 HB THR 74 HB THR 74 -0.639 -16.967 1.034 503 HG1 THR 74 HG1 THR 74 -2.304 -18.458 -0.679 504 1HG2 THR 74 1HG2 THR 74 -2.252 -15.114 1.023 505 2HG2 THR 74 2HG2 THR 74 -2.892 -16.520 1.874 506 3HG2 THR 74 3HG2 THR 74 -3.439 -16.156 0.237 507 H ASP 75 H ASP 75 -1.795 -14.665 -2.647 508 HA ASP 75 HA ASP 75 -4.043 -16.303 -3.537 509 1HB ASP 75 2HB ASP 75 -5.312 -14.497 -3.504 510 2HB ASP 75 1HB ASP 75 -3.992 -13.665 -2.702 Start of MODEL 17 1 H GLY 10 H GLY 10 11.049 1.894 6.181 2 1HA GLY 10 2HA GLY 10 9.474 3.458 6.783 3 2HA GLY 10 1HA GLY 10 10.615 4.706 6.307 4 HA PRO 11 HA PRO 11 7.645 5.576 3.089 5 1HB PRO 11 2HB PRO 11 9.784 7.219 1.924 6 2HB PRO 11 1HB PRO 11 8.191 7.702 2.512 7 1HG PRO 11 2HG PRO 11 10.442 8.335 3.836 8 2HG PRO 11 1HG PRO 11 8.925 7.973 4.681 9 1HD PRO 11 2HD PRO 11 11.326 6.234 4.262 10 2HD PRO 11 1HD PRO 11 10.311 6.426 5.709 11 H PHE 12 H PHE 12 7.643 5.635 0.676 12 HA PHE 12 HA PHE 12 9.646 3.847 -0.503 13 1HB PHE 12 2HB PHE 12 7.788 2.608 -1.654 14 2HB PHE 12 1HB PHE 12 7.871 2.353 0.082 15 HD1 PHE 12 HD1 PHE 12 6.326 3.986 1.492 16 HD2 PHE 12 HD2 PHE 12 5.727 3.003 -2.605 17 HE1 PHE 12 HE1 PHE 12 3.944 4.572 1.699 18 HE2 PHE 12 HE2 PHE 12 3.349 3.594 -2.396 19 HZ PHE 12 HZ PHE 12 2.461 4.382 -0.247 20 H THR 13 H THR 13 8.793 3.573 -2.978 21 HA THR 13 HA THR 13 8.246 6.275 -4.002 22 HB THR 13 HB THR 13 9.665 5.874 -5.890 23 HG1 THR 13 HG1 THR 13 10.757 3.832 -6.117 24 1HG2 THR 13 1HG2 THR 13 11.076 4.870 -3.420 25 2HG2 THR 13 2HG2 THR 13 10.834 6.564 -3.848 26 3HG2 THR 13 3HG2 THR 13 11.854 5.537 -4.856 27 H ARG 14 H ARG 14 7.514 5.982 -6.458 28 HA ARG 14 HA ARG 14 5.083 4.545 -6.456 29 1HB ARG 14 2HB ARG 14 5.746 6.513 -7.943 30 2HB ARG 14 1HB ARG 14 6.610 5.352 -8.931 31 1HG ARG 14 2HG ARG 14 4.526 4.115 -9.292 32 2HG ARG 14 1HG ARG 14 3.662 5.320 -8.336 33 1HD ARG 14 2HD ARG 14 4.263 7.050 -9.933 34 2HD ARG 14 1HD ARG 14 5.188 5.880 -10.877 35 HE ARG 14 HE ARG 14 2.258 5.786 -10.516 36 1HH1 ARG 14 1HH1 ARG 14 5.145 5.280 -12.435 37 2HH1 ARG 14 2HH1 ARG 14 4.273 4.684 -13.816 38 1HH2 ARG 14 1HH2 ARG 14 1.113 4.978 -12.330 39 2HH2 ARG 14 2HH2 ARG 14 1.991 4.476 -13.744 40 H ARG 15 H ARG 15 8.213 3.931 -7.937 41 HA ARG 15 HA ARG 15 7.699 1.496 -9.165 42 1HB ARG 15 2HB ARG 15 10.274 2.421 -7.880 43 2HB ARG 15 1HB ARG 15 10.120 1.129 -9.051 44 1HG ARG 15 2HG ARG 15 9.320 2.729 -10.719 45 2HG ARG 15 1HG ARG 15 9.515 4.030 -9.542 46 1HD ARG 15 2HD ARG 15 11.436 4.023 -10.961 47 2HD ARG 15 1HD ARG 15 11.926 3.424 -9.377 48 HE ARG 15 HE ARG 15 11.229 1.444 -11.410 49 1HH1 ARG 15 1HH1 ARG 15 13.721 3.125 -9.619 50 2HH1 ARG 15 2HH1 ARG 15 14.973 2.005 -10.052 51 1HH2 ARG 15 1HH2 ARG 15 12.853 -0.010 -12.005 52 2HH2 ARG 15 2HH2 ARG 15 14.489 0.230 -11.454 53 H GLN 16 H GLN 16 8.933 2.120 -5.873 54 HA GLN 16 HA GLN 16 9.131 -0.573 -5.082 55 1HB GLN 16 2HB GLN 16 8.549 1.866 -3.390 56 2HB GLN 16 1HB GLN 16 9.005 0.293 -2.759 57 1HG GLN 16 2HG GLN 16 10.694 2.088 -4.491 58 2HG GLN 16 1HG GLN 16 10.899 1.790 -2.766 59 1HE2 GLN 16 1HE2 GLN 16 12.785 1.364 -4.926 60 2HE2 GLN 16 2HE2 GLN 16 13.192 -0.317 -4.894 61 H ALA 17 H ALA 17 6.521 1.789 -4.715 62 HA ALA 17 HA ALA 17 4.632 0.254 -3.406 63 1HB ALA 17 1HB ALA 17 4.120 2.237 -5.619 64 2HB ALA 17 2HB ALA 17 4.343 2.631 -3.914 65 3HB ALA 17 3HB ALA 17 2.944 1.685 -4.425 66 H GLN 18 H GLN 18 5.223 0.437 -6.910 67 HA GLN 18 HA GLN 18 3.149 -1.156 -7.802 68 1HB GLN 18 2HB GLN 18 5.939 -0.890 -8.923 69 2HB GLN 18 1HB GLN 18 4.576 -1.579 -9.779 70 1HG GLN 18 2HG GLN 18 4.837 1.263 -8.831 71 2HG GLN 18 1HG GLN 18 4.966 0.697 -10.493 72 1HE2 GLN 18 1HE2 GLN 18 2.790 -1.196 -10.245 73 2HE2 GLN 18 2HE2 GLN 18 1.326 -0.272 -10.192 74 H ALA 19 H ALA 19 6.420 -2.133 -6.826 75 HA ALA 19 HA ALA 19 6.188 -4.832 -7.576 76 1HB ALA 19 1HB ALA 19 7.957 -3.630 -5.453 77 2HB ALA 19 2HB ALA 19 8.323 -3.717 -7.177 78 3HB ALA 19 3HB ALA 19 8.175 -5.197 -6.232 79 H VAL 20 H VAL 20 4.949 -3.174 -4.778 80 HA VAL 20 HA VAL 20 4.983 -5.611 -3.158 81 HB VAL 20 HB VAL 20 3.779 -2.953 -2.373 82 1HG1 VAL 20 1HG1 VAL 20 4.238 -3.751 -0.091 83 2HG1 VAL 20 2HG1 VAL 20 4.872 -5.256 -0.754 84 3HG1 VAL 20 3HG1 VAL 20 3.171 -4.845 -0.974 85 1HG2 VAL 20 1HG2 VAL 20 5.895 -2.386 -1.281 86 2HG2 VAL 20 2HG2 VAL 20 6.103 -2.552 -3.027 87 3HG2 VAL 20 3HG2 VAL 20 6.634 -3.841 -1.950 88 H THR 21 H THR 21 3.069 -3.645 -5.124 89 HA THR 21 HA THR 21 0.530 -4.670 -4.219 90 HB THR 21 HB THR 21 1.126 -2.917 -6.600 91 HG1 THR 21 HG1 THR 21 1.922 -1.783 -4.867 92 1HG2 THR 21 1HG2 THR 21 -1.153 -2.176 -6.252 93 2HG2 THR 21 2HG2 THR 21 -1.303 -3.281 -4.884 94 3HG2 THR 21 3HG2 THR 21 -1.085 -3.919 -6.512 95 H THR 22 H THR 22 2.753 -5.117 -6.945 96 HA THR 22 HA THR 22 1.036 -6.874 -8.371 97 HB THR 22 HB THR 22 3.207 -7.724 -9.399 98 HG1 THR 22 HG1 THR 22 5.075 -6.934 -8.712 99 1HG2 THR 22 1HG2 THR 22 3.592 -5.655 -10.666 100 2HG2 THR 22 2HG2 THR 22 2.673 -4.750 -9.464 101 3HG2 THR 22 3HG2 THR 22 1.869 -5.972 -10.453 102 H THR 23 H THR 23 3.275 -7.233 -5.699 103 HA THR 23 HA THR 23 2.949 -10.073 -5.536 104 HB THR 23 HB THR 23 3.805 -8.210 -3.319 105 HG1 THR 23 HG1 THR 23 5.253 -7.823 -4.936 106 1HG2 THR 23 1HG2 THR 23 3.273 -10.494 -2.610 107 2HG2 THR 23 2HG2 THR 23 5.008 -10.197 -2.512 108 3HG2 THR 23 3HG2 THR 23 4.350 -11.135 -3.850 109 H TYR 24 H TYR 24 1.625 -7.364 -3.520 110 HA TYR 24 HA TYR 24 -0.455 -9.235 -2.605 111 1HB TYR 24 2HB TYR 24 0.383 -6.545 -1.482 112 2HB TYR 24 1HB TYR 24 -0.809 -7.623 -0.779 113 HD1 TYR 24 HD1 TYR 24 2.784 -7.223 -1.545 114 HD2 TYR 24 HD2 TYR 24 -0.137 -9.411 0.642 115 HE1 TYR 24 HE1 TYR 24 4.572 -8.295 -0.253 116 HE2 TYR 24 HE2 TYR 24 1.650 -10.490 1.947 117 HH TYR 24 HH TYR 24 4.928 -9.423 1.810 118 H SER 25 H SER 25 -1.965 -9.078 -4.231 119 HA SER 25 HA SER 25 -2.744 -6.668 -5.464 120 1HB SER 25 2HB SER 25 -4.736 -8.127 -6.180 121 2HB SER 25 1HB SER 25 -3.128 -8.610 -6.713 122 HG SER 25 HG SER 25 -4.889 -9.943 -5.133 123 H ASN 26 H ASN 26 -3.224 -7.594 -2.348 124 HA ASN 26 HA ASN 26 -5.885 -6.509 -2.021 125 1HB ASN 26 2HB ASN 26 -5.608 -6.913 0.326 126 2HB ASN 26 1HB ASN 26 -4.937 -8.302 -0.522 127 1HD2 ASN 26 1HD2 ASN 26 -4.338 -5.728 1.623 128 2HD2 ASN 26 2HD2 ASN 26 -2.666 -6.062 1.913 129 H ILE 27 H ILE 27 -2.764 -5.325 -2.405 130 HA ILE 27 HA ILE 27 -3.258 -2.802 -1.057 131 HB ILE 27 HB ILE 27 -1.080 -3.162 -3.086 132 1HG1 ILE 27 2HG1 ILE 27 -1.097 -4.368 -0.323 133 2HG1 ILE 27 1HG1 ILE 27 -0.731 -5.145 -1.845 134 1HG2 ILE 27 1HG2 ILE 27 -1.262 -1.650 -0.484 135 2HG2 ILE 27 2HG2 ILE 27 -1.434 -0.968 -2.102 136 3HG2 ILE 27 3HG2 ILE 27 0.115 -1.633 -1.584 137 1HD1 ILE 27 1HD1 ILE 27 1.312 -3.849 -2.021 138 2HD1 ILE 27 2HD1 ILE 27 1.264 -4.792 -0.533 139 3HD1 ILE 27 3HD1 ILE 27 0.945 -3.057 -0.489 140 H THR 28 H THR 28 -3.906 -0.929 -2.112 141 HA THR 28 HA THR 28 -4.534 -1.232 -4.966 142 HB THR 28 HB THR 28 -6.651 0.183 -4.374 143 HG1 THR 28 HG1 THR 28 -5.960 -1.028 -1.889 144 1HG2 THR 28 1HG2 THR 28 -6.486 -2.759 -3.707 145 2HG2 THR 28 2HG2 THR 28 -6.703 -2.079 -5.318 146 3HG2 THR 28 3HG2 THR 28 -7.959 -1.871 -4.097 147 H LEU 29 H LEU 29 -3.850 0.389 -6.168 148 HA LEU 29 HA LEU 29 -2.806 2.767 -4.844 149 1HB LEU 29 2HB LEU 29 -1.595 1.377 -6.662 150 2HB LEU 29 1HB LEU 29 -2.679 2.165 -7.788 151 HG LEU 29 HG LEU 29 -0.841 3.708 -5.960 152 1HD1 LEU 29 1HD1 LEU 29 0.678 3.919 -7.844 153 2HD1 LEU 29 2HD1 LEU 29 -0.338 2.839 -8.799 154 3HD1 LEU 29 3HD1 LEU 29 0.494 2.232 -7.367 155 1HD2 LEU 29 1HD2 LEU 29 -1.187 5.502 -7.572 156 2HD2 LEU 29 2HD2 LEU 29 -2.725 4.959 -6.898 157 3HD2 LEU 29 3HD2 LEU 29 -2.248 4.461 -8.521 158 H GLU 30 H GLU 30 -4.289 4.282 -4.460 159 HA GLU 30 HA GLU 30 -6.109 4.980 -6.669 160 1HB GLU 30 2HB GLU 30 -6.688 5.009 -3.709 161 2HB GLU 30 1HB GLU 30 -7.719 5.767 -4.914 162 1HG GLU 30 2HG GLU 30 -7.802 3.445 -6.005 163 2HG GLU 30 1HG GLU 30 -7.169 2.859 -4.465 164 H ASP 31 H ASP 31 -6.966 7.228 -6.424 165 HA ASP 31 HA ASP 31 -6.589 9.446 -6.536 166 1HB ASP 31 2HB ASP 31 -6.043 8.839 -3.956 167 2HB ASP 31 1HB ASP 31 -4.507 9.546 -4.452 168 H ASP 32 H ASP 32 -5.564 8.722 -8.577 169 HA ASP 32 HA ASP 32 -2.692 8.630 -8.687 170 1HB ASP 32 2HB ASP 32 -4.830 8.532 -10.815 171 2HB ASP 32 1HB ASP 32 -3.114 8.415 -11.154 172 H GLN 33 H GLN 33 -1.818 10.613 -8.214 173 HA GLN 33 HA GLN 33 -2.494 12.781 -10.101 174 1HB GLN 33 2HB GLN 33 -2.750 13.193 -7.591 175 2HB GLN 33 1HB GLN 33 -0.996 13.113 -7.505 176 1HG GLN 33 2HG GLN 33 -0.936 14.962 -9.208 177 2HG GLN 33 1HG GLN 33 -2.678 15.114 -8.987 178 1HE2 GLN 33 1HE2 GLN 33 -0.601 17.058 -8.454 179 2HE2 GLN 33 2HE2 GLN 33 -0.730 17.455 -6.772 180 H GLY 34 H GLY 34 -0.499 10.329 -9.878 181 1HA GLY 34 2HA GLY 34 1.393 9.967 -11.224 182 2HA GLY 34 1HA GLY 34 1.651 11.707 -11.288 183 H SER 35 H SER 35 2.482 12.752 -9.356 184 HA SER 35 HA SER 35 4.514 11.104 -8.106 185 1HB SER 35 2HB SER 35 3.998 14.069 -7.795 186 2HB SER 35 1HB SER 35 5.461 13.198 -7.334 187 HG SER 35 HG SER 35 5.972 12.899 -9.438 188 H HIS 36 H HIS 36 1.432 12.402 -7.359 189 HA HIS 36 HA HIS 36 1.737 11.480 -4.581 190 1HB HIS 36 2HB HIS 36 -0.185 13.500 -5.752 191 2HB HIS 36 1HB HIS 36 -0.382 12.803 -4.149 192 HD1 HIS 36 HD1 HIS 36 0.392 15.869 -5.198 193 HD2 HIS 36 HD2 HIS 36 2.689 13.135 -3.067 194 HE1 HIS 36 HE1 HIS 36 2.110 17.232 -3.978 195 HE2 HIS 36 HE2 HIS 36 3.352 15.580 -2.539 196 H PHE 37 H PHE 37 0.582 9.776 -3.947 197 HA PHE 37 HA PHE 37 -1.917 9.045 -5.112 198 1HB PHE 37 2HB PHE 37 -1.225 6.854 -5.998 199 2HB PHE 37 1HB PHE 37 -0.427 8.159 -6.866 200 HD1 PHE 37 HD1 PHE 37 0.018 5.299 -4.663 201 HD2 PHE 37 HD2 PHE 37 1.961 8.577 -6.564 202 HE1 PHE 37 HE1 PHE 37 2.202 4.260 -4.220 203 HE2 PHE 37 HE2 PHE 37 4.147 7.542 -6.124 204 HZ PHE 37 HZ PHE 37 4.270 5.383 -4.950 205 H ARG 38 H ARG 38 -2.868 7.211 -3.891 206 HA ARG 38 HA ARG 38 -1.284 6.644 -1.465 207 1HB ARG 38 2HB ARG 38 -3.162 6.842 -0.049 208 2HB ARG 38 1HB ARG 38 -3.219 8.251 -1.100 209 1HG ARG 38 2HG ARG 38 -4.909 7.153 -2.477 210 2HG ARG 38 1HG ARG 38 -4.857 5.746 -1.413 211 1HD ARG 38 2HD ARG 38 -5.420 7.375 0.477 212 2HD ARG 38 1HD ARG 38 -5.829 8.521 -0.798 213 HE ARG 38 HE ARG 38 -7.339 6.206 0.016 214 1HH1 ARG 38 1HH1 ARG 38 -6.752 8.503 -2.562 215 2HH1 ARG 38 2HH1 ARG 38 -8.279 8.228 -3.340 216 1HH2 ARG 38 1HH2 ARG 38 -9.347 5.831 -1.005 217 2HH2 ARG 38 2HH2 ARG 38 -9.755 6.696 -2.456 218 H LEU 39 H LEU 39 -1.290 4.633 -0.655 219 HA LEU 39 HA LEU 39 -2.608 2.578 -2.291 220 1HB LEU 39 2HB LEU 39 -0.403 2.220 -0.269 221 2HB LEU 39 1HB LEU 39 -1.042 0.999 -1.336 222 HG LEU 39 HG LEU 39 0.429 3.445 -2.257 223 1HD1 LEU 39 1HD1 LEU 39 1.865 1.954 -0.974 224 2HD1 LEU 39 2HD1 LEU 39 2.279 1.899 -2.688 225 3HD1 LEU 39 3HD1 LEU 39 1.344 0.589 -1.961 226 1HD2 LEU 39 1HD2 LEU 39 -0.463 0.965 -3.716 227 2HD2 LEU 39 2HD2 LEU 39 0.542 2.244 -4.394 228 3HD2 LEU 39 3HD2 LEU 39 -1.121 2.588 -3.921 229 H VAL 40 H VAL 40 -4.142 1.383 -1.453 230 HA VAL 40 HA VAL 40 -4.638 1.551 1.434 231 HB VAL 40 HB VAL 40 -6.607 0.777 -0.734 232 1HG1 VAL 40 1HG1 VAL 40 -8.305 1.092 1.013 233 2HG1 VAL 40 2HG1 VAL 40 -7.026 1.392 2.189 234 3HG1 VAL 40 3HG1 VAL 40 -7.161 -0.188 1.418 235 1HG2 VAL 40 1HG2 VAL 40 -5.972 3.111 -0.988 236 2HG2 VAL 40 2HG2 VAL 40 -6.326 3.408 0.714 237 3HG2 VAL 40 3HG2 VAL 40 -7.627 2.977 -0.394 238 H VAL 41 H VAL 41 -3.995 -0.137 2.504 239 HA VAL 41 HA VAL 41 -3.847 -2.781 1.305 240 HB VAL 41 HB VAL 41 -3.252 -1.853 4.125 241 1HG1 VAL 41 1HG1 VAL 41 -2.197 -4.041 4.424 242 2HG1 VAL 41 2HG1 VAL 41 -2.754 -4.523 2.820 243 3HG1 VAL 41 3HG1 VAL 41 -3.923 -4.186 4.098 244 1HG2 VAL 41 1HG2 VAL 41 -1.434 -2.527 1.821 245 2HG2 VAL 41 2HG2 VAL 41 -0.894 -2.266 3.481 246 3HG2 VAL 41 3HG2 VAL 41 -1.651 -0.947 2.577 247 H ARG 42 H ARG 42 -5.744 -3.756 1.084 248 HA ARG 42 HA ARG 42 -7.730 -3.508 3.223 249 1HB ARG 42 2HB ARG 42 -8.096 -4.741 0.494 250 2HB ARG 42 1HB ARG 42 -9.352 -4.258 1.620 251 1HG ARG 42 2HG ARG 42 -8.911 -1.957 1.288 252 2HG ARG 42 1HG ARG 42 -7.413 -2.300 0.424 253 1HD ARG 42 2HD ARG 42 -9.073 -1.654 -1.166 254 2HD ARG 42 1HD ARG 42 -8.759 -3.375 -1.361 255 HE ARG 42 HE ARG 42 -10.859 -3.635 0.067 256 1HH1 ARG 42 1HH1 ARG 42 -10.331 -0.878 -2.026 257 2HH1 ARG 42 2HH1 ARG 42 -12.011 -0.726 -2.450 258 1HH2 ARG 42 1HH2 ARG 42 -13.073 -3.402 -0.459 259 2HH2 ARG 42 2HH2 ARG 42 -13.559 -2.151 -1.555 260 H ASP 43 H ASP 43 -8.818 -5.479 3.913 261 HA ASP 43 HA ASP 43 -6.814 -7.545 4.330 262 1HB ASP 43 2HB ASP 43 -8.036 -8.224 6.201 263 2HB ASP 43 1HB ASP 43 -8.289 -6.489 6.171 264 H THR 44 H THR 44 -8.286 -9.764 4.804 265 HA THR 44 HA THR 44 -8.544 -10.833 2.204 266 HB THR 44 HB THR 44 -7.861 -12.182 4.157 267 HG1 THR 44 HG1 THR 44 -8.743 -13.280 2.340 268 1HG2 THR 44 1HG2 THR 44 -9.543 -12.999 5.744 269 2HG2 THR 44 2HG2 THR 44 -10.747 -11.947 5.000 270 3HG2 THR 44 3HG2 THR 44 -9.359 -11.249 5.832 271 H GLU 45 H GLU 45 -10.799 -9.263 4.313 272 HA GLU 45 HA GLU 45 -13.122 -10.289 2.903 273 1HB GLU 45 2HB GLU 45 -13.095 -9.776 5.379 274 2HB GLU 45 1HB GLU 45 -12.999 -8.074 4.949 275 1HG GLU 45 2HG GLU 45 -15.268 -8.588 5.434 276 2HG GLU 45 1HG GLU 45 -15.126 -8.335 3.695 277 H GLY 46 H GLY 46 -11.053 -7.486 2.991 278 1HA GLY 46 2HA GLY 46 -10.872 -6.212 0.912 279 2HA GLY 46 1HA GLY 46 -12.618 -6.343 0.762 280 H ARG 47 H ARG 47 -11.564 -5.818 3.947 281 HA ARG 47 HA ARG 47 -12.593 -3.090 3.864 282 1HB ARG 47 2HB ARG 47 -11.755 -4.869 6.167 283 2HB ARG 47 1HB ARG 47 -12.511 -3.297 6.322 284 1HG ARG 47 2HG ARG 47 -14.544 -4.082 5.373 285 2HG ARG 47 1HG ARG 47 -13.796 -5.609 4.900 286 1HD ARG 47 2HD ARG 47 -15.135 -5.982 6.853 287 2HD ARG 47 1HD ARG 47 -13.437 -6.112 7.301 288 HE ARG 47 HE ARG 47 -14.210 -3.490 7.790 289 1HH1 ARG 47 1HH1 ARG 47 -15.019 -6.701 8.914 290 2HH1 ARG 47 2HH1 ARG 47 -15.458 -6.170 10.511 291 1HH2 ARG 47 1HH2 ARG 47 -14.812 -2.773 9.884 292 2HH2 ARG 47 2HH2 ARG 47 -15.368 -3.933 11.052 293 H MET 48 H MET 48 -11.365 -1.287 4.398 294 HA MET 48 HA MET 48 -8.567 -1.543 3.853 295 1HB MET 48 2HB MET 48 -8.514 0.933 4.158 296 2HB MET 48 1HB MET 48 -9.661 0.378 2.953 297 1HG MET 48 2HG MET 48 -11.474 0.650 4.600 298 2HG MET 48 1HG MET 48 -10.301 1.276 5.756 299 1HE MET 48 1HE MET 48 -12.382 4.447 4.690 300 2HE MET 48 2HE MET 48 -11.840 3.457 6.044 301 3HE MET 48 3HE MET 48 -12.978 2.798 4.867 302 H VAL 49 H VAL 49 -7.057 -1.987 5.225 303 HA VAL 49 HA VAL 49 -7.502 -1.562 8.099 304 HB VAL 49 HB VAL 49 -5.349 -3.201 6.744 305 1HG1 VAL 49 1HG1 VAL 49 -6.302 -3.170 9.605 306 2HG1 VAL 49 2HG1 VAL 49 -4.775 -2.520 9.008 307 3HG1 VAL 49 3HG1 VAL 49 -5.084 -4.254 8.937 308 1HG2 VAL 49 1HG2 VAL 49 -6.703 -5.169 7.358 309 2HG2 VAL 49 2HG2 VAL 49 -7.487 -4.133 6.167 310 3HG2 VAL 49 3HG2 VAL 49 -8.006 -4.085 7.852 311 H TRP 50 H TRP 50 -5.448 -0.772 5.422 312 HA TRP 50 HA TRP 50 -4.170 1.379 6.922 313 1HB TRP 50 2HB TRP 50 -2.626 -0.543 7.114 314 2HB TRP 50 1HB TRP 50 -2.628 -0.710 5.366 315 HD1 TRP 50 HD1 TRP 50 -0.916 1.124 8.152 316 HE1 TRP 50 HE1 TRP 50 0.910 2.651 7.195 317 HE3 TRP 50 HE3 TRP 50 -2.162 0.858 3.228 318 HZ2 TRP 50 HZ2 TRP 50 1.718 3.624 4.676 319 HZ3 TRP 50 HZ3 TRP 50 -0.835 2.114 1.614 320 HH2 TRP 50 HH2 TRP 50 1.077 3.473 2.309 321 H ARG 51 H ARG 51 -3.970 3.169 5.681 322 HA ARG 51 HA ARG 51 -3.588 2.934 2.864 323 1HB ARG 51 2HB ARG 51 -5.610 4.442 2.343 324 2HB ARG 51 1HB ARG 51 -5.886 2.732 2.603 325 1HG ARG 51 2HG ARG 51 -7.598 3.649 3.807 326 2HG ARG 51 1HG ARG 51 -6.377 3.423 5.055 327 1HD ARG 51 2HD ARG 51 -5.739 5.902 4.358 328 2HD ARG 51 1HD ARG 51 -7.425 5.925 3.835 329 HE ARG 51 HE ARG 51 -6.499 5.404 6.585 330 1HH1 ARG 51 1HH1 ARG 51 -8.985 6.481 4.365 331 2HH1 ARG 51 2HH1 ARG 51 -10.124 6.850 5.620 332 1HH2 ARG 51 1HH2 ARG 51 -7.982 5.886 8.235 333 2HH2 ARG 51 2HH2 ARG 51 -9.545 6.528 7.835 334 H ALA 52 H ALA 52 -2.195 4.367 2.327 335 HA ALA 52 HA ALA 52 -2.267 7.050 3.411 336 1HB ALA 52 1HB ALA 52 0.022 6.992 4.271 337 2HB ALA 52 2HB ALA 52 0.128 5.272 3.896 338 3HB ALA 52 3HB ALA 52 -0.997 5.837 5.131 339 H TRP 53 H TRP 53 -0.240 8.263 2.421 340 HA TRP 53 HA TRP 53 -0.676 7.905 -0.387 341 1HB TRP 53 2HB TRP 53 0.865 9.991 1.152 342 2HB TRP 53 1HB TRP 53 0.552 10.044 -0.568 343 HD1 TRP 53 HD1 TRP 53 -1.173 10.477 2.763 344 HE1 TRP 53 HE1 TRP 53 -3.429 11.597 2.351 345 HE3 TRP 53 HE3 TRP 53 -1.253 10.317 -2.331 346 HZ2 TRP 53 HZ2 TRP 53 -5.064 12.330 0.170 347 HZ3 TRP 53 HZ3 TRP 53 -3.205 11.241 -3.509 348 HH2 TRP 53 HH2 TRP 53 -5.069 12.227 -2.281 349 H ASN 54 H ASN 54 2.391 9.060 0.735 350 HA ASN 54 HA ASN 54 3.866 6.702 0.031 351 1HB ASN 54 2HB ASN 54 3.250 7.515 -2.223 352 2HB ASN 54 1HB ASN 54 3.977 9.073 -1.857 353 1HD2 ASN 54 1HD2 ASN 54 6.226 9.252 -1.792 354 2HD2 ASN 54 2HD2 ASN 54 7.264 8.024 -2.425 355 H PHE 55 H PHE 55 3.793 10.138 0.688 356 HA PHE 55 HA PHE 55 6.602 10.266 1.347 357 1HB PHE 55 2HB PHE 55 6.082 12.656 1.875 358 2HB PHE 55 1HB PHE 55 5.648 12.179 0.238 359 HD1 PHE 55 HD1 PHE 55 3.332 12.110 -0.467 360 HD2 PHE 55 HD2 PHE 55 4.367 13.131 3.538 361 HE1 PHE 55 HE1 PHE 55 1.054 12.949 -0.095 362 HE2 PHE 55 HE2 PHE 55 2.085 13.972 3.911 363 HZ PHE 55 HZ PHE 55 0.425 13.884 2.095 364 H GLU 56 H GLU 56 4.432 8.728 2.903 365 HA GLU 56 HA GLU 56 4.163 9.940 5.434 366 1HB GLU 56 2HB GLU 56 4.138 6.970 5.196 367 2HB GLU 56 1HB GLU 56 3.046 8.031 6.071 368 1HG GLU 56 2HG GLU 56 3.086 7.545 3.099 369 2HG GLU 56 1HG GLU 56 1.888 6.963 4.251 370 HA PRO 57 HA PRO 57 8.231 9.890 7.127 371 1HB PRO 57 2HB PRO 57 6.671 8.947 9.509 372 2HB PRO 57 1HB PRO 57 7.953 10.162 9.417 373 1HG PRO 57 2HG PRO 57 5.392 10.896 9.507 374 2HG PRO 57 1HG PRO 57 6.557 11.763 8.490 375 1HD PRO 57 2HD PRO 57 4.366 9.933 7.707 376 2HD PRO 57 1HD PRO 57 5.141 11.233 6.779 377 H ASP 58 H ASP 58 6.218 7.168 8.315 378 HA ASP 58 HA ASP 58 8.252 5.373 7.211 379 1HB ASP 58 2HB ASP 58 8.402 5.726 9.811 380 2HB ASP 58 1HB ASP 58 6.999 4.663 9.842 381 H ALA 59 H ALA 59 6.446 5.527 5.577 382 HA ALA 59 HA ALA 59 3.888 4.495 6.020 383 1HB ALA 59 1HB ALA 59 4.581 5.688 3.977 384 2HB ALA 59 2HB ALA 59 3.760 4.166 3.626 385 3HB ALA 59 3HB ALA 59 5.517 4.273 3.491 386 H GLY 60 H GLY 60 6.929 2.894 5.391 387 1HA GLY 60 2HA GLY 60 6.103 0.323 4.806 388 2HA GLY 60 1HA GLY 60 7.594 0.725 5.639 389 H GLU 61 H GLU 61 6.490 1.828 7.999 390 HA GLU 61 HA GLU 61 6.308 -0.375 9.620 391 1HB GLU 61 2HB GLU 61 6.719 1.798 10.559 392 2HB GLU 61 1HB GLU 61 5.155 2.387 10.021 393 1HG GLU 61 2HG GLU 61 5.080 1.996 12.380 394 2HG GLU 61 1HG GLU 61 4.059 0.814 11.568 395 H GLY 62 H GLY 62 3.549 1.565 8.451 396 1HA GLY 62 2HA GLY 62 1.580 -0.082 9.634 397 2HA GLY 62 1HA GLY 62 1.305 1.074 8.341 398 H LEU 63 H LEU 63 2.986 -0.042 6.396 399 HA LEU 63 HA LEU 63 1.277 -1.961 5.251 400 1HB LEU 63 2HB LEU 63 4.115 -1.179 4.591 401 2HB LEU 63 1HB LEU 63 3.151 -2.258 3.602 402 HG LEU 63 HG LEU 63 2.221 0.530 4.248 403 1HD1 LEU 63 1HD1 LEU 63 3.901 -0.364 1.904 404 2HD1 LEU 63 2HD1 LEU 63 4.409 0.728 3.192 405 3HD1 LEU 63 3HD1 LEU 63 3.131 1.214 2.077 406 1HD2 LEU 63 1HD2 LEU 63 1.583 -1.370 1.995 407 2HD2 LEU 63 2HD2 LEU 63 0.874 0.229 2.246 408 3HD2 LEU 63 3HD2 LEU 63 0.566 -1.067 3.401 409 H ASN 64 H ASN 64 4.515 -2.324 6.697 410 HA ASN 64 HA ASN 64 4.578 -5.163 6.423 411 1HB ASN 64 2HB ASN 64 6.170 -3.309 8.207 412 2HB ASN 64 1HB ASN 64 6.475 -5.035 8.065 413 1HD2 ASN 64 1HD2 ASN 64 6.769 -1.947 6.575 414 2HD2 ASN 64 2HD2 ASN 64 7.801 -2.442 5.280 415 H ARG 65 H ARG 65 3.286 -2.974 8.743 416 HA ARG 65 HA ARG 65 2.994 -4.646 10.971 417 1HB ARG 65 2HB ARG 65 2.545 -2.090 10.592 418 2HB ARG 65 1HB ARG 65 0.920 -2.624 10.203 419 1HG ARG 65 2HG ARG 65 0.626 -3.528 12.398 420 2HG ARG 65 1HG ARG 65 2.322 -3.221 12.797 421 1HD ARG 65 2HD ARG 65 1.873 -0.788 12.331 422 2HD ARG 65 1HD ARG 65 0.162 -1.195 12.241 423 HE ARG 65 HE ARG 65 0.255 -1.805 14.578 424 1HH1 ARG 65 1HH1 ARG 65 3.068 -0.136 13.336 425 2HH1 ARG 65 2HH1 ARG 65 3.522 0.528 14.876 426 1HH2 ARG 65 1HH2 ARG 65 0.837 -0.948 16.604 427 2HH2 ARG 65 2HH2 ARG 65 2.224 0.096 16.735 428 H TYR 66 H TYR 66 1.004 -4.179 8.080 429 HA TYR 66 HA TYR 66 -0.951 -6.103 8.981 430 1HB TYR 66 2HB TYR 66 -1.717 -4.283 7.564 431 2HB TYR 66 1HB TYR 66 -0.602 -4.771 6.287 432 HD1 TYR 66 HD1 TYR 66 -1.159 -6.498 4.768 433 HD2 TYR 66 HD2 TYR 66 -3.621 -5.794 8.164 434 HE1 TYR 66 HE1 TYR 66 -2.851 -8.036 3.853 435 HE2 TYR 66 HE2 TYR 66 -5.317 -7.326 7.260 436 HH TYR 66 HH TYR 66 -5.999 -8.242 5.107 437 H ILE 67 H ILE 67 1.570 -6.016 6.465 438 HA ILE 67 HA ILE 67 1.207 -8.585 5.437 439 HB ILE 67 HB ILE 67 3.823 -7.085 5.727 440 1HG1 ILE 67 2HG1 ILE 67 1.872 -7.157 3.412 441 2HG1 ILE 67 1HG1 ILE 67 2.023 -5.824 4.551 442 1HG2 ILE 67 1HG2 ILE 67 4.140 -9.457 5.208 443 2HG2 ILE 67 2HG2 ILE 67 4.594 -8.430 3.848 444 3HG2 ILE 67 3HG2 ILE 67 3.057 -9.297 3.824 445 1HD1 ILE 67 1HD1 ILE 67 4.318 -5.453 3.818 446 2HD1 ILE 67 2HD1 ILE 67 3.180 -5.347 2.474 447 3HD1 ILE 67 3HD1 ILE 67 4.170 -6.792 2.679 448 H ARG 68 H ARG 68 2.575 -7.593 8.442 449 HA ARG 68 HA ARG 68 4.129 -9.692 9.265 450 1HB ARG 68 2HB ARG 68 3.694 -7.676 10.588 451 2HB ARG 68 1HB ARG 68 2.043 -8.206 10.868 452 1HG ARG 68 2HG ARG 68 2.949 -10.195 12.057 453 2HG ARG 68 1HG ARG 68 4.562 -9.499 11.884 454 1HD ARG 68 2HD ARG 68 3.620 -8.977 14.070 455 2HD ARG 68 1HD ARG 68 3.841 -7.511 13.112 456 HE ARG 68 HE ARG 68 1.208 -8.795 13.118 457 1HH1 ARG 68 1HH1 ARG 68 3.234 -6.139 14.168 458 2HH1 ARG 68 2HH1 ARG 68 1.883 -5.130 14.602 459 1HH2 ARG 68 1HH2 ARG 68 -0.555 -7.471 13.659 460 2HH2 ARG 68 2HH2 ARG 68 -0.261 -5.879 14.299 461 H THR 69 H THR 69 0.621 -9.624 8.912 462 HA THR 69 HA THR 69 0.513 -12.356 9.948 463 HB THR 69 HB THR 69 -1.036 -10.923 11.113 464 HG1 THR 69 HG1 THR 69 -2.397 -12.516 11.067 465 1HG2 THR 69 1HG2 THR 69 -1.285 -9.171 9.399 466 2HG2 THR 69 2HG2 THR 69 -2.836 -9.713 10.038 467 3HG2 THR 69 3HG2 THR 69 -2.295 -10.263 8.452 468 H SER 70 H SER 70 1.720 -12.480 7.778 469 HA SER 70 HA SER 70 1.732 -13.870 5.981 470 1HB SER 70 2HB SER 70 -1.258 -13.871 6.320 471 2HB SER 70 1HB SER 70 -0.383 -14.891 5.175 472 HG SER 70 HG SER 70 -0.634 -15.096 7.922 473 H GLY 71 H GLY 71 -0.852 -11.445 5.765 474 1HA GLY 71 2HA GLY 71 -1.205 -9.847 4.102 475 2HA GLY 71 1HA GLY 71 0.208 -10.460 3.252 476 H ILE 72 H ILE 72 -1.769 -9.895 1.611 477 HA ILE 72 HA ILE 72 -3.617 -12.115 1.372 478 HB ILE 72 HB ILE 72 -3.522 -9.410 0.406 479 1HG1 ILE 72 2HG1 ILE 72 -5.950 -9.773 0.200 480 2HG1 ILE 72 1HG1 ILE 72 -5.702 -11.500 0.439 481 1HG2 ILE 72 1HG2 ILE 72 -4.255 -11.441 -1.690 482 2HG2 ILE 72 2HG2 ILE 72 -2.907 -10.307 -1.763 483 3HG2 ILE 72 3HG2 ILE 72 -4.566 -9.709 -1.785 484 1HD1 ILE 72 1HD1 ILE 72 -6.456 -10.463 2.479 485 2HD1 ILE 72 2HD1 ILE 72 -5.115 -9.320 2.428 486 3HD1 ILE 72 3HD1 ILE 72 -4.800 -11.039 2.673 487 H ARG 73 H ARG 73 -0.486 -11.608 0.467 488 HA ARG 73 HA ARG 73 -0.266 -12.769 -2.069 489 1HB ARG 73 2HB ARG 73 2.019 -13.299 -1.464 490 2HB ARG 73 1HB ARG 73 1.583 -11.715 -0.847 491 1HG ARG 73 2HG ARG 73 1.290 -12.582 1.371 492 2HG ARG 73 1HG ARG 73 1.548 -14.228 0.796 493 1HD ARG 73 2HD ARG 73 3.833 -13.774 0.288 494 2HD ARG 73 1HD ARG 73 3.614 -12.050 0.588 495 HE ARG 73 HE ARG 73 2.987 -12.989 2.964 496 1HH1 ARG 73 1HH1 ARG 73 5.566 -14.047 0.844 497 2HH1 ARG 73 2HH1 ARG 73 6.644 -14.468 2.142 498 1HH2 ARG 73 1HH2 ARG 73 4.394 -13.538 4.672 499 2HH2 ARG 73 2HH2 ARG 73 5.977 -14.150 4.320 500 H THR 74 H THR 74 -1.064 -14.094 0.990 501 HA THR 74 HA THR 74 -0.427 -16.814 0.573 502 HB THR 74 HB THR 74 -2.722 -15.908 2.292 503 HG1 THR 74 HG1 THR 74 -1.388 -14.532 3.215 504 1HG2 THR 74 1HG2 THR 74 -1.824 -17.613 3.814 505 2HG2 THR 74 2HG2 THR 74 -0.502 -17.921 2.689 506 3HG2 THR 74 3HG2 THR 74 -2.160 -18.294 2.223 507 H ASP 75 H ASP 75 -2.479 -14.854 -1.065 508 HA ASP 75 HA ASP 75 -4.355 -17.056 -1.696 509 1HB ASP 75 2HB ASP 75 -5.206 -14.711 -0.849 510 2HB ASP 75 1HB ASP 75 -4.867 -14.210 -2.501 Start of MODEL 18 1 H GLY 10 H GLY 10 11.214 4.603 5.688 2 1HA GLY 10 2HA GLY 10 8.520 4.059 6.201 3 2HA GLY 10 1HA GLY 10 9.264 5.652 6.246 4 HA PRO 11 HA PRO 11 7.146 6.514 2.444 5 1HB PRO 11 2HB PRO 11 9.239 7.999 1.211 6 2HB PRO 11 1HB PRO 11 7.814 8.608 2.045 7 1HG PRO 11 2HG PRO 11 10.420 8.878 2.954 8 2HG PRO 11 1HG PRO 11 8.974 9.002 3.966 9 1HD PRO 11 2HD PRO 11 10.869 6.722 3.634 10 2HD PRO 11 1HD PRO 11 9.974 7.249 5.076 11 H PHE 12 H PHE 12 6.828 5.475 0.636 12 HA PHE 12 HA PHE 12 9.029 3.842 -0.429 13 1HB PHE 12 2HB PHE 12 7.210 2.529 -1.552 14 2HB PHE 12 1HB PHE 12 7.175 2.491 0.204 15 HD1 PHE 12 HD1 PHE 12 5.375 3.356 -2.800 16 HD2 PHE 12 HD2 PHE 12 5.468 3.843 1.426 17 HE1 PHE 12 HE1 PHE 12 3.005 4.029 -2.824 18 HE2 PHE 12 HE2 PHE 12 3.100 4.516 1.402 19 HZ PHE 12 HZ PHE 12 1.874 4.615 -0.724 20 H THR 13 H THR 13 8.234 3.269 -2.948 21 HA THR 13 HA THR 13 7.918 5.878 -4.269 22 HB THR 13 HB THR 13 9.475 5.289 -5.977 23 HG1 THR 13 HG1 THR 13 10.423 3.247 -6.100 24 1HG2 THR 13 1HG2 THR 13 10.525 6.104 -3.939 25 2HG2 THR 13 2HG2 THR 13 11.560 4.911 -4.730 26 3HG2 THR 13 3HG2 THR 13 10.610 4.457 -3.313 27 H ARG 14 H ARG 14 7.245 5.544 -6.619 28 HA ARG 14 HA ARG 14 4.872 4.063 -6.841 29 1HB ARG 14 2HB ARG 14 5.571 6.033 -8.231 30 2HB ARG 14 1HB ARG 14 6.690 4.988 -9.072 31 1HG ARG 14 2HG ARG 14 3.850 4.152 -9.005 32 2HG ARG 14 1HG ARG 14 4.276 5.533 -10.017 33 1HD ARG 14 2HD ARG 14 5.982 4.189 -11.132 34 2HD ARG 14 1HD ARG 14 5.558 2.811 -10.119 35 HE ARG 14 HE ARG 14 3.294 2.960 -11.194 36 1HH1 ARG 14 1HH1 ARG 14 6.121 4.240 -12.792 37 2HH1 ARG 14 2HH1 ARG 14 5.527 3.933 -14.395 38 1HH2 ARG 14 1HH2 ARG 14 2.500 2.531 -13.314 39 2HH2 ARG 14 2HH2 ARG 14 3.492 2.920 -14.690 40 H ARG 15 H ARG 15 8.101 3.489 -8.118 41 HA ARG 15 HA ARG 15 7.790 1.007 -9.300 42 1HB ARG 15 2HB ARG 15 9.851 2.165 -9.557 43 2HB ARG 15 1HB ARG 15 10.121 2.219 -7.822 44 1HG ARG 15 2HG ARG 15 10.424 -0.224 -7.816 45 2HG ARG 15 1HG ARG 15 10.218 -0.231 -9.569 46 1HD ARG 15 2HD ARG 15 12.602 -0.265 -8.799 47 2HD ARG 15 1HD ARG 15 12.195 1.065 -9.885 48 HE ARG 15 HE ARG 15 12.162 2.528 -7.945 49 1HH1 ARG 15 1HH1 ARG 15 13.682 -0.599 -7.519 50 2HH1 ARG 15 2HH1 ARG 15 14.628 -0.085 -6.160 51 1HH2 ARG 15 1HH2 ARG 15 13.431 3.202 -6.184 52 2HH2 ARG 15 2HH2 ARG 15 14.483 2.066 -5.387 53 H GLN 16 H GLN 16 8.729 1.655 -5.917 54 HA GLN 16 HA GLN 16 8.867 -1.020 -5.092 55 1HB GLN 16 2HB GLN 16 8.164 1.432 -3.463 56 2HB GLN 16 1HB GLN 16 8.578 -0.136 -2.788 57 1HG GLN 16 2HG GLN 16 10.384 1.584 -4.470 58 2HG GLN 16 1HG GLN 16 10.453 1.420 -2.717 59 1HE2 GLN 16 1HE2 GLN 16 9.874 -1.460 -2.825 60 2HE2 GLN 16 2HE2 GLN 16 11.341 -2.209 -3.354 61 H ALA 17 H ALA 17 6.196 1.306 -4.919 62 HA ALA 17 HA ALA 17 4.280 -0.235 -3.648 63 1HB ALA 17 1HB ALA 17 3.956 2.117 -4.171 64 2HB ALA 17 2HB ALA 17 2.602 1.156 -4.768 65 3HB ALA 17 3HB ALA 17 3.836 1.736 -5.889 66 H GLN 18 H GLN 18 4.952 -0.105 -7.150 67 HA GLN 18 HA GLN 18 2.954 -1.799 -8.041 68 1HB GLN 18 2HB GLN 18 5.757 -1.487 -9.116 69 2HB GLN 18 1HB GLN 18 4.418 -2.220 -9.976 70 1HG GLN 18 2HG GLN 18 3.213 -0.032 -9.762 71 2HG GLN 18 1HG GLN 18 4.726 0.648 -9.158 72 1HE2 GLN 18 1HE2 GLN 18 3.038 -0.626 -11.890 73 2HE2 GLN 18 2HE2 GLN 18 4.187 -0.140 -13.100 74 H ALA 19 H ALA 19 6.262 -2.628 -7.031 75 HA ALA 19 HA ALA 19 6.091 -5.378 -7.573 76 1HB ALA 19 1HB ALA 19 8.019 -5.619 -6.086 77 2HB ALA 19 2HB ALA 19 7.771 -3.978 -5.494 78 3HB ALA 19 3HB ALA 19 8.217 -4.249 -7.178 79 H VAL 20 H VAL 20 5.059 -3.492 -4.802 80 HA VAL 20 HA VAL 20 4.717 -5.832 -3.142 81 HB VAL 20 HB VAL 20 3.814 -3.011 -2.531 82 1HG1 VAL 20 1HG1 VAL 20 2.880 -4.781 -1.100 83 2HG1 VAL 20 2HG1 VAL 20 3.970 -3.718 -0.211 84 3HG1 VAL 20 3HG1 VAL 20 4.516 -5.317 -0.714 85 1HG2 VAL 20 1HG2 VAL 20 5.948 -2.775 -1.323 86 2HG2 VAL 20 2HG2 VAL 20 6.178 -2.968 -3.061 87 3HG2 VAL 20 3HG2 VAL 20 6.473 -4.326 -1.977 88 H THR 21 H THR 21 2.873 -4.244 -5.515 89 HA THR 21 HA THR 21 0.337 -5.185 -4.373 90 HB THR 21 HB THR 21 -0.212 -4.327 -6.957 91 HG1 THR 21 HG1 THR 21 1.723 -2.618 -5.728 92 1HG2 THR 21 1HG2 THR 21 -1.544 -3.980 -4.935 93 2HG2 THR 21 2HG2 THR 21 -1.317 -2.478 -5.840 94 3HG2 THR 21 3HG2 THR 21 -0.371 -2.778 -4.382 95 H THR 22 H THR 22 2.543 -5.697 -7.022 96 HA THR 22 HA THR 22 1.439 -7.938 -8.202 97 HB THR 22 HB THR 22 4.292 -7.151 -7.622 98 HG1 THR 22 HG1 THR 22 4.237 -6.310 -9.632 99 1HG2 THR 22 1HG2 THR 22 5.003 -8.800 -9.258 100 2HG2 THR 22 2HG2 THR 22 3.343 -9.380 -9.407 101 3HG2 THR 22 3HG2 THR 22 4.211 -9.564 -7.882 102 H THR 23 H THR 23 3.039 -7.508 -5.135 103 HA THR 23 HA THR 23 3.059 -10.351 -4.590 104 HB THR 23 HB THR 23 3.864 -8.068 -2.782 105 HG1 THR 23 HG1 THR 23 5.247 -8.011 -4.505 106 1HG2 THR 23 1HG2 THR 23 5.144 -9.791 -1.593 107 2HG2 THR 23 2HG2 THR 23 4.511 -11.022 -2.687 108 3HG2 THR 23 3HG2 THR 23 3.421 -10.172 -1.592 109 H TYR 24 H TYR 24 1.407 -7.425 -3.205 110 HA TYR 24 HA TYR 24 -0.598 -9.311 -2.164 111 1HB TYR 24 2HB TYR 24 0.120 -6.623 -0.980 112 2HB TYR 24 1HB TYR 24 -0.928 -7.835 -0.279 113 HD1 TYR 24 HD1 TYR 24 0.150 -10.068 0.392 114 HD2 TYR 24 HD2 TYR 24 2.405 -6.583 -0.531 115 HE1 TYR 24 HE1 TYR 24 2.099 -11.029 1.540 116 HE2 TYR 24 HE2 TYR 24 4.363 -7.538 0.610 117 HH TYR 24 HH TYR 24 4.592 -10.783 1.452 118 H SER 25 H SER 25 -2.230 -9.174 -3.613 119 HA SER 25 HA SER 25 -2.752 -6.799 -5.093 120 1HB SER 25 2HB SER 25 -4.735 -8.205 -5.904 121 2HB SER 25 1HB SER 25 -3.117 -8.792 -6.275 122 HG SER 25 HG SER 25 -3.787 -10.560 -5.353 123 H ASN 26 H ASN 26 -3.644 -7.759 -2.011 124 HA ASN 26 HA ASN 26 -6.216 -6.531 -1.871 125 1HB ASN 26 2HB ASN 26 -6.096 -6.804 0.461 126 2HB ASN 26 1HB ASN 26 -5.127 -8.144 -0.149 127 1HD2 ASN 26 1HD2 ASN 26 -2.922 -8.129 0.175 128 2HD2 ASN 26 2HD2 ASN 26 -2.139 -7.038 1.253 129 H ILE 27 H ILE 27 -3.002 -5.425 -2.041 130 HA ILE 27 HA ILE 27 -3.444 -2.839 -0.879 131 HB ILE 27 HB ILE 27 -1.244 -3.447 -2.830 132 1HG1 ILE 27 2HG1 ILE 27 -1.456 -4.457 -0.015 133 2HG1 ILE 27 1HG1 ILE 27 -0.990 -5.306 -1.455 134 1HG2 ILE 27 1HG2 ILE 27 0.009 -1.859 -1.456 135 2HG2 ILE 27 2HG2 ILE 27 -1.376 -1.704 -0.376 136 3HG2 ILE 27 3HG2 ILE 27 -1.497 -1.152 -2.048 137 1HD1 ILE 27 1HD1 ILE 27 0.899 -4.937 0.013 138 2HD1 ILE 27 2HD1 ILE 27 0.637 -3.196 -0.077 139 3HD1 ILE 27 3HD1 ILE 27 1.105 -4.092 -1.523 140 H THR 28 H THR 28 -3.919 -0.945 -1.973 141 HA THR 28 HA THR 28 -4.466 -1.175 -4.848 142 HB THR 28 HB THR 28 -6.610 0.237 -4.253 143 HG1 THR 28 HG1 THR 28 -5.948 -1.115 -1.843 144 1HG2 THR 28 1HG2 THR 28 -6.634 -1.932 -5.390 145 2HG2 THR 28 2HG2 THR 28 -7.936 -1.822 -4.207 146 3HG2 THR 28 3HG2 THR 28 -6.484 -2.753 -3.837 147 H LEU 29 H LEU 29 -4.389 0.796 -5.976 148 HA LEU 29 HA LEU 29 -2.910 2.846 -4.500 149 1HB LEU 29 2HB LEU 29 -2.068 1.633 -6.645 150 2HB LEU 29 1HB LEU 29 -3.157 2.715 -7.488 151 HG LEU 29 HG LEU 29 -1.002 3.733 -5.644 152 1HD1 LEU 29 1HD1 LEU 29 0.059 2.379 -7.379 153 2HD1 LEU 29 2HD1 LEU 29 0.373 4.096 -7.631 154 3HD1 LEU 29 3HD1 LEU 29 -0.829 3.264 -8.619 155 1HD2 LEU 29 1HD2 LEU 29 -1.264 5.775 -6.981 156 2HD2 LEU 29 2HD2 LEU 29 -2.768 5.315 -6.180 157 3HD2 LEU 29 3HD2 LEU 29 -2.552 4.997 -7.902 158 H GLU 30 H GLU 30 -3.892 4.643 -3.960 159 HA GLU 30 HA GLU 30 -6.183 5.584 -5.565 160 1HB GLU 30 2HB GLU 30 -5.614 5.752 -2.629 161 2HB GLU 30 1HB GLU 30 -6.618 6.966 -3.398 162 1HG GLU 30 2HG GLU 30 -8.046 5.030 -4.214 163 2HG GLU 30 1HG GLU 30 -7.142 4.042 -3.059 164 H ASP 31 H ASP 31 -6.346 7.797 -5.939 165 HA ASP 31 HA ASP 31 -5.717 9.935 -6.278 166 1HB ASP 31 2HB ASP 31 -5.249 9.480 -3.628 167 2HB ASP 31 1HB ASP 31 -3.675 10.058 -4.178 168 H ASP 32 H ASP 32 -4.589 8.338 -7.995 169 HA ASP 32 HA ASP 32 -1.799 8.283 -8.191 170 1HB ASP 32 2HB ASP 32 -3.732 8.491 -10.506 171 2HB ASP 32 1HB ASP 32 -2.145 7.747 -10.503 172 H GLN 33 H GLN 33 -1.122 10.464 -7.527 173 HA GLN 33 HA GLN 33 -1.568 12.456 -9.651 174 1HB GLN 33 2HB GLN 33 -2.412 12.751 -7.118 175 2HB GLN 33 1HB GLN 33 -0.784 13.395 -6.955 176 1HG GLN 33 2HG GLN 33 -1.200 15.027 -8.675 177 2HG GLN 33 1HG GLN 33 -2.789 14.335 -8.992 178 1HE2 GLN 33 1HE2 GLN 33 -4.422 14.584 -7.432 179 2HE2 GLN 33 2HE2 GLN 33 -4.358 15.853 -6.261 180 H GLY 34 H GLY 34 0.304 11.244 -10.541 181 1HA GLY 34 2HA GLY 34 2.442 11.478 -11.321 182 2HA GLY 34 1HA GLY 34 2.535 12.971 -10.402 183 H SER 35 H SER 35 3.753 13.037 -8.631 184 HA SER 35 HA SER 35 5.386 10.707 -8.118 185 1HB SER 35 2HB SER 35 6.453 12.897 -8.374 186 2HB SER 35 1HB SER 35 5.549 13.513 -6.992 187 HG SER 35 HG SER 35 6.875 11.227 -6.376 188 H HIS 36 H HIS 36 2.548 12.027 -6.751 189 HA HIS 36 HA HIS 36 3.073 10.453 -4.331 190 1HB HIS 36 2HB HIS 36 2.064 12.074 -2.883 191 2HB HIS 36 1HB HIS 36 3.321 12.875 -3.812 192 HD1 HIS 36 HD1 HIS 36 2.595 14.744 -5.423 193 HD2 HIS 36 HD2 HIS 36 -0.560 12.929 -3.407 194 HE1 HIS 36 HE1 HIS 36 0.616 16.257 -5.752 195 HE2 HIS 36 HE2 HIS 36 -1.216 15.249 -4.344 196 H PHE 37 H PHE 37 1.430 9.341 -3.477 197 HA PHE 37 HA PHE 37 -1.292 9.590 -4.258 198 1HB PHE 37 2HB PHE 37 -1.436 7.297 -5.270 199 2HB PHE 37 1HB PHE 37 -0.554 8.453 -6.264 200 HD1 PHE 37 HD1 PHE 37 -0.143 5.602 -3.935 201 HD2 PHE 37 HD2 PHE 37 1.672 8.062 -6.895 202 HE1 PHE 37 HE1 PHE 37 1.750 4.039 -4.067 203 HE2 PHE 37 HE2 PHE 37 3.571 6.502 -7.028 204 HZ PHE 37 HZ PHE 37 3.609 4.487 -5.618 205 H ARG 38 H ARG 38 -2.447 7.425 -3.302 206 HA ARG 38 HA ARG 38 -0.898 6.652 -0.904 207 1HB ARG 38 2HB ARG 38 -2.865 6.714 0.489 208 2HB ARG 38 1HB ARG 38 -2.649 8.283 -0.272 209 1HG ARG 38 2HG ARG 38 -4.404 7.779 -1.868 210 2HG ARG 38 1HG ARG 38 -4.595 6.168 -1.169 211 1HD ARG 38 2HD ARG 38 -5.193 7.211 0.989 212 2HD ARG 38 1HD ARG 38 -5.066 8.800 0.236 213 HE ARG 38 HE ARG 38 -7.002 6.790 -0.741 214 1HH1 ARG 38 1HH1 ARG 38 -6.267 9.970 0.525 215 2HH1 ARG 38 2HH1 ARG 38 -7.860 10.602 0.258 216 1HH2 ARG 38 1HH2 ARG 38 -9.103 7.595 -1.114 217 2HH2 ARG 38 2HH2 ARG 38 -9.482 9.241 -0.693 218 H LEU 39 H LEU 39 -1.385 4.584 -0.002 219 HA LEU 39 HA LEU 39 -2.645 2.766 -1.953 220 1HB LEU 39 2HB LEU 39 -0.426 2.155 -0.005 221 2HB LEU 39 1HB LEU 39 -1.186 0.996 -1.058 222 HG LEU 39 HG LEU 39 0.425 3.358 -1.981 223 1HD1 LEU 39 1HD1 LEU 39 1.812 1.679 -0.911 224 2HD1 LEU 39 2HD1 LEU 39 2.064 1.660 -2.657 225 3HD1 LEU 39 3HD1 LEU 39 1.074 0.416 -1.895 226 1HD2 LEU 39 1HD2 LEU 39 0.273 2.309 -4.187 227 2HD2 LEU 39 2HD2 LEU 39 -1.318 2.751 -3.570 228 3HD2 LEU 39 3HD2 LEU 39 -0.792 1.071 -3.520 229 H VAL 40 H VAL 40 -4.193 1.456 -1.272 230 HA VAL 40 HA VAL 40 -4.956 1.588 1.568 231 HB VAL 40 HB VAL 40 -6.684 0.684 -0.734 232 1HG1 VAL 40 1HG1 VAL 40 -7.362 1.497 2.090 233 2HG1 VAL 40 2HG1 VAL 40 -7.395 -0.140 1.435 234 3HG1 VAL 40 3HG1 VAL 40 -8.528 1.071 0.836 235 1HG2 VAL 40 1HG2 VAL 40 -6.047 3.005 -1.080 236 2HG2 VAL 40 2HG2 VAL 40 -6.572 3.404 0.558 237 3HG2 VAL 40 3HG2 VAL 40 -7.749 2.874 -0.645 238 H VAL 41 H VAL 41 -4.470 -0.123 2.728 239 HA VAL 41 HA VAL 41 -4.146 -2.752 1.515 240 HB VAL 41 HB VAL 41 -3.821 -1.756 4.358 241 1HG1 VAL 41 1HG1 VAL 41 -2.888 -3.967 4.865 242 2HG1 VAL 41 2HG1 VAL 41 -3.354 -4.521 3.258 243 3HG1 VAL 41 3HG1 VAL 41 -4.592 -4.050 4.422 244 1HG2 VAL 41 1HG2 VAL 41 -1.445 -2.218 3.970 245 2HG2 VAL 41 2HG2 VAL 41 -2.073 -1.025 2.834 246 3HG2 VAL 41 3HG2 VAL 41 -1.812 -2.688 2.311 247 H ARG 42 H ARG 42 -5.802 -4.158 1.371 248 HA ARG 42 HA ARG 42 -8.164 -3.632 3.064 249 1HB ARG 42 2HB ARG 42 -8.147 -5.089 0.415 250 2HB ARG 42 1HB ARG 42 -9.548 -4.597 1.347 251 1HG ARG 42 2HG ARG 42 -9.285 -2.353 0.828 252 2HG ARG 42 1HG ARG 42 -7.596 -2.558 0.367 253 1HD ARG 42 2HD ARG 42 -8.974 -2.193 -1.593 254 2HD ARG 42 1HD ARG 42 -8.294 -3.817 -1.610 255 HE ARG 42 HE ARG 42 -10.475 -4.658 -0.989 256 1HH1 ARG 42 1HH1 ARG 42 -10.348 -1.305 -2.013 257 2HH1 ARG 42 2HH1 ARG 42 -11.994 -1.283 -2.575 258 1HH2 ARG 42 1HH2 ARG 42 -12.659 -4.624 -1.723 259 2HH2 ARG 42 2HH2 ARG 42 -13.303 -3.161 -2.416 260 H ASP 43 H ASP 43 -9.409 -5.485 3.697 261 HA ASP 43 HA ASP 43 -7.685 -7.699 4.485 262 1HB ASP 43 2HB ASP 43 -8.908 -6.809 6.294 263 2HB ASP 43 1HB ASP 43 -10.389 -6.710 5.368 264 H THR 44 H THR 44 -9.071 -9.896 4.553 265 HA THR 44 HA THR 44 -9.348 -10.607 1.811 266 HB THR 44 HB THR 44 -10.141 -12.827 2.775 267 HG1 THR 44 HG1 THR 44 -9.525 -12.963 5.104 268 1HG2 THR 44 1HG2 THR 44 -7.831 -12.435 2.104 269 2HG2 THR 44 2HG2 THR 44 -7.891 -13.420 3.565 270 3HG2 THR 44 3HG2 THR 44 -7.482 -11.707 3.673 271 H GLU 45 H GLU 45 -11.537 -9.394 4.153 272 HA GLU 45 HA GLU 45 -13.919 -10.242 2.730 273 1HB GLU 45 2HB GLU 45 -13.864 -9.806 5.205 274 2HB GLU 45 1HB GLU 45 -13.619 -8.102 4.854 275 1HG GLU 45 2HG GLU 45 -15.926 -8.485 5.381 276 2HG GLU 45 1HG GLU 45 -15.784 -8.064 3.675 277 H GLY 46 H GLY 46 -11.552 -7.856 2.464 278 1HA GLY 46 2HA GLY 46 -11.309 -6.336 0.719 279 2HA GLY 46 1HA GLY 46 -13.012 -6.493 0.352 280 H ARG 47 H ARG 47 -12.514 -6.044 3.638 281 HA ARG 47 HA ARG 47 -13.447 -3.326 3.541 282 1HB ARG 47 2HB ARG 47 -13.287 -3.516 6.039 283 2HB ARG 47 1HB ARG 47 -14.341 -4.697 5.286 284 1HG ARG 47 2HG ARG 47 -12.699 -6.417 5.545 285 2HG ARG 47 1HG ARG 47 -11.494 -5.253 6.096 286 1HD ARG 47 2HD ARG 47 -12.806 -4.804 8.088 287 2HD ARG 47 1HD ARG 47 -14.073 -5.892 7.522 288 HE ARG 47 HE ARG 47 -12.629 -7.734 7.915 289 1HH1 ARG 47 1HH1 ARG 47 -11.301 -4.670 9.024 290 2HH1 ARG 47 2HH1 ARG 47 -10.167 -5.430 10.109 291 1HH2 ARG 47 1HH2 ARG 47 -11.140 -8.705 9.337 292 2HH2 ARG 47 2HH2 ARG 47 -10.066 -7.706 10.278 293 H MET 48 H MET 48 -12.256 -1.502 3.905 294 HA MET 48 HA MET 48 -9.475 -1.541 3.568 295 1HB MET 48 2HB MET 48 -9.537 0.838 4.333 296 2HB MET 48 1HB MET 48 -10.655 0.468 3.032 297 1HG MET 48 2HG MET 48 -12.517 0.545 4.471 298 2HG MET 48 1HG MET 48 -11.501 0.490 5.911 299 1HE MET 48 1HE MET 48 -10.015 2.487 6.754 300 2HE MET 48 2HE MET 48 -9.850 4.020 5.899 301 3HE MET 48 3HE MET 48 -9.205 2.541 5.188 302 H VAL 49 H VAL 49 -7.862 -1.923 4.898 303 HA VAL 49 HA VAL 49 -8.422 -2.056 7.777 304 HB VAL 49 HB VAL 49 -5.950 -3.073 6.369 305 1HG1 VAL 49 1HG1 VAL 49 -5.721 -2.779 8.769 306 2HG1 VAL 49 2HG1 VAL 49 -5.743 -4.495 8.355 307 3HG1 VAL 49 3HG1 VAL 49 -7.179 -3.735 9.039 308 1HG2 VAL 49 1HG2 VAL 49 -7.872 -4.183 5.387 309 2HG2 VAL 49 2HG2 VAL 49 -8.482 -4.586 6.992 310 3HG2 VAL 49 3HG2 VAL 49 -6.975 -5.301 6.415 311 H TRP 50 H TRP 50 -6.313 -0.599 5.362 312 HA TRP 50 HA TRP 50 -5.644 1.603 7.058 313 1HB TRP 50 2HB TRP 50 -4.178 -0.061 8.081 314 2HB TRP 50 1HB TRP 50 -3.507 -0.473 6.508 315 HD1 TRP 50 HD1 TRP 50 -1.336 0.733 5.873 316 HE1 TRP 50 HE1 TRP 50 -0.030 2.766 6.765 317 HE3 TRP 50 HE3 TRP 50 -4.720 2.434 9.314 318 HZ2 TRP 50 HZ2 TRP 50 -0.386 4.815 8.662 319 HZ3 TRP 50 HZ3 TRP 50 -4.156 4.443 10.620 320 HH2 TRP 50 HH2 TRP 50 -2.034 5.606 10.302 321 H ARG 51 H ARG 51 -5.546 3.257 5.672 322 HA ARG 51 HA ARG 51 -4.160 2.838 3.112 323 1HB ARG 51 2HB ARG 51 -5.567 4.771 2.244 324 2HB ARG 51 1HB ARG 51 -6.404 3.248 2.492 325 1HG ARG 51 2HG ARG 51 -7.583 4.031 4.313 326 2HG ARG 51 1HG ARG 51 -6.416 5.310 4.649 327 1HD ARG 51 2HD ARG 51 -8.602 6.094 3.715 328 2HD ARG 51 1HD ARG 51 -7.183 6.604 2.808 329 HE ARG 51 HE ARG 51 -7.778 5.080 1.083 330 1HH1 ARG 51 1HH1 ARG 51 -10.159 5.214 3.650 331 2HH1 ARG 51 2HH1 ARG 51 -11.463 4.669 2.642 332 1HH2 ARG 51 1HH2 ARG 51 -9.487 4.417 -0.253 333 2HH2 ARG 51 2HH2 ARG 51 -11.088 4.228 0.412 334 H ALA 52 H ALA 52 -2.406 4.023 2.803 335 HA ALA 52 HA ALA 52 -2.024 6.451 4.410 336 1HB ALA 52 1HB ALA 52 0.016 4.240 4.140 337 2HB ALA 52 2HB ALA 52 -0.902 4.623 5.596 338 3HB ALA 52 3HB ALA 52 0.262 5.783 4.959 339 H TRP 53 H TRP 53 -0.320 7.861 3.553 340 HA TRP 53 HA TRP 53 -0.473 7.861 0.664 341 1HB TRP 53 2HB TRP 53 0.515 9.842 2.690 342 2HB TRP 53 1HB TRP 53 0.757 10.077 0.979 343 HD1 TRP 53 HD1 TRP 53 -1.874 10.026 3.587 344 HE1 TRP 53 HE1 TRP 53 -3.990 11.159 2.682 345 HE3 TRP 53 HE3 TRP 53 -0.463 10.539 -1.251 346 HZ2 TRP 53 HZ2 TRP 53 -4.953 12.136 0.204 347 HZ3 TRP 53 HZ3 TRP 53 -2.025 11.577 -2.843 348 HH2 TRP 53 HH2 TRP 53 -4.223 12.358 -2.130 349 H ASN 54 H ASN 54 1.622 9.070 -0.166 350 HA ASN 54 HA ASN 54 3.687 6.997 -0.020 351 1HB ASN 54 2HB ASN 54 2.612 7.766 -2.211 352 2HB ASN 54 1HB ASN 54 3.506 9.264 -2.012 353 1HD2 ASN 54 1HD2 ASN 54 5.872 7.950 -0.906 354 2HD2 ASN 54 2HD2 ASN 54 6.635 7.145 -2.235 355 H PHE 55 H PHE 55 3.163 10.404 0.560 356 HA PHE 55 HA PHE 55 5.992 10.969 0.807 357 1HB PHE 55 2HB PHE 55 5.165 13.295 1.358 358 2HB PHE 55 1HB PHE 55 4.726 12.692 -0.235 359 HD1 PHE 55 HD1 PHE 55 2.504 12.643 -0.914 360 HD2 PHE 55 HD2 PHE 55 3.415 13.164 3.210 361 HE1 PHE 55 HE1 PHE 55 0.140 13.146 -0.457 362 HE2 PHE 55 HE2 PHE 55 1.050 13.668 3.672 363 HZ PHE 55 HZ PHE 55 -0.588 13.659 1.839 364 H GLU 56 H GLU 56 4.173 9.307 2.764 365 HA GLU 56 HA GLU 56 4.622 10.802 5.207 366 1HB GLU 56 2HB GLU 56 3.380 8.078 4.800 367 2HB GLU 56 1HB GLU 56 3.404 8.984 6.312 368 1HG GLU 56 2HG GLU 56 2.220 10.831 4.982 369 2HG GLU 56 1HG GLU 56 1.908 9.572 3.789 370 HA PRO 57 HA PRO 57 8.664 9.204 5.715 371 1HB PRO 57 2HB PRO 57 8.371 9.777 8.588 372 2HB PRO 57 1HB PRO 57 9.481 10.476 7.407 373 1HG PRO 57 2HG PRO 57 7.427 11.879 8.394 374 2HG PRO 57 1HG PRO 57 7.959 12.063 6.712 375 1HD PRO 57 2HD PRO 57 5.629 10.529 7.807 376 2HD PRO 57 1HD PRO 57 5.725 11.562 6.366 377 H ASP 58 H ASP 58 5.998 7.699 7.123 378 HA ASP 58 HA ASP 58 7.647 5.378 7.810 379 1HB ASP 58 2HB ASP 58 6.266 4.998 9.860 380 2HB ASP 58 1HB ASP 58 7.306 6.414 9.947 381 H ALA 59 H ALA 59 5.840 6.091 5.584 382 HA ALA 59 HA ALA 59 3.294 4.969 5.841 383 1HB ALA 59 1HB ALA 59 5.050 5.147 3.392 384 2HB ALA 59 2HB ALA 59 3.940 6.388 3.970 385 3HB ALA 59 3HB ALA 59 3.312 4.846 3.388 386 H GLY 60 H GLY 60 6.354 3.517 4.787 387 1HA GLY 60 2HA GLY 60 5.177 0.986 4.176 388 2HA GLY 60 1HA GLY 60 6.894 1.353 4.256 389 H GLU 61 H GLU 61 6.351 2.391 7.104 390 HA GLU 61 HA GLU 61 7.142 -0.062 8.321 391 1HB GLU 61 2HB GLU 61 7.836 2.326 8.964 392 2HB GLU 61 1HB GLU 61 6.297 2.410 9.813 393 1HG GLU 61 2HG GLU 61 6.911 0.731 11.323 394 2HG GLU 61 1HG GLU 61 8.272 0.217 10.326 395 H GLY 62 H GLY 62 4.169 1.778 8.127 396 1HA GLY 62 2HA GLY 62 2.726 0.061 9.948 397 2HA GLY 62 1HA GLY 62 2.034 1.306 8.913 398 H LEU 63 H LEU 63 3.081 0.432 6.469 399 HA LEU 63 HA LEU 63 1.225 -1.517 5.684 400 1HB LEU 63 2HB LEU 63 3.780 -0.664 4.317 401 2HB LEU 63 1HB LEU 63 2.493 -1.591 3.568 402 HG LEU 63 HG LEU 63 2.220 1.230 4.617 403 1HD1 LEU 63 1HD1 LEU 63 3.625 1.124 2.635 404 2HD1 LEU 63 2HD1 LEU 63 2.069 1.872 2.276 405 3HD1 LEU 63 3HD1 LEU 63 2.379 0.204 1.792 406 1HD2 LEU 63 1HD2 LEU 63 0.051 1.191 3.492 407 2HD2 LEU 63 2HD2 LEU 63 0.138 -0.025 4.766 408 3HD2 LEU 63 3HD2 LEU 63 0.294 -0.504 3.076 409 H ASN 64 H ASN 64 4.706 -1.743 6.398 410 HA ASN 64 HA ASN 64 4.961 -4.499 5.900 411 1HB ASN 64 2HB ASN 64 6.544 -2.617 7.635 412 2HB ASN 64 1HB ASN 64 6.942 -4.327 7.517 413 1HD2 ASN 64 1HD2 ASN 64 8.554 -2.081 6.758 414 2HD2 ASN 64 2HD2 ASN 64 8.877 -2.229 5.063 415 H ARG 65 H ARG 65 3.942 -2.716 8.771 416 HA ARG 65 HA ARG 65 3.811 -4.786 10.618 417 1HB ARG 65 2HB ARG 65 3.308 -2.637 11.433 418 2HB ARG 65 1HB ARG 65 2.098 -2.352 10.192 419 1HG ARG 65 2HG ARG 65 0.998 -2.656 12.292 420 2HG ARG 65 1HG ARG 65 0.654 -4.049 11.268 421 1HD ARG 65 2HD ARG 65 2.546 -5.229 12.456 422 2HD ARG 65 1HD ARG 65 2.553 -3.883 13.597 423 HE ARG 65 HE ARG 65 0.007 -5.233 13.168 424 1HH1 ARG 65 1HH1 ARG 65 2.828 -4.835 15.226 425 2HH1 ARG 65 2HH1 ARG 65 2.065 -5.572 16.600 426 1HH2 ARG 65 1HH2 ARG 65 -0.972 -6.186 14.950 427 2HH2 ARG 65 2HH2 ARG 65 -0.092 -6.374 16.444 428 H TYR 66 H TYR 66 1.490 -3.926 8.063 429 HA TYR 66 HA TYR 66 -0.221 -6.165 8.666 430 1HB TYR 66 2HB TYR 66 -1.142 -4.190 7.570 431 2HB TYR 66 1HB TYR 66 -0.047 -4.403 6.209 432 HD1 TYR 66 HD1 TYR 66 -3.134 -5.533 7.796 433 HD2 TYR 66 HD2 TYR 66 -0.427 -6.205 4.578 434 HE1 TYR 66 HE1 TYR 66 -4.837 -6.887 6.650 435 HE2 TYR 66 HE2 TYR 66 -2.122 -7.565 3.427 436 HH TYR 66 HH TYR 66 -5.307 -7.511 4.133 437 H ILE 67 H ILE 67 2.208 -5.448 6.198 438 HA ILE 67 HA ILE 67 1.919 -7.649 4.562 439 HB ILE 67 HB ILE 67 4.364 -6.028 5.231 440 1HG1 ILE 67 2HG1 ILE 67 2.581 -6.049 2.791 441 2HG1 ILE 67 1HG1 ILE 67 2.460 -4.892 4.112 442 1HG2 ILE 67 1HG2 ILE 67 5.400 -6.944 3.213 443 2HG2 ILE 67 2HG2 ILE 67 4.058 -8.075 3.049 444 3HG2 ILE 67 3HG2 ILE 67 5.134 -8.178 4.443 445 1HD1 ILE 67 1HD1 ILE 67 4.818 -5.246 2.274 446 2HD1 ILE 67 2HD1 ILE 67 4.724 -4.103 3.615 447 3HD1 ILE 67 3HD1 ILE 67 3.640 -3.933 2.233 448 H ARG 68 H ARG 68 4.204 -7.399 7.326 449 HA ARG 68 HA ARG 68 5.342 -9.945 6.706 450 1HB ARG 68 2HB ARG 68 6.723 -9.622 8.648 451 2HB ARG 68 1HB ARG 68 6.609 -8.106 7.766 452 1HG ARG 68 2HG ARG 68 4.798 -7.447 9.397 453 2HG ARG 68 1HG ARG 68 5.278 -8.854 10.350 454 1HD ARG 68 2HD ARG 68 6.993 -6.501 9.581 455 2HD ARG 68 1HD ARG 68 6.397 -6.896 11.192 456 HE ARG 68 HE ARG 68 8.071 -8.906 9.936 457 1HH1 ARG 68 1HH1 ARG 68 7.833 -6.211 12.164 458 2HH1 ARG 68 2HH1 ARG 68 9.378 -6.530 12.905 459 1HH2 ARG 68 1HH2 ARG 68 10.101 -9.318 10.889 460 2HH2 ARG 68 2HH2 ARG 68 10.648 -8.311 12.199 461 H THR 69 H THR 69 2.853 -8.856 8.904 462 HA THR 69 HA THR 69 2.731 -11.558 10.033 463 HB THR 69 HB THR 69 1.118 -10.094 11.666 464 HG1 THR 69 HG1 THR 69 1.567 -8.084 10.890 465 1HG2 THR 69 1HG2 THR 69 4.110 -10.429 11.864 466 2HG2 THR 69 2HG2 THR 69 2.898 -11.605 12.372 467 3HG2 THR 69 3HG2 THR 69 3.030 -10.057 13.209 468 H SER 70 H SER 70 1.523 -10.678 7.470 469 HA SER 70 HA SER 70 -0.970 -12.077 7.957 470 1HB SER 70 2HB SER 70 -0.897 -9.430 6.488 471 2HB SER 70 1HB SER 70 -2.291 -10.509 6.560 472 HG SER 70 HG SER 70 -1.356 -10.022 9.042 473 H GLY 71 H GLY 71 0.928 -10.426 5.474 474 1HA GLY 71 2HA GLY 71 1.683 -11.080 3.414 475 2HA GLY 71 1HA GLY 71 1.849 -12.660 4.149 476 H ILE 72 H ILE 72 -0.178 -10.593 2.180 477 HA ILE 72 HA ILE 72 -2.088 -12.722 1.665 478 HB ILE 72 HB ILE 72 -1.905 -9.990 0.368 479 1HG1 ILE 72 2HG1 ILE 72 -2.138 -9.760 2.780 480 2HG1 ILE 72 1HG1 ILE 72 -3.648 -9.326 1.990 481 1HG2 ILE 72 1HG2 ILE 72 -3.269 -11.567 -0.899 482 2HG2 ILE 72 2HG2 ILE 72 -4.278 -10.329 -0.150 483 3HG2 ILE 72 3HG2 ILE 72 -4.198 -11.944 0.551 484 1HD1 ILE 72 1HD1 ILE 72 -3.053 -11.928 3.377 485 2HD1 ILE 72 2HD1 ILE 72 -4.561 -11.527 2.556 486 3HD1 ILE 72 3HD1 ILE 72 -4.068 -10.622 3.988 487 H ARG 73 H ARG 73 0.937 -12.388 0.809 488 HA ARG 73 HA ARG 73 1.037 -12.421 -2.007 489 1HB ARG 73 2HB ARG 73 3.297 -13.248 -1.763 490 2HB ARG 73 1HB ARG 73 2.989 -12.007 -0.559 491 1HG ARG 73 2HG ARG 73 2.676 -13.684 1.148 492 2HG ARG 73 1HG ARG 73 2.873 -14.967 -0.044 493 1HD ARG 73 2HD ARG 73 4.987 -12.919 0.614 494 2HD ARG 73 1HD ARG 73 4.911 -14.533 1.320 495 HE ARG 73 HE ARG 73 5.140 -14.158 -1.595 496 1HH1 ARG 73 1HH1 ARG 73 6.379 -15.419 1.424 497 2HH1 ARG 73 2HH1 ARG 73 7.548 -16.447 0.664 498 1HH2 ARG 73 1HH2 ARG 73 6.685 -15.504 -2.604 499 2HH2 ARG 73 2HH2 ARG 73 7.726 -16.491 -1.635 500 H THR 74 H THR 74 -0.031 -14.784 0.199 501 HA THR 74 HA THR 74 0.460 -17.071 -1.455 502 HB THR 74 HB THR 74 0.097 -17.260 1.001 503 HG1 THR 74 HG1 THR 74 -1.869 -18.644 -0.538 504 1HG2 THR 74 1HG2 THR 74 -2.211 -17.156 1.871 505 2HG2 THR 74 2HG2 THR 74 -2.754 -16.539 0.310 506 3HG2 THR 74 3HG2 THR 74 -1.641 -15.589 1.294 507 H ASP 75 H ASP 75 -1.206 -14.436 -2.002 508 HA ASP 75 HA ASP 75 -2.703 -13.749 -3.489 509 1HB ASP 75 2HB ASP 75 -2.777 -14.787 -5.478 510 2HB ASP 75 1HB ASP 75 -1.509 -15.758 -4.750 Start of MODEL 19 1 H GLY 10 H GLY 10 11.088 2.715 6.620 2 1HA GLY 10 2HA GLY 10 9.694 4.537 6.669 3 2HA GLY 10 1HA GLY 10 11.062 5.348 5.942 4 HA PRO 11 HA PRO 11 8.099 6.124 2.713 5 1HB PRO 11 2HB PRO 11 9.978 7.700 1.286 6 2HB PRO 11 1HB PRO 11 8.703 8.265 2.362 7 1HG PRO 11 2HG PRO 11 11.452 8.452 2.822 8 2HG PRO 11 1HG PRO 11 10.176 8.681 4.026 9 1HD PRO 11 2HD PRO 11 11.926 6.332 3.538 10 2HD PRO 11 1HD PRO 11 11.188 6.902 5.048 11 H PHE 12 H PHE 12 7.666 5.323 0.750 12 HA PHE 12 HA PHE 12 9.802 3.753 -0.553 13 1HB PHE 12 2HB PHE 12 7.908 2.394 -1.511 14 2HB PHE 12 1HB PHE 12 8.117 2.262 0.228 15 HD1 PHE 12 HD1 PHE 12 6.586 3.717 1.697 16 HD2 PHE 12 HD2 PHE 12 5.825 2.912 -2.412 17 HE1 PHE 12 HE1 PHE 12 4.214 4.253 2.029 18 HE2 PHE 12 HE2 PHE 12 3.447 3.456 -2.078 19 HZ PHE 12 HZ PHE 12 2.646 4.132 0.147 20 H THR 13 H THR 13 8.726 3.237 -2.967 21 HA THR 13 HA THR 13 8.236 5.879 -4.166 22 HB THR 13 HB THR 13 9.635 5.386 -6.022 23 HG1 THR 13 HG1 THR 13 10.723 3.245 -6.056 24 1HG2 THR 13 1HG2 THR 13 11.026 4.344 -3.557 25 2HG2 THR 13 2HG2 THR 13 10.873 6.043 -4.012 26 3HG2 THR 13 3HG2 THR 13 11.821 4.942 -5.013 27 H ARG 14 H ARG 14 7.573 5.379 -6.639 28 HA ARG 14 HA ARG 14 5.013 4.281 -6.517 29 1HB ARG 14 2HB ARG 14 5.878 6.112 -7.921 30 2HB ARG 14 1HB ARG 14 6.834 4.949 -8.809 31 1HG ARG 14 2HG ARG 14 4.708 3.838 -9.468 32 2HG ARG 14 1HG ARG 14 3.861 5.228 -8.762 33 1HD ARG 14 2HD ARG 14 6.071 6.086 -10.357 34 2HD ARG 14 1HD ARG 14 5.020 5.047 -11.274 35 HE ARG 14 HE ARG 14 3.259 6.744 -10.185 36 1HH1 ARG 14 1HH1 ARG 14 6.286 7.274 -11.869 37 2HH1 ARG 14 2HH1 ARG 14 5.880 8.891 -12.365 38 1HH2 ARG 14 1HH2 ARG 14 2.714 8.851 -10.816 39 2HH2 ARG 14 2HH2 ARG 14 3.840 9.805 -11.738 40 H ARG 15 H ARG 15 7.958 3.243 -8.244 41 HA ARG 15 HA ARG 15 6.944 0.804 -9.163 42 1HB ARG 15 2HB ARG 15 9.257 0.196 -9.604 43 2HB ARG 15 1HB ARG 15 8.937 1.836 -10.119 44 1HG ARG 15 2HG ARG 15 10.122 2.732 -8.266 45 2HG ARG 15 1HG ARG 15 10.248 1.144 -7.504 46 1HD ARG 15 2HD ARG 15 11.644 0.361 -9.338 47 2HD ARG 15 1HD ARG 15 11.492 1.926 -10.136 48 HE ARG 15 HE ARG 15 12.759 2.891 -8.295 49 1HH1 ARG 15 1HH1 ARG 15 12.767 -0.606 -8.527 50 2HH1 ARG 15 2HH1 ARG 15 14.329 -0.781 -7.779 51 1HH2 ARG 15 1HH2 ARG 15 14.823 2.661 -7.308 52 2HH2 ARG 15 2HH2 ARG 15 15.495 1.069 -7.089 53 H GLN 16 H GLN 16 8.603 1.639 -6.147 54 HA GLN 16 HA GLN 16 8.912 -0.993 -5.186 55 1HB GLN 16 2HB GLN 16 8.536 1.597 -3.672 56 2HB GLN 16 1HB GLN 16 8.941 0.067 -2.911 57 1HG GLN 16 2HG GLN 16 10.618 1.510 -4.951 58 2HG GLN 16 1HG GLN 16 10.904 1.476 -3.212 59 1HE2 GLN 16 1HE2 GLN 16 10.131 -1.321 -2.966 60 2HE2 GLN 16 2HE2 GLN 16 11.426 -2.249 -3.637 61 H ALA 17 H ALA 17 6.343 1.399 -4.691 62 HA ALA 17 HA ALA 17 4.552 -0.154 -3.231 63 1HB ALA 17 1HB ALA 17 4.229 2.229 -3.643 64 2HB ALA 17 2HB ALA 17 2.797 1.314 -4.118 65 3HB ALA 17 3HB ALA 17 3.915 1.905 -5.348 66 H GLN 18 H GLN 18 4.863 0.127 -6.764 67 HA GLN 18 HA GLN 18 2.780 -1.560 -7.501 68 1HB GLN 18 2HB GLN 18 5.404 -0.966 -8.863 69 2HB GLN 18 1HB GLN 18 4.101 -1.867 -9.613 70 1HG GLN 18 2HG GLN 18 2.627 0.066 -9.391 71 2HG GLN 18 1HG GLN 18 3.938 0.971 -8.637 72 1HE2 GLN 18 1HE2 GLN 18 2.431 1.504 -11.081 73 2HE2 GLN 18 2HE2 GLN 18 3.603 1.620 -12.353 74 H ALA 19 H ALA 19 6.173 -2.321 -6.809 75 HA ALA 19 HA ALA 19 6.052 -5.060 -7.423 76 1HB ALA 19 1HB ALA 19 8.159 -3.877 -7.133 77 2HB ALA 19 2HB ALA 19 8.076 -5.276 -6.062 78 3HB ALA 19 3HB ALA 19 7.812 -3.653 -5.418 79 H VAL 20 H VAL 20 5.148 -3.273 -4.534 80 HA VAL 20 HA VAL 20 4.875 -5.653 -2.933 81 HB VAL 20 HB VAL 20 3.855 -2.871 -2.307 82 1HG1 VAL 20 1HG1 VAL 20 2.895 -4.670 -0.928 83 2HG1 VAL 20 2HG1 VAL 20 3.931 -3.596 0.011 84 3HG1 VAL 20 3HG1 VAL 20 4.523 -5.182 -0.483 85 1HG2 VAL 20 1HG2 VAL 20 5.933 -2.617 -1.007 86 2HG2 VAL 20 2HG2 VAL 20 6.232 -2.772 -2.738 87 3HG2 VAL 20 3HG2 VAL 20 6.511 -4.146 -1.668 88 H THR 21 H THR 21 2.958 -4.038 -5.246 89 HA THR 21 HA THR 21 0.458 -5.132 -4.159 90 HB THR 21 HB THR 21 -0.114 -4.102 -6.684 91 HG1 THR 21 HG1 THR 21 1.750 -2.430 -5.305 92 1HG2 THR 21 1HG2 THR 21 -1.308 -2.402 -5.466 93 2HG2 THR 21 2HG2 THR 21 -0.312 -2.686 -4.039 94 3HG2 THR 21 3HG2 THR 21 -1.433 -3.939 -4.598 95 H THR 22 H THR 22 2.831 -5.488 -6.598 96 HA THR 22 HA THR 22 1.790 -7.622 -8.055 97 HB THR 22 HB THR 22 4.633 -7.012 -7.217 98 HG1 THR 22 HG1 THR 22 3.451 -5.416 -8.523 99 1HG2 THR 22 1HG2 THR 22 3.633 -8.797 -9.421 100 2HG2 THR 22 2HG2 THR 22 4.415 -9.322 -7.931 101 3HG2 THR 22 3HG2 THR 22 5.315 -8.374 -9.113 102 H THR 23 H THR 23 3.259 -7.387 -4.894 103 HA THR 23 HA THR 23 3.281 -10.260 -4.506 104 HB THR 23 HB THR 23 3.818 -8.180 -2.391 105 HG1 THR 23 HG1 THR 23 5.113 -8.085 -4.507 106 1HG2 THR 23 1HG2 THR 23 3.578 -10.497 -1.631 107 2HG2 THR 23 2HG2 THR 23 5.240 -9.936 -1.449 108 3HG2 THR 23 3HG2 THR 23 4.813 -11.005 -2.784 109 H TYR 24 H TYR 24 1.592 -7.425 -3.030 110 HA TYR 24 HA TYR 24 -0.430 -9.330 -2.062 111 1HB TYR 24 2HB TYR 24 0.246 -6.614 -0.911 112 2HB TYR 24 1HB TYR 24 -0.826 -7.808 -0.216 113 HD1 TYR 24 HD1 TYR 24 0.091 -9.729 0.983 114 HD2 TYR 24 HD2 TYR 24 2.654 -6.862 -0.825 115 HE1 TYR 24 HE1 TYR 24 1.997 -10.643 2.237 116 HE2 TYR 24 HE2 TYR 24 4.567 -7.771 0.417 117 HH TYR 24 HH TYR 24 5.026 -9.061 2.406 118 H SER 25 H SER 25 -1.979 -9.221 -3.624 119 HA SER 25 HA SER 25 -2.543 -6.781 -5.006 120 1HB SER 25 2HB SER 25 -4.303 -8.231 -6.107 121 2HB SER 25 1HB SER 25 -2.634 -8.754 -6.308 122 HG SER 25 HG SER 25 -4.643 -10.153 -5.349 123 H ASN 26 H ASN 26 -3.336 -7.725 -2.017 124 HA ASN 26 HA ASN 26 -6.059 -6.746 -1.996 125 1HB ASN 26 2HB ASN 26 -5.953 -6.994 0.429 126 2HB ASN 26 1HB ASN 26 -5.337 -8.452 -0.340 127 1HD2 ASN 26 1HD2 ASN 26 -4.895 -7.151 2.326 128 2HD2 ASN 26 2HD2 ASN 26 -3.176 -7.063 2.481 129 H ILE 27 H ILE 27 -2.883 -5.518 -1.877 130 HA ILE 27 HA ILE 27 -3.566 -2.975 -0.711 131 HB ILE 27 HB ILE 27 -1.224 -3.300 -2.536 132 1HG1 ILE 27 2HG1 ILE 27 -1.465 -4.657 0.130 133 2HG1 ILE 27 1HG1 ILE 27 -0.907 -5.303 -1.392 134 1HG2 ILE 27 1HG2 ILE 27 -1.611 -1.874 0.090 135 2HG2 ILE 27 2HG2 ILE 27 -1.655 -1.140 -1.514 136 3HG2 ILE 27 3HG2 ILE 27 -0.152 -1.823 -0.900 137 1HD1 ILE 27 1HD1 ILE 27 1.099 -3.949 -1.253 138 2HD1 ILE 27 2HD1 ILE 27 0.923 -4.992 0.159 139 3HD1 ILE 27 3HD1 ILE 27 0.544 -3.274 0.280 140 H THR 28 H THR 28 -3.830 -0.999 -1.924 141 HA THR 28 HA THR 28 -4.222 -1.338 -4.801 142 HB THR 28 HB THR 28 -6.416 0.065 -4.478 143 HG1 THR 28 HG1 THR 28 -5.880 -0.945 -1.923 144 1HG2 THR 28 1HG2 THR 28 -6.343 -2.139 -5.512 145 2HG2 THR 28 2HG2 THR 28 -7.732 -2.012 -4.436 146 3HG2 THR 28 3HG2 THR 28 -6.300 -2.902 -3.921 147 H LEU 29 H LEU 29 -3.656 0.381 -5.973 148 HA LEU 29 HA LEU 29 -2.585 2.680 -4.544 149 1HB LEU 29 2HB LEU 29 -1.403 1.447 -6.448 150 2HB LEU 29 1HB LEU 29 -2.559 2.206 -7.522 151 HG LEU 29 HG LEU 29 -0.785 3.836 -5.713 152 1HD1 LEU 29 1HD1 LEU 29 -0.187 2.870 -8.502 153 2HD1 LEU 29 2HD1 LEU 29 0.678 2.435 -7.026 154 3HD1 LEU 29 3HD1 LEU 29 0.731 4.094 -7.622 155 1HD2 LEU 29 1HD2 LEU 29 -2.694 4.990 -6.714 156 2HD2 LEU 29 2HD2 LEU 29 -2.175 4.466 -8.317 157 3HD2 LEU 29 3HD2 LEU 29 -1.170 5.576 -7.383 158 H GLU 30 H GLU 30 -4.114 4.050 -3.945 159 HA GLU 30 HA GLU 30 -6.228 4.780 -5.876 160 1HB GLU 30 2HB GLU 30 -6.378 4.941 -2.857 161 2HB GLU 30 1HB GLU 30 -7.696 5.154 -3.999 162 1HG GLU 30 2HG GLU 30 -6.221 2.558 -3.838 163 2HG GLU 30 1HG GLU 30 -7.501 2.946 -2.690 164 H ASP 31 H ASP 31 -7.050 7.018 -5.590 165 HA ASP 31 HA ASP 31 -6.870 9.271 -5.303 166 1HB ASP 31 2HB ASP 31 -6.309 8.195 -2.869 167 2HB ASP 31 1HB ASP 31 -4.835 9.118 -3.166 168 H ASP 32 H ASP 32 -5.176 8.108 -7.231 169 HA ASP 32 HA ASP 32 -2.491 9.025 -6.875 170 1HB ASP 32 2HB ASP 32 -3.051 7.033 -8.256 171 2HB ASP 32 1HB ASP 32 -3.822 8.099 -9.427 172 H GLN 33 H GLN 33 -1.750 10.950 -7.172 173 HA GLN 33 HA GLN 33 -2.934 12.684 -9.239 174 1HB GLN 33 2HB GLN 33 -1.969 13.376 -6.473 175 2HB GLN 33 1HB GLN 33 -2.017 14.586 -7.746 176 1HG GLN 33 2HG GLN 33 -4.369 12.998 -6.752 177 2HG GLN 33 1HG GLN 33 -3.990 14.664 -6.312 178 1HE2 GLN 33 1HE2 GLN 33 -4.218 16.292 -7.866 179 2HE2 GLN 33 2HE2 GLN 33 -5.178 16.063 -9.289 180 H GLY 34 H GLY 34 -0.736 10.713 -9.263 181 1HA GLY 34 2HA GLY 34 1.227 10.725 -10.547 182 2HA GLY 34 1HA GLY 34 1.321 12.469 -10.355 183 H SER 35 H SER 35 2.285 13.342 -8.526 184 HA SER 35 HA SER 35 4.332 11.691 -7.372 185 1HB SER 35 2HB SER 35 4.667 14.079 -8.053 186 2HB SER 35 1HB SER 35 3.625 14.565 -6.718 187 HG SER 35 HG SER 35 6.233 13.607 -6.708 188 H HIS 36 H HIS 36 1.142 12.206 -6.594 189 HA HIS 36 HA HIS 36 1.611 11.363 -3.817 190 1HB HIS 36 2HB HIS 36 -0.493 13.349 -4.720 191 2HB HIS 36 1HB HIS 36 -0.324 12.715 -3.086 192 HD1 HIS 36 HD1 HIS 36 0.782 15.409 -5.270 193 HD2 HIS 36 HD2 HIS 36 2.183 13.559 -1.819 194 HE1 HIS 36 HE1 HIS 36 2.499 16.974 -4.312 195 HE2 HIS 36 HE2 HIS 36 3.510 15.702 -2.391 196 H PHE 37 H PHE 37 0.328 9.728 -3.116 197 HA PHE 37 HA PHE 37 -2.177 9.064 -4.240 198 1HB PHE 37 2HB PHE 37 -1.580 6.879 -5.224 199 2HB PHE 37 1HB PHE 37 -0.828 8.204 -6.100 200 HD1 PHE 37 HD1 PHE 37 -0.255 5.316 -3.928 201 HD2 PHE 37 HD2 PHE 37 1.566 8.519 -6.064 202 HE1 PHE 37 HE1 PHE 37 1.930 4.217 -3.705 203 HE2 PHE 37 HE2 PHE 37 3.758 7.422 -5.835 204 HZ PHE 37 HZ PHE 37 3.943 5.267 -4.656 205 H ARG 38 H ARG 38 -2.949 6.941 -3.245 206 HA ARG 38 HA ARG 38 -1.540 6.460 -0.683 207 1HB ARG 38 2HB ARG 38 -4.554 6.513 -1.031 208 2HB ARG 38 1HB ARG 38 -3.666 6.318 0.472 209 1HG ARG 38 2HG ARG 38 -2.838 8.606 0.280 210 2HG ARG 38 1HG ARG 38 -3.734 8.801 -1.230 211 1HD ARG 38 2HD ARG 38 -4.899 8.253 1.501 212 2HD ARG 38 1HD ARG 38 -4.973 9.776 0.615 213 HE ARG 38 HE ARG 38 -6.097 7.722 -0.950 214 1HH1 ARG 38 1HH1 ARG 38 -6.790 9.719 1.843 215 2HH1 ARG 38 2HH1 ARG 38 -8.517 9.529 1.710 216 1HH2 ARG 38 1HH2 ARG 38 -8.364 7.482 -1.142 217 2HH2 ARG 38 2HH2 ARG 38 -9.410 8.250 0.018 218 H LEU 39 H LEU 39 -1.212 4.366 -0.246 219 HA LEU 39 HA LEU 39 -2.513 2.371 -1.939 220 1HB LEU 39 2HB LEU 39 -0.319 2.040 0.092 221 2HB LEU 39 1HB LEU 39 -0.908 0.797 -0.981 222 HG LEU 39 HG LEU 39 0.389 3.331 -1.922 223 1HD1 LEU 39 1HD1 LEU 39 1.522 0.571 -1.532 224 2HD1 LEU 39 2HD1 LEU 39 1.955 2.026 -0.633 225 3HD1 LEU 39 3HD1 LEU 39 2.342 1.902 -2.348 226 1HD2 LEU 39 1HD2 LEU 39 -1.094 2.300 -3.561 227 2HD2 LEU 39 2HD2 LEU 39 -0.272 0.756 -3.343 228 3HD2 LEU 39 3HD2 LEU 39 0.596 2.122 -4.042 229 H VAL 40 H VAL 40 -4.415 1.834 -1.240 230 HA VAL 40 HA VAL 40 -4.989 1.638 1.605 231 HB VAL 40 HB VAL 40 -6.806 1.129 -0.761 232 1HG1 VAL 40 1HG1 VAL 40 -7.433 1.456 2.169 233 2HG1 VAL 40 2HG1 VAL 40 -7.567 -0.031 1.231 234 3HG1 VAL 40 3HG1 VAL 40 -8.623 1.334 0.876 235 1HG2 VAL 40 1HG2 VAL 40 -7.764 3.325 -0.249 236 2HG2 VAL 40 2HG2 VAL 40 -6.062 3.444 -0.697 237 3HG2 VAL 40 3HG2 VAL 40 -6.540 3.563 0.996 238 H VAL 41 H VAL 41 -4.562 -0.174 2.647 239 HA VAL 41 HA VAL 41 -4.307 -2.678 1.179 240 HB VAL 41 HB VAL 41 -3.904 -2.221 4.142 241 1HG1 VAL 41 1HG1 VAL 41 -2.619 -4.289 4.029 242 2HG1 VAL 41 2HG1 VAL 41 -2.978 -4.423 2.306 243 3HG1 VAL 41 3HG1 VAL 41 -4.281 -4.539 3.492 244 1HG2 VAL 41 1HG2 VAL 41 -2.374 -0.793 2.886 245 2HG2 VAL 41 2HG2 VAL 41 -1.848 -2.180 1.931 246 3HG2 VAL 41 3HG2 VAL 41 -1.502 -2.119 3.660 247 H ARG 42 H ARG 42 -6.116 -3.752 0.810 248 HA ARG 42 HA ARG 42 -8.340 -3.526 2.698 249 1HB ARG 42 2HB ARG 42 -8.167 -4.499 -0.150 250 2HB ARG 42 1HB ARG 42 -9.614 -4.683 0.827 251 1HG ARG 42 2HG ARG 42 -9.917 -2.343 0.999 252 2HG ARG 42 1HG ARG 42 -8.314 -2.019 0.340 253 1HD ARG 42 2HD ARG 42 -8.957 -2.491 -1.818 254 2HD ARG 42 1HD ARG 42 -10.273 -3.547 -1.310 255 HE ARG 42 HE ARG 42 -11.578 -1.602 -0.815 256 1HH1 ARG 42 1HH1 ARG 42 -8.585 -0.895 -2.525 257 2HH1 ARG 42 2HH1 ARG 42 -9.174 0.611 -3.165 258 1HH2 ARG 42 1HH2 ARG 42 -12.322 0.362 -1.643 259 2HH2 ARG 42 2HH2 ARG 42 -11.286 1.334 -2.651 260 H ASP 43 H ASP 43 -9.687 -5.612 2.846 261 HA ASP 43 HA ASP 43 -7.831 -7.748 3.645 262 1HB ASP 43 2HB ASP 43 -9.336 -8.380 5.318 263 2HB ASP 43 1HB ASP 43 -9.492 -6.629 5.302 264 H THR 44 H THR 44 -9.533 -9.851 3.850 265 HA THR 44 HA THR 44 -9.571 -10.887 1.238 266 HB THR 44 HB THR 44 -11.005 -12.717 2.375 267 HG1 THR 44 HG1 THR 44 -11.495 -11.110 4.158 268 1HG2 THR 44 1HG2 THR 44 -9.030 -13.624 3.520 269 2HG2 THR 44 2HG2 THR 44 -8.253 -12.044 3.426 270 3HG2 THR 44 3HG2 THR 44 -8.611 -12.941 1.949 271 H GLU 45 H GLU 45 -11.947 -9.092 3.023 272 HA GLU 45 HA GLU 45 -14.115 -9.868 1.238 273 1HB GLU 45 2HB GLU 45 -14.511 -9.499 3.671 274 2HB GLU 45 1HB GLU 45 -14.065 -7.813 3.460 275 1HG GLU 45 2HG GLU 45 -16.449 -7.990 3.532 276 2HG GLU 45 1HG GLU 45 -15.955 -7.542 1.899 277 H GLY 46 H GLY 46 -11.807 -7.316 1.695 278 1HA GLY 46 2HA GLY 46 -11.247 -5.885 -0.164 279 2HA GLY 46 1HA GLY 46 -12.936 -5.934 -0.650 280 H ARG 47 H ARG 47 -12.327 -5.607 2.710 281 HA ARG 47 HA ARG 47 -13.333 -2.878 2.658 282 1HB ARG 47 2HB ARG 47 -12.733 -4.820 4.894 283 2HB ARG 47 1HB ARG 47 -13.345 -3.198 5.145 284 1HG ARG 47 2HG ARG 47 -15.382 -3.729 3.978 285 2HG ARG 47 1HG ARG 47 -14.758 -5.327 3.563 286 1HD ARG 47 2HD ARG 47 -16.329 -5.354 5.479 287 2HD ARG 47 1HD ARG 47 -14.728 -5.975 5.879 288 HE ARG 47 HE ARG 47 -14.567 -3.363 6.579 289 1HH1 ARG 47 1HH1 ARG 47 -16.888 -5.879 7.332 290 2HH1 ARG 47 2HH1 ARG 47 -17.244 -5.247 8.917 291 1HH2 ARG 47 1HH2 ARG 47 -15.013 -2.545 8.630 292 2HH2 ARG 47 2HH2 ARG 47 -16.160 -3.351 9.666 293 H MET 48 H MET 48 -12.188 -1.104 3.411 294 HA MET 48 HA MET 48 -9.357 -1.240 3.213 295 1HB MET 48 2HB MET 48 -9.422 1.159 3.921 296 2HB MET 48 1HB MET 48 -10.392 0.785 2.510 297 1HG MET 48 2HG MET 48 -11.510 1.035 5.291 298 2HG MET 48 1HG MET 48 -11.435 2.365 4.136 299 1HE MET 48 1HE MET 48 -14.139 1.461 5.557 300 2HE MET 48 2HE MET 48 -15.256 1.523 4.192 301 3HE MET 48 3HE MET 48 -14.030 2.776 4.393 302 H VAL 49 H VAL 49 -8.099 -2.068 4.688 303 HA VAL 49 HA VAL 49 -8.860 -1.914 7.514 304 HB VAL 49 HB VAL 49 -6.633 -3.492 6.200 305 1HG1 VAL 49 1HG1 VAL 49 -6.181 -2.989 8.551 306 2HG1 VAL 49 2HG1 VAL 49 -6.510 -4.706 8.316 307 3HG1 VAL 49 3HG1 VAL 49 -7.751 -3.657 9.000 308 1HG2 VAL 49 1HG2 VAL 49 -8.789 -4.291 5.457 309 2HG2 VAL 49 2HG2 VAL 49 -9.369 -4.359 7.122 310 3HG2 VAL 49 3HG2 VAL 49 -8.086 -5.445 6.591 311 H TRP 50 H TRP 50 -6.468 -0.845 5.212 312 HA TRP 50 HA TRP 50 -5.375 1.035 7.119 313 1HB TRP 50 2HB TRP 50 -4.016 -0.922 7.613 314 2HB TRP 50 1HB TRP 50 -3.671 -1.156 5.904 315 HD1 TRP 50 HD1 TRP 50 -1.459 -0.177 5.091 316 HE1 TRP 50 HE1 TRP 50 0.230 1.550 5.971 317 HE3 TRP 50 HE3 TRP 50 -4.029 1.443 9.205 318 HZ2 TRP 50 HZ2 TRP 50 0.447 3.363 8.126 319 HZ3 TRP 50 HZ3 TRP 50 -3.013 3.180 10.621 320 HH2 TRP 50 HH2 TRP 50 -0.820 4.119 10.091 321 H ARG 51 H ARG 51 -3.990 2.626 6.072 322 HA ARG 51 HA ARG 51 -3.682 2.555 3.217 323 1HB ARG 51 2HB ARG 51 -4.899 4.691 2.833 324 2HB ARG 51 1HB ARG 51 -5.961 3.365 3.286 325 1HG ARG 51 2HG ARG 51 -6.167 4.206 5.516 326 2HG ARG 51 1HG ARG 51 -4.939 5.437 5.212 327 1HD ARG 51 2HD ARG 51 -6.396 6.478 3.546 328 2HD ARG 51 1HD ARG 51 -7.620 5.243 3.843 329 HE ARG 51 HE ARG 51 -7.854 6.147 6.093 330 1HH1 ARG 51 1HH1 ARG 51 -6.103 8.132 3.799 331 2HH1 ARG 51 2HH1 ARG 51 -6.492 9.625 4.594 332 1HH2 ARG 51 1HH2 ARG 51 -8.363 8.120 7.153 333 2HH2 ARG 51 2HH2 ARG 51 -7.748 9.619 6.509 334 H ALA 52 H ALA 52 -2.145 3.987 2.499 335 HA ALA 52 HA ALA 52 -1.109 6.076 4.230 336 1HB ALA 52 1HB ALA 52 0.658 3.796 3.333 337 2HB ALA 52 2HB ALA 52 0.137 4.103 4.990 338 3HB ALA 52 3HB ALA 52 1.190 5.255 4.169 339 H TRP 53 H TRP 53 0.292 7.558 3.012 340 HA TRP 53 HA TRP 53 -0.514 7.667 0.257 341 1HB TRP 53 2HB TRP 53 1.208 9.438 1.980 342 2HB TRP 53 1HB TRP 53 0.996 9.726 0.275 343 HD1 TRP 53 HD1 TRP 53 -0.914 9.860 3.548 344 HE1 TRP 53 HE1 TRP 53 -2.970 11.338 3.188 345 HE3 TRP 53 HE3 TRP 53 -0.590 10.524 -1.500 346 HZ2 TRP 53 HZ2 TRP 53 -4.314 12.613 1.064 347 HZ3 TRP 53 HZ3 TRP 53 -2.305 11.879 -2.625 348 HH2 TRP 53 HH2 TRP 53 -4.130 12.906 -1.369 349 H ASN 54 H ASN 54 2.702 8.542 1.187 350 HA ASN 54 HA ASN 54 4.125 6.328 0.176 351 1HB ASN 54 2HB ASN 54 3.201 6.957 -1.981 352 2HB ASN 54 1HB ASN 54 3.739 8.618 -1.765 353 1HD2 ASN 54 1HD2 ASN 54 5.923 9.113 -2.021 354 2HD2 ASN 54 2HD2 ASN 54 7.027 8.029 -2.784 355 H PHE 55 H PHE 55 4.021 9.780 0.789 356 HA PHE 55 HA PHE 55 6.904 10.026 0.628 357 1HB PHE 55 2HB PHE 55 6.484 12.443 0.991 358 2HB PHE 55 1HB PHE 55 5.592 11.786 -0.375 359 HD1 PHE 55 HD1 PHE 55 5.340 13.166 3.002 360 HD2 PHE 55 HD2 PHE 55 3.180 11.604 -0.318 361 HE1 PHE 55 HE1 PHE 55 3.252 14.069 3.938 362 HE2 PHE 55 HE2 PHE 55 1.088 12.504 0.617 363 HZ PHE 55 HZ PHE 55 1.122 13.740 2.746 364 H GLU 56 H GLU 56 4.616 9.410 3.074 365 HA GLU 56 HA GLU 56 5.810 10.758 5.240 366 1HB GLU 56 2HB GLU 56 4.362 8.114 5.419 367 2HB GLU 56 1HB GLU 56 4.565 9.305 6.691 368 1HG GLU 56 2HG GLU 56 2.429 9.756 6.088 369 2HG GLU 56 1HG GLU 56 3.275 10.843 4.988 370 HA PRO 57 HA PRO 57 9.578 8.519 5.706 371 1HB PRO 57 2HB PRO 57 10.152 9.176 8.282 372 2HB PRO 57 1HB PRO 57 10.351 10.294 6.928 373 1HG PRO 57 2HG PRO 57 8.119 10.093 8.910 374 2HG PRO 57 1HG PRO 57 8.916 11.539 8.264 375 1HD PRO 57 2HD PRO 57 6.514 10.673 7.365 376 2HD PRO 57 1HD PRO 57 7.685 11.499 6.317 377 H ASP 58 H ASP 58 6.741 7.560 7.004 378 HA ASP 58 HA ASP 58 7.949 5.097 8.036 379 1HB ASP 58 2HB ASP 58 5.640 6.514 9.383 380 2HB ASP 58 1HB ASP 58 6.354 4.987 9.881 381 H ALA 59 H ALA 59 6.343 6.183 5.578 382 HA ALA 59 HA ALA 59 3.716 5.151 5.756 383 1HB ALA 59 1HB ALA 59 3.605 5.484 3.353 384 2HB ALA 59 2HB ALA 59 5.359 5.655 3.273 385 3HB ALA 59 3HB ALA 59 4.393 6.859 4.122 386 H GLY 60 H GLY 60 6.716 3.830 4.447 387 1HA GLY 60 2HA GLY 60 5.591 1.419 3.490 388 2HA GLY 60 1HA GLY 60 7.297 1.716 3.799 389 H GLU 61 H GLU 61 6.730 2.431 6.649 390 HA GLU 61 HA GLU 61 7.040 -0.236 7.645 391 1HB GLU 61 2HB GLU 61 8.102 1.899 8.616 392 2HB GLU 61 1HB GLU 61 6.540 2.176 9.380 393 1HG GLU 61 2HG GLU 61 6.823 -0.262 10.234 394 2HG GLU 61 1HG GLU 61 8.526 0.005 9.874 395 H GLY 62 H GLY 62 4.428 2.066 7.403 396 1HA GLY 62 2HA GLY 62 2.626 0.746 9.171 397 2HA GLY 62 1HA GLY 62 2.183 1.881 7.899 398 H LEU 63 H LEU 63 3.205 0.580 5.699 399 HA LEU 63 HA LEU 63 1.226 -1.349 5.112 400 1HB LEU 63 2HB LEU 63 3.866 -0.879 3.721 401 2HB LEU 63 1HB LEU 63 2.479 -1.712 3.046 402 HG LEU 63 HG LEU 63 2.476 1.195 3.848 403 1HD1 LEU 63 1HD1 LEU 63 2.560 1.658 1.442 404 2HD1 LEU 63 2HD1 LEU 63 2.813 -0.062 1.135 405 3HD1 LEU 63 3HD1 LEU 63 4.022 0.864 2.028 406 1HD2 LEU 63 1HD2 LEU 63 0.269 0.180 3.888 407 2HD2 LEU 63 2HD2 LEU 63 0.515 -0.456 2.263 408 3HD2 LEU 63 3HD2 LEU 63 0.417 1.284 2.521 409 H ASN 64 H ASN 64 4.696 -1.666 5.808 410 HA ASN 64 HA ASN 64 4.836 -4.472 5.762 411 1HB ASN 64 2HB ASN 64 6.484 -2.366 7.147 412 2HB ASN 64 1HB ASN 64 6.835 -4.079 7.345 413 1HD2 ASN 64 1HD2 ASN 64 8.882 -3.609 6.419 414 2HD2 ASN 64 2HD2 ASN 64 9.064 -3.449 4.708 415 H ARG 65 H ARG 65 3.739 -2.245 8.204 416 HA ARG 65 HA ARG 65 3.811 -3.983 10.429 417 1HB ARG 65 2HB ARG 65 3.541 -1.474 10.461 418 2HB ARG 65 1HB ARG 65 1.880 -1.712 9.943 419 1HG ARG 65 2HG ARG 65 1.337 -2.842 11.981 420 2HG ARG 65 1HG ARG 65 3.030 -2.837 12.485 421 1HD ARG 65 2HD ARG 65 1.283 -0.411 12.066 422 2HD ARG 65 1HD ARG 65 1.786 -1.074 13.621 423 HE ARG 65 HE ARG 65 4.158 -0.610 12.541 424 1HH1 ARG 65 1HH1 ARG 65 1.290 1.409 12.471 425 2HH1 ARG 65 2HH1 ARG 65 2.188 2.902 12.438 426 1HH2 ARG 65 1HH2 ARG 65 5.347 1.356 12.454 427 2HH2 ARG 65 2HH2 ARG 65 4.483 2.871 12.405 428 H TYR 66 H TYR 66 1.360 -3.319 7.969 429 HA TYR 66 HA TYR 66 -0.587 -5.121 9.018 430 1HB TYR 66 2HB TYR 66 -1.210 -3.358 7.427 431 2HB TYR 66 1HB TYR 66 -0.191 -4.088 6.194 432 HD1 TYR 66 HD1 TYR 66 -0.847 -6.274 5.191 433 HD2 TYR 66 HD2 TYR 66 -3.411 -4.161 7.848 434 HE1 TYR 66 HE1 TYR 66 -2.751 -7.615 4.406 435 HE2 TYR 66 HE2 TYR 66 -5.324 -5.495 7.070 436 HH TYR 66 HH TYR 66 -5.961 -6.800 5.044 437 H ILE 67 H ILE 67 1.789 -5.348 6.407 438 HA ILE 67 HA ILE 67 1.411 -7.963 5.581 439 HB ILE 67 HB ILE 67 3.983 -6.384 5.747 440 1HG1 ILE 67 2HG1 ILE 67 2.138 -6.870 3.400 441 2HG1 ILE 67 1HG1 ILE 67 2.119 -5.412 4.388 442 1HG2 ILE 67 1HG2 ILE 67 4.843 -7.917 4.029 443 2HG2 ILE 67 2HG2 ILE 67 3.386 -8.895 4.194 444 3HG2 ILE 67 3HG2 ILE 67 4.501 -8.744 5.550 445 1HD1 ILE 67 1HD1 ILE 67 4.423 -4.942 3.719 446 2HD1 ILE 67 2HD1 ILE 67 3.346 -5.058 2.327 447 3HD1 ILE 67 3HD1 ILE 67 4.424 -6.396 2.722 448 H ARG 68 H ARG 68 3.193 -6.772 8.338 449 HA ARG 68 HA ARG 68 4.820 -8.849 9.027 450 1HB ARG 68 2HB ARG 68 4.631 -6.609 10.118 451 2HB ARG 68 1HB ARG 68 3.217 -7.204 10.974 452 1HG ARG 68 2HG ARG 68 4.575 -8.928 12.029 453 2HG ARG 68 1HG ARG 68 6.000 -8.326 11.176 454 1HD ARG 68 2HD ARG 68 5.423 -6.063 12.253 455 2HD ARG 68 1HD ARG 68 4.398 -7.001 13.336 456 HE ARG 68 HE ARG 68 6.882 -8.219 13.372 457 1HH1 ARG 68 1HH1 ARG 68 5.463 -5.147 14.281 458 2HH1 ARG 68 2HH1 ARG 68 6.729 -4.747 15.409 459 1HH2 ARG 68 1HH2 ARG 68 8.537 -7.700 14.879 460 2HH2 ARG 68 2HH2 ARG 68 8.459 -6.205 15.754 461 H THR 69 H THR 69 1.344 -8.681 9.490 462 HA THR 69 HA THR 69 0.983 -10.638 11.421 463 HB THR 69 HB THR 69 -1.271 -10.937 10.386 464 HG1 THR 69 HG1 THR 69 -0.684 -8.838 8.608 465 1HG2 THR 69 1HG2 THR 69 -0.928 -9.184 12.032 466 2HG2 THR 69 2HG2 THR 69 -2.031 -8.626 10.775 467 3HG2 THR 69 3HG2 THR 69 -0.350 -8.091 10.775 468 H SER 70 H SER 70 1.520 -10.881 7.996 469 HA SER 70 HA SER 70 2.508 -13.392 7.743 470 1HB SER 70 2HB SER 70 0.406 -14.261 8.745 471 2HB SER 70 1HB SER 70 -0.516 -13.504 7.448 472 HG SER 70 HG SER 70 1.331 -14.941 6.269 473 H GLY 71 H GLY 71 0.162 -11.112 6.482 474 1HA GLY 71 2HA GLY 71 0.240 -9.967 4.458 475 2HA GLY 71 1HA GLY 71 1.593 -10.976 3.968 476 H ILE 72 H ILE 72 -0.880 -10.188 2.523 477 HA ILE 72 HA ILE 72 -2.420 -12.632 2.339 478 HB ILE 72 HB ILE 72 -2.610 -10.138 0.632 479 1HG1 ILE 72 2HG1 ILE 72 -2.929 -9.635 3.016 480 2HG1 ILE 72 1HG1 ILE 72 -4.441 -9.477 2.130 481 1HG2 ILE 72 1HG2 ILE 72 -4.918 -10.908 0.202 482 2HG2 ILE 72 2HG2 ILE 72 -4.567 -12.392 1.089 483 3HG2 ILE 72 3HG2 ILE 72 -3.708 -12.037 -0.410 484 1HD1 ILE 72 1HD1 ILE 72 -4.770 -10.548 4.284 485 2HD1 ILE 72 2HD1 ILE 72 -3.637 -11.822 3.837 486 3HD1 ILE 72 3HD1 ILE 72 -5.161 -11.651 2.964 487 H ARG 73 H ARG 73 0.540 -11.980 1.379 488 HA ARG 73 HA ARG 73 0.678 -12.612 -1.362 489 1HB ARG 73 2HB ARG 73 3.014 -12.993 -1.003 490 2HB ARG 73 1HB ARG 73 2.510 -11.670 0.030 491 1HG ARG 73 2HG ARG 73 2.408 -13.196 1.940 492 2HG ARG 73 1HG ARG 73 2.950 -14.512 0.898 493 1HD ARG 73 2HD ARG 73 5.029 -13.274 0.454 494 2HD ARG 73 1HD ARG 73 4.488 -11.993 1.539 495 HE ARG 73 HE ARG 73 5.076 -14.759 2.389 496 1HH1 ARG 73 1HH1 ARG 73 4.962 -11.315 3.017 497 2HH1 ARG 73 2HH1 ARG 73 5.680 -11.457 4.589 498 1HH2 ARG 73 1HH2 ARG 73 6.040 -14.942 4.462 499 2HH2 ARG 73 2HH2 ARG 73 6.283 -13.505 5.418 500 H THR 74 H THR 74 0.249 -14.560 1.475 501 HA THR 74 HA THR 74 0.823 -17.108 0.472 502 HB THR 74 HB THR 74 -1.421 -16.382 2.368 503 HG1 THR 74 HG1 THR 74 0.079 -16.204 3.947 504 1HG2 THR 74 1HG2 THR 74 0.289 -18.862 2.151 505 2HG2 THR 74 2HG2 THR 74 -1.385 -18.718 1.616 506 3HG2 THR 74 3HG2 THR 74 -0.993 -18.584 3.331 507 H ASP 75 H ASP 75 -1.535 -14.829 -0.282 508 HA ASP 75 HA ASP 75 -3.430 -14.718 -1.477 509 1HB ASP 75 2HB ASP 75 -1.965 -15.588 -3.234 510 2HB ASP 75 1HB ASP 75 -2.463 -17.222 -2.816 Start of MODEL 20 1 H GLY 10 H GLY 10 10.814 2.421 5.578 2 1HA GLY 10 2HA GLY 10 9.309 4.069 6.120 3 2HA GLY 10 1HA GLY 10 10.531 5.233 5.637 4 HA PRO 11 HA PRO 11 7.654 6.241 2.381 5 1HB PRO 11 2HB PRO 11 9.313 7.842 0.925 6 2HB PRO 11 1HB PRO 11 8.464 8.375 2.378 7 1HG PRO 11 2HG PRO 11 11.295 7.473 2.057 8 2HG PRO 11 1HG PRO 11 10.653 8.812 3.026 9 1HD PRO 11 2HD PRO 11 11.350 6.435 4.115 10 2HD PRO 11 1HD PRO 11 10.019 7.420 4.758 11 H PHE 12 H PHE 12 7.359 5.837 0.198 12 HA PHE 12 HA PHE 12 9.343 4.017 -1.024 13 1HB PHE 12 2HB PHE 12 7.416 2.690 -1.900 14 2HB PHE 12 1HB PHE 12 7.584 2.646 -0.150 15 HD1 PHE 12 HD1 PHE 12 6.089 4.225 1.215 16 HD2 PHE 12 HD2 PHE 12 5.388 3.270 -2.873 17 HE1 PHE 12 HE1 PHE 12 3.732 4.875 1.467 18 HE2 PHE 12 HE2 PHE 12 3.028 3.930 -2.619 19 HZ PHE 12 HZ PHE 12 2.204 4.739 -0.448 20 H THR 13 H THR 13 8.341 3.499 -3.411 21 HA THR 13 HA THR 13 7.558 6.051 -4.667 22 HB THR 13 HB THR 13 8.842 5.507 -6.634 23 HG1 THR 13 HG1 THR 13 10.184 3.513 -6.541 24 1HG2 THR 13 1HG2 THR 13 10.117 6.561 -4.829 25 2HG2 THR 13 2HG2 THR 13 11.134 5.464 -5.763 26 3HG2 THR 13 3HG2 THR 13 10.521 4.967 -4.185 27 H ARG 14 H ARG 14 6.548 5.492 -6.973 28 HA ARG 14 HA ARG 14 4.411 3.681 -6.605 29 1HB ARG 14 2HB ARG 14 5.475 5.246 -8.905 30 2HB ARG 14 1HB ARG 14 4.377 3.918 -9.250 31 1HG ARG 14 2HG ARG 14 2.701 4.893 -7.805 32 2HG ARG 14 1HG ARG 14 3.803 6.197 -7.391 33 1HD ARG 14 2HD ARG 14 2.714 5.602 -10.134 34 2HD ARG 14 1HD ARG 14 2.176 6.890 -9.063 35 HE ARG 14 HE ARG 14 4.978 7.027 -9.639 36 1HH1 ARG 14 1HH1 ARG 14 1.784 7.821 -10.823 37 2HH1 ARG 14 2HH1 ARG 14 2.333 9.159 -11.790 38 1HH2 ARG 14 1HH2 ARG 14 5.708 8.796 -10.908 39 2HH2 ARG 14 2HH2 ARG 14 4.556 9.717 -11.826 40 H ARG 15 H ARG 15 7.487 3.426 -8.337 41 HA ARG 15 HA ARG 15 7.116 0.923 -9.480 42 1HB ARG 15 2HB ARG 15 9.579 2.352 -8.514 43 2HB ARG 15 1HB ARG 15 9.658 0.781 -9.289 44 1HG ARG 15 2HG ARG 15 8.548 1.737 -11.276 45 2HG ARG 15 1HG ARG 15 8.590 3.320 -10.495 46 1HD ARG 15 2HD ARG 15 10.447 2.926 -12.112 47 2HD ARG 15 1HD ARG 15 10.980 3.326 -10.479 48 HE ARG 15 HE ARG 15 11.305 0.853 -10.187 49 1HH1 ARG 15 1HH1 ARG 15 11.449 2.338 -13.364 50 2HH1 ARG 15 2HH1 ARG 15 12.486 1.104 -14.022 51 1HH2 ARG 15 1HH2 ARG 15 12.668 -0.736 -11.033 52 2HH2 ARG 15 2HH2 ARG 15 13.197 -0.646 -12.690 53 H GLN 16 H GLN 16 8.480 1.774 -6.307 54 HA GLN 16 HA GLN 16 8.951 -0.881 -5.478 55 1HB GLN 16 2HB GLN 16 8.356 1.531 -3.752 56 2HB GLN 16 1HB GLN 16 9.085 0.030 -3.206 57 1HG GLN 16 2HG GLN 16 10.262 2.092 -5.043 58 2HG GLN 16 1HG GLN 16 10.814 1.638 -3.435 59 1HE2 GLN 16 1HE2 GLN 16 11.941 -0.295 -3.166 60 2HE2 GLN 16 2HE2 GLN 16 12.668 -1.120 -4.497 61 H ALA 17 H ALA 17 6.262 1.340 -4.843 62 HA ALA 17 HA ALA 17 4.662 -0.350 -3.314 63 1HB ALA 17 1HB ALA 17 2.791 1.063 -3.970 64 2HB ALA 17 2HB ALA 17 3.759 1.753 -5.274 65 3HB ALA 17 3HB ALA 17 4.218 2.030 -3.593 66 H GLN 18 H GLN 18 4.655 0.098 -6.839 67 HA GLN 18 HA GLN 18 2.533 -1.559 -7.489 68 1HB GLN 18 2HB GLN 18 5.040 -0.808 -8.976 69 2HB GLN 18 1HB GLN 18 3.782 -1.788 -9.702 70 1HG GLN 18 2HG GLN 18 3.372 0.985 -8.589 71 2HG GLN 18 1HG GLN 18 3.630 0.605 -10.293 72 1HE2 GLN 18 1HE2 GLN 18 2.003 -0.363 -11.468 73 2HE2 GLN 18 2HE2 GLN 18 0.374 -0.467 -10.885 74 H ALA 19 H ALA 19 5.927 -2.361 -6.947 75 HA ALA 19 HA ALA 19 5.763 -5.068 -7.746 76 1HB ALA 19 1HB ALA 19 7.880 -3.863 -7.554 77 2HB ALA 19 2HB ALA 19 7.891 -5.338 -6.589 78 3HB ALA 19 3HB ALA 19 7.674 -3.774 -5.805 79 H VAL 20 H VAL 20 4.697 -3.453 -4.868 80 HA VAL 20 HA VAL 20 4.878 -5.895 -3.249 81 HB VAL 20 HB VAL 20 3.857 -3.166 -2.422 82 1HG1 VAL 20 1HG1 VAL 20 4.771 -5.538 -0.795 83 2HG1 VAL 20 2HG1 VAL 20 3.109 -4.974 -0.981 84 3HG1 VAL 20 3HG1 VAL 20 4.292 -3.971 -0.142 85 1HG2 VAL 20 1HG2 VAL 20 6.631 -4.328 -2.208 86 2HG2 VAL 20 2HG2 VAL 20 6.082 -2.918 -1.309 87 3HG2 VAL 20 3HG2 VAL 20 6.141 -2.868 -3.071 88 H THR 21 H THR 21 2.884 -4.161 -5.249 89 HA THR 21 HA THR 21 0.382 -5.040 -4.025 90 HB THR 21 HB THR 21 0.698 -3.383 -6.534 91 HG1 THR 21 HG1 THR 21 1.846 -2.364 -4.784 92 1HG2 THR 21 1HG2 THR 21 -1.422 -3.471 -4.419 93 2HG2 THR 21 2HG2 THR 21 -1.497 -4.351 -5.944 94 3HG2 THR 21 3HG2 THR 21 -1.486 -2.585 -5.940 95 H THR 22 H THR 22 2.507 -5.424 -6.721 96 HA THR 22 HA THR 22 1.137 -7.451 -8.097 97 HB THR 22 HB THR 22 4.084 -6.888 -7.711 98 HG1 THR 22 HG1 THR 22 2.930 -5.303 -8.893 99 1HG2 THR 22 1HG2 THR 22 4.481 -8.349 -9.622 100 2HG2 THR 22 2HG2 THR 22 2.774 -8.790 -9.641 101 3HG2 THR 22 3HG2 THR 22 3.783 -9.229 -8.263 102 H THR 23 H THR 23 3.170 -7.367 -5.236 103 HA THR 23 HA THR 23 3.233 -10.194 -4.848 104 HB THR 23 HB THR 23 3.771 -7.985 -2.846 105 HG1 THR 23 HG1 THR 23 5.207 -7.764 -4.554 106 1HG2 THR 23 1HG2 THR 23 5.125 -9.680 -1.701 107 2HG2 THR 23 2HG2 THR 23 4.625 -10.884 -2.890 108 3HG2 THR 23 3HG2 THR 23 3.435 -10.173 -1.799 109 H TYR 24 H TYR 24 1.496 -7.544 -3.096 110 HA TYR 24 HA TYR 24 -0.473 -9.585 -2.317 111 1HB TYR 24 2HB TYR 24 0.169 -6.974 -0.935 112 2HB TYR 24 1HB TYR 24 -0.944 -8.199 -0.370 113 HD1 TYR 24 HD1 TYR 24 2.425 -7.024 -0.317 114 HD2 TYR 24 HD2 TYR 24 0.039 -10.512 0.164 115 HE1 TYR 24 HE1 TYR 24 4.277 -8.119 0.872 116 HE2 TYR 24 HE2 TYR 24 1.880 -11.614 1.357 117 HH TYR 24 HH TYR 24 4.533 -9.978 2.559 118 H SER 25 H SER 25 -2.045 -9.447 -3.787 119 HA SER 25 HA SER 25 -2.792 -7.088 -5.152 120 1HB SER 25 2HB SER 25 -4.794 -8.592 -5.808 121 2HB SER 25 1HB SER 25 -3.179 -9.092 -6.310 122 HG SER 25 HG SER 25 -4.188 -10.855 -5.411 123 H ASN 26 H ASN 26 -3.404 -8.089 -2.030 124 HA ASN 26 HA ASN 26 -6.010 -6.904 -1.743 125 1HB ASN 26 2HB ASN 26 -5.715 -7.295 0.645 126 2HB ASN 26 1HB ASN 26 -5.266 -8.733 -0.260 127 1HD2 ASN 26 1HD2 ASN 26 -4.299 -6.451 2.020 128 2HD2 ASN 26 2HD2 ASN 26 -2.649 -6.935 2.171 129 H ILE 27 H ILE 27 -2.892 -5.747 -2.088 130 HA ILE 27 HA ILE 27 -3.379 -3.234 -0.696 131 HB ILE 27 HB ILE 27 -1.132 -3.692 -2.644 132 1HG1 ILE 27 2HG1 ILE 27 -1.217 -4.653 0.214 133 2HG1 ILE 27 1HG1 ILE 27 -0.987 -5.616 -1.220 134 1HG2 ILE 27 1HG2 ILE 27 -1.335 -2.049 -0.120 135 2HG2 ILE 27 2HG2 ILE 27 -1.491 -1.433 -1.766 136 3HG2 ILE 27 3HG2 ILE 27 0.047 -2.099 -1.216 137 1HD1 ILE 27 1HD1 ILE 27 1.153 -4.534 -1.610 138 2HD1 ILE 27 2HD1 ILE 27 1.092 -5.295 -0.019 139 3HD1 ILE 27 3HD1 ILE 27 0.913 -3.547 -0.170 140 H THR 28 H THR 28 -3.404 -1.175 -1.959 141 HA THR 28 HA THR 28 -3.914 -1.422 -4.797 142 HB THR 28 HB THR 28 -6.119 0.117 -3.873 143 HG1 THR 28 HG1 THR 28 -5.701 -1.357 -1.948 144 1HG2 THR 28 1HG2 THR 28 -5.987 -2.622 -5.139 145 2HG2 THR 28 2HG2 THR 28 -5.994 -1.082 -5.998 146 3HG2 THR 28 3HG2 THR 28 -7.413 -1.584 -5.082 147 H LEU 29 H LEU 29 -3.254 0.332 -5.863 148 HA LEU 29 HA LEU 29 -2.245 2.566 -4.283 149 1HB LEU 29 2HB LEU 29 -0.937 1.339 -6.107 150 2HB LEU 29 1HB LEU 29 -1.975 2.151 -7.259 151 HG LEU 29 HG LEU 29 -0.328 3.704 -5.272 152 1HD1 LEU 29 1HD1 LEU 29 1.380 3.929 -7.000 153 2HD1 LEU 29 2HD1 LEU 29 0.501 2.793 -8.020 154 3HD1 LEU 29 3HD1 LEU 29 1.195 2.252 -6.493 155 1HD2 LEU 29 1HD2 LEU 29 -1.421 4.407 -7.994 156 2HD2 LEU 29 2HD2 LEU 29 -0.532 5.478 -6.912 157 3HD2 LEU 29 3HD2 LEU 29 -2.130 4.892 -6.453 158 H GLU 30 H GLU 30 -3.601 4.178 -3.877 159 HA GLU 30 HA GLU 30 -5.446 5.001 -6.016 160 1HB GLU 30 2HB GLU 30 -5.980 4.786 -3.057 161 2HB GLU 30 1HB GLU 30 -6.995 5.731 -4.138 162 1HG GLU 30 2HG GLU 30 -6.489 2.770 -4.272 163 2HG GLU 30 1HG GLU 30 -7.981 3.574 -3.783 164 H ASP 31 H ASP 31 -6.326 7.253 -5.560 165 HA ASP 31 HA ASP 31 -5.952 9.485 -5.527 166 1HB ASP 31 2HB ASP 31 -5.525 8.885 -3.038 167 2HB ASP 31 1HB ASP 31 -3.824 9.121 -3.430 168 H ASP 32 H ASP 32 -4.455 7.761 -7.275 169 HA ASP 32 HA ASP 32 -1.741 8.468 -7.441 170 1HB ASP 32 2HB ASP 32 -2.542 6.498 -8.567 171 2HB ASP 32 1HB ASP 32 -3.644 7.452 -9.557 172 H GLN 33 H GLN 33 -1.321 10.585 -7.369 173 HA GLN 33 HA GLN 33 -2.330 12.262 -9.577 174 1HB GLN 33 2HB GLN 33 -2.832 13.031 -7.255 175 2HB GLN 33 1HB GLN 33 -1.107 13.100 -6.935 176 1HG GLN 33 2HG GLN 33 -0.872 14.814 -8.677 177 2HG GLN 33 1HG GLN 33 -2.617 14.768 -8.934 178 1HE2 GLN 33 1HE2 GLN 33 -3.982 15.580 -7.329 179 2HE2 GLN 33 2HE2 GLN 33 -3.403 16.642 -6.095 180 H GLY 34 H GLY 34 0.232 10.448 -8.557 181 1HA GLY 34 2HA GLY 34 2.110 10.464 -10.255 182 2HA GLY 34 1HA GLY 34 2.253 12.170 -9.845 183 H SER 35 H SER 35 3.502 12.744 -8.169 184 HA SER 35 HA SER 35 4.812 10.720 -6.591 185 1HB SER 35 2HB SER 35 4.837 13.739 -6.294 186 2HB SER 35 1HB SER 35 5.947 12.611 -5.515 187 HG SER 35 HG SER 35 6.980 12.302 -7.360 188 H HIS 36 H HIS 36 1.991 12.641 -6.411 189 HA HIS 36 HA HIS 36 1.546 12.042 -3.593 190 1HB HIS 36 2HB HIS 36 0.314 13.851 -5.587 191 2HB HIS 36 1HB HIS 36 -0.795 13.131 -4.428 192 HD1 HIS 36 HD1 HIS 36 -1.173 14.575 -2.485 193 HD2 HIS 36 HD2 HIS 36 2.669 15.030 -4.021 194 HE1 HIS 36 HE1 HIS 36 -0.069 16.338 -1.063 195 HE2 HIS 36 HE2 HIS 36 2.170 16.746 -2.155 196 H PHE 37 H PHE 37 0.686 10.175 -3.054 197 HA PHE 37 HA PHE 37 -1.730 9.220 -4.092 198 1HB PHE 37 2HB PHE 37 -1.009 7.106 -5.104 199 2HB PHE 37 1HB PHE 37 -0.360 8.470 -6.002 200 HD1 PHE 37 HD1 PHE 37 2.061 9.102 -5.652 201 HD2 PHE 37 HD2 PHE 37 0.387 5.468 -4.204 202 HE1 PHE 37 HE1 PHE 37 4.317 8.142 -5.469 203 HE2 PHE 37 HE2 PHE 37 2.642 4.508 -4.008 204 HZ PHE 37 HZ PHE 37 4.606 5.842 -4.640 205 H ARG 38 H ARG 38 -2.285 7.062 -3.071 206 HA ARG 38 HA ARG 38 -0.656 6.484 -0.705 207 1HB ARG 38 2HB ARG 38 -2.592 6.597 0.787 208 2HB ARG 38 1HB ARG 38 -2.280 8.157 0.040 209 1HG ARG 38 2HG ARG 38 -4.080 7.611 -1.623 210 2HG ARG 38 1HG ARG 38 -4.465 6.202 -0.630 211 1HD ARG 38 2HD ARG 38 -4.797 7.736 1.302 212 2HD ARG 38 1HD ARG 38 -4.561 9.095 0.204 213 HE ARG 38 HE ARG 38 -6.729 7.140 -0.211 214 1HH1 ARG 38 1HH1 ARG 38 -5.621 10.445 0.117 215 2HH1 ARG 38 2HH1 ARG 38 -7.180 11.131 -0.206 216 1HH2 ARG 38 1HH2 ARG 38 -8.773 8.040 -0.638 217 2HH2 ARG 38 2HH2 ARG 38 -8.968 9.771 -0.645 218 H LEU 39 H LEU 39 -0.806 4.395 0.032 219 HA LEU 39 HA LEU 39 -2.181 2.578 -1.800 220 1HB LEU 39 2HB LEU 39 -0.151 1.955 0.336 221 2HB LEU 39 1HB LEU 39 -0.834 0.808 -0.784 222 HG LEU 39 HG LEU 39 0.842 3.158 -1.603 223 1HD1 LEU 39 1HD1 LEU 39 2.604 1.514 -1.996 224 2HD1 LEU 39 2HD1 LEU 39 1.567 0.243 -1.346 225 3HD1 LEU 39 3HD1 LEU 39 2.131 1.545 -0.298 226 1HD2 LEU 39 1HD2 LEU 39 -0.716 2.431 -3.322 227 2HD2 LEU 39 2HD2 LEU 39 -0.164 0.766 -3.137 228 3HD2 LEU 39 3HD2 LEU 39 0.935 1.996 -3.759 229 H VAL 40 H VAL 40 -4.007 1.733 -1.288 230 HA VAL 40 HA VAL 40 -4.894 1.736 1.506 231 HB VAL 40 HB VAL 40 -6.520 1.171 -0.979 232 1HG1 VAL 40 1HG1 VAL 40 -8.445 1.539 0.502 233 2HG1 VAL 40 2HG1 VAL 40 -7.348 1.741 1.867 234 3HG1 VAL 40 3HG1 VAL 40 -7.453 0.185 1.043 235 1HG2 VAL 40 1HG2 VAL 40 -7.425 3.438 -0.690 236 2HG2 VAL 40 2HG2 VAL 40 -5.693 3.457 -1.028 237 3HG2 VAL 40 3HG2 VAL 40 -6.274 3.719 0.617 238 H VAL 41 H VAL 41 -4.597 -0.064 2.609 239 HA VAL 41 HA VAL 41 -4.230 -2.580 1.157 240 HB VAL 41 HB VAL 41 -3.764 -2.151 4.102 241 1HG1 VAL 41 1HG1 VAL 41 -2.234 -4.051 3.821 242 2HG1 VAL 41 2HG1 VAL 41 -2.686 -4.150 2.119 243 3HG1 VAL 41 3HG1 VAL 41 -3.890 -4.459 3.372 244 1HG2 VAL 41 1HG2 VAL 41 -1.771 -1.759 1.871 245 2HG2 VAL 41 2HG2 VAL 41 -1.401 -1.757 3.596 246 3HG2 VAL 41 3HG2 VAL 41 -2.426 -0.494 2.913 247 H ARG 42 H ARG 42 -5.848 -3.922 1.006 248 HA ARG 42 HA ARG 42 -8.107 -3.676 2.868 249 1HB ARG 42 2HB ARG 42 -7.929 -4.959 0.136 250 2HB ARG 42 1HB ARG 42 -9.378 -4.880 1.127 251 1HG ARG 42 2HG ARG 42 -9.509 -2.520 0.904 252 2HG ARG 42 1HG ARG 42 -7.902 -2.437 0.177 253 1HD ARG 42 2HD ARG 42 -10.262 -3.863 -1.039 254 2HD ARG 42 1HD ARG 42 -9.757 -2.226 -1.462 255 HE ARG 42 HE ARG 42 -7.721 -3.145 -2.355 256 1HH1 ARG 42 1HH1 ARG 42 -10.229 -5.463 -1.605 257 2HH1 ARG 42 2HH1 ARG 42 -9.562 -6.720 -2.600 258 1HH2 ARG 42 1HH2 ARG 42 -6.851 -4.789 -3.704 259 2HH2 ARG 42 2HH2 ARG 42 -7.644 -6.327 -3.793 260 H ASP 43 H ASP 43 -9.271 -5.784 3.269 261 HA ASP 43 HA ASP 43 -7.297 -7.797 4.054 262 1HB ASP 43 2HB ASP 43 -8.758 -8.467 5.717 263 2HB ASP 43 1HB ASP 43 -9.215 -6.775 5.572 264 H THR 44 H THR 44 -8.895 -10.016 4.179 265 HA THR 44 HA THR 44 -8.682 -11.019 1.558 266 HB THR 44 HB THR 44 -9.915 -13.014 2.515 267 HG1 THR 44 HG1 THR 44 -10.454 -11.211 4.451 268 1HG2 THR 44 1HG2 THR 44 -7.490 -11.995 4.001 269 2HG2 THR 44 2HG2 THR 44 -7.482 -12.899 2.487 270 3HG2 THR 44 3HG2 THR 44 -8.045 -13.668 3.970 271 H GLU 45 H GLU 45 -11.352 -9.469 3.240 272 HA GLU 45 HA GLU 45 -13.249 -10.522 1.274 273 1HB GLU 45 2HB GLU 45 -13.772 -10.515 3.720 274 2HB GLU 45 1HB GLU 45 -13.743 -8.762 3.678 275 1HG GLU 45 2HG GLU 45 -16.012 -9.519 3.604 276 2HG GLU 45 1HG GLU 45 -15.593 -8.804 2.048 277 H GLY 46 H GLY 46 -11.250 -7.842 1.773 278 1HA GLY 46 2HA GLY 46 -10.984 -6.244 -0.003 279 2HA GLY 46 1HA GLY 46 -12.707 -6.371 -0.321 280 H ARG 47 H ARG 47 -11.904 -6.231 2.976 281 HA ARG 47 HA ARG 47 -13.139 -3.650 3.279 282 1HB ARG 47 2HB ARG 47 -11.903 -5.647 5.160 283 2HB ARG 47 1HB ARG 47 -12.371 -4.056 5.719 284 1HG ARG 47 2HG ARG 47 -14.034 -5.767 6.222 285 2HG ARG 47 1HG ARG 47 -14.687 -4.507 5.181 286 1HD ARG 47 2HD ARG 47 -13.576 -7.006 4.007 287 2HD ARG 47 1HD ARG 47 -15.183 -7.025 4.728 288 HE ARG 47 HE ARG 47 -14.417 -5.268 2.480 289 1HH1 ARG 47 1HH1 ARG 47 -16.741 -7.239 4.193 290 2HH1 ARG 47 2HH1 ARG 47 -17.925 -7.190 2.919 291 1HH2 ARG 47 1HH2 ARG 47 -15.972 -5.201 0.773 292 2HH2 ARG 47 2HH2 ARG 47 -17.495 -6.021 0.983 293 H MET 48 H MET 48 -12.077 -1.726 3.352 294 HA MET 48 HA MET 48 -9.219 -1.671 3.074 295 1HB MET 48 2HB MET 48 -11.095 0.626 3.652 296 2HB MET 48 1HB MET 48 -9.435 0.756 3.098 297 1HG MET 48 2HG MET 48 -10.029 -0.317 0.996 298 2HG MET 48 1HG MET 48 -11.696 -0.482 1.541 299 1HE MET 48 1HE MET 48 -12.941 3.194 1.669 300 2HE MET 48 2HE MET 48 -12.292 2.231 2.995 301 3HE MET 48 3HE MET 48 -13.375 1.490 1.818 302 H VAL 49 H VAL 49 -8.117 -2.373 4.790 303 HA VAL 49 HA VAL 49 -9.069 -1.813 7.475 304 HB VAL 49 HB VAL 49 -6.585 -3.329 6.661 305 1HG1 VAL 49 1HG1 VAL 49 -8.185 -3.326 9.217 306 2HG1 VAL 49 2HG1 VAL 49 -6.587 -2.617 8.982 307 3HG1 VAL 49 3HG1 VAL 49 -6.802 -4.365 8.876 308 1HG2 VAL 49 1HG2 VAL 49 -7.902 -5.367 6.898 309 2HG2 VAL 49 2HG2 VAL 49 -8.557 -4.333 5.628 310 3HG2 VAL 49 3HG2 VAL 49 -9.349 -4.405 7.203 311 H TRP 50 H TRP 50 -6.531 -0.818 5.290 312 HA TRP 50 HA TRP 50 -5.681 1.245 7.142 313 1HB TRP 50 2HB TRP 50 -4.362 -0.668 7.915 314 2HB TRP 50 1HB TRP 50 -3.789 -0.962 6.277 315 HD1 TRP 50 HD1 TRP 50 -1.645 0.281 5.536 316 HE1 TRP 50 HE1 TRP 50 -0.099 2.028 6.617 317 HE3 TRP 50 HE3 TRP 50 -4.473 1.451 9.635 318 HZ2 TRP 50 HZ2 TRP 50 -0.070 3.676 8.911 319 HZ3 TRP 50 HZ3 TRP 50 -3.609 3.119 11.225 320 HH2 TRP 50 HH2 TRP 50 -1.453 4.206 10.866 321 H ARG 51 H ARG 51 -4.493 2.899 6.130 322 HA ARG 51 HA ARG 51 -3.532 2.545 3.447 323 1HB ARG 51 2HB ARG 51 -4.832 4.518 2.569 324 2HB ARG 51 1HB ARG 51 -5.759 3.047 2.815 325 1HG ARG 51 2HG ARG 51 -6.568 3.969 4.969 326 2HG ARG 51 1HG ARG 51 -5.724 5.473 4.593 327 1HD ARG 51 2HD ARG 51 -7.094 5.872 2.698 328 2HD ARG 51 1HD ARG 51 -7.776 4.248 2.763 329 HE ARG 51 HE ARG 51 -8.254 5.952 5.077 330 1HH1 ARG 51 1HH1 ARG 51 -9.455 4.750 2.012 331 2HH1 ARG 51 2HH1 ARG 51 -11.124 5.011 2.409 332 1HH2 ARG 51 1HH2 ARG 51 -10.454 6.270 5.624 333 2HH2 ARG 51 2HH2 ARG 51 -11.695 5.857 4.473 334 H ALA 52 H ALA 52 -1.955 3.999 2.921 335 HA ALA 52 HA ALA 52 -1.456 6.228 4.747 336 1HB ALA 52 1HB ALA 52 0.618 4.117 4.148 337 2HB ALA 52 2HB ALA 52 -0.226 4.319 5.684 338 3HB ALA 52 3HB ALA 52 0.861 5.579 5.104 339 H TRP 53 H TRP 53 -0.027 7.816 3.891 340 HA TRP 53 HA TRP 53 -0.235 8.106 1.055 341 1HB TRP 53 2HB TRP 53 1.083 9.765 3.201 342 2HB TRP 53 1HB TRP 53 1.079 10.224 1.518 343 HD1 TRP 53 HD1 TRP 53 -0.876 10.414 4.552 344 HE1 TRP 53 HE1 TRP 53 -3.133 11.554 4.099 345 HE3 TRP 53 HE3 TRP 53 -0.774 10.315 -0.512 346 HZ2 TRP 53 HZ2 TRP 53 -4.680 12.312 1.854 347 HZ3 TRP 53 HZ3 TRP 53 -2.669 11.260 -1.757 348 HH2 TRP 53 HH2 TRP 53 -4.583 12.236 -0.600 349 H ASN 54 H ASN 54 2.019 9.390 0.371 350 HA ASN 54 HA ASN 54 3.931 7.174 0.162 351 1HB ASN 54 2HB ASN 54 3.198 7.765 -1.996 352 2HB ASN 54 1HB ASN 54 3.258 9.488 -1.644 353 1HD2 ASN 54 1HD2 ASN 54 5.160 6.643 -2.308 354 2HD2 ASN 54 2HD2 ASN 54 6.596 7.467 -2.800 355 H PHE 55 H PHE 55 3.686 10.604 0.827 356 HA PHE 55 HA PHE 55 6.538 10.941 1.075 357 1HB PHE 55 2HB PHE 55 5.804 13.310 1.761 358 2HB PHE 55 1HB PHE 55 5.478 12.797 0.109 359 HD1 PHE 55 HD1 PHE 55 3.266 12.617 -0.711 360 HD2 PHE 55 HD2 PHE 55 3.959 13.369 3.420 361 HE1 PHE 55 HE1 PHE 55 0.880 13.135 -0.410 362 HE2 PHE 55 HE2 PHE 55 1.575 13.887 3.729 363 HZ PHE 55 HZ PHE 55 0.032 13.769 1.810 364 H GLU 56 H GLU 56 4.589 9.413 3.040 365 HA GLU 56 HA GLU 56 5.140 10.714 5.544 366 1HB GLU 56 2HB GLU 56 4.086 7.948 4.924 367 2HB GLU 56 1HB GLU 56 4.192 8.634 6.537 368 1HG GLU 56 2HG GLU 56 2.592 9.836 4.293 369 2HG GLU 56 1HG GLU 56 1.934 8.746 5.512 370 HA PRO 57 HA PRO 57 9.326 9.427 5.981 371 1HB PRO 57 2HB PRO 57 8.670 9.382 8.882 372 2HB PRO 57 1HB PRO 57 9.960 10.239 8.029 373 1HG PRO 57 2HG PRO 57 7.827 11.555 8.912 374 2HG PRO 57 1HG PRO 57 8.546 11.948 7.339 375 1HD PRO 57 2HD PRO 57 6.075 10.381 7.956 376 2HD PRO 57 1HD PRO 57 6.374 11.544 6.649 377 H ASP 58 H ASP 58 6.704 7.610 7.400 378 HA ASP 58 HA ASP 58 8.356 5.204 7.125 379 1HB ASP 58 2HB ASP 58 7.365 4.260 9.205 380 2HB ASP 58 1HB ASP 58 8.384 5.661 9.503 381 H ALA 59 H ALA 59 6.550 6.173 5.241 382 HA ALA 59 HA ALA 59 3.871 5.467 5.531 383 1HB ALA 59 1HB ALA 59 5.435 5.384 2.960 384 2HB ALA 59 2HB ALA 59 4.879 6.870 3.725 385 3HB ALA 59 3HB ALA 59 3.707 5.680 3.163 386 H GLY 60 H GLY 60 6.502 3.627 4.016 387 1HA GLY 60 2HA GLY 60 4.897 1.377 3.416 388 2HA GLY 60 1HA GLY 60 6.654 1.425 3.411 389 H GLU 61 H GLU 61 6.642 2.317 6.290 390 HA GLU 61 HA GLU 61 6.919 -0.312 7.329 391 1HB GLU 61 2HB GLU 61 8.340 1.533 8.098 392 2HB GLU 61 1HB GLU 61 6.936 2.336 8.790 393 1HG GLU 61 2HG GLU 61 6.701 0.734 10.471 394 2HG GLU 61 1HG GLU 61 7.737 -0.423 9.638 395 H GLY 62 H GLY 62 4.451 2.186 7.620 396 1HA GLY 62 2HA GLY 62 2.832 0.804 9.513 397 2HA GLY 62 1HA GLY 62 2.291 2.076 8.423 398 H LEU 63 H LEU 63 2.862 0.941 5.982 399 HA LEU 63 HA LEU 63 0.688 -0.785 5.511 400 1HB LEU 63 2HB LEU 63 3.184 -0.444 3.839 401 2HB LEU 63 1HB LEU 63 1.641 -1.066 3.287 402 HG LEU 63 HG LEU 63 2.039 1.749 4.306 403 1HD1 LEU 63 1HD1 LEU 63 3.336 1.366 2.269 404 2HD1 LEU 63 2HD1 LEU 63 1.967 2.443 1.986 405 3HD1 LEU 63 3HD1 LEU 63 1.889 0.758 1.468 406 1HD2 LEU 63 1HD2 LEU 63 -0.230 0.418 2.833 407 2HD2 LEU 63 2HD2 LEU 63 -0.123 2.140 3.200 408 3HD2 LEU 63 3HD2 LEU 63 -0.244 0.963 4.509 409 H ASN 64 H ASN 64 4.176 -1.441 5.770 410 HA ASN 64 HA ASN 64 4.016 -4.239 5.497 411 1HB ASN 64 2HB ASN 64 6.050 -2.532 6.940 412 2HB ASN 64 1HB ASN 64 6.231 -4.261 6.678 413 1HD2 ASN 64 1HD2 ASN 64 7.921 -2.121 5.804 414 2HD2 ASN 64 2HD2 ASN 64 7.988 -2.211 4.079 415 H ARG 65 H ARG 65 3.523 -2.118 8.213 416 HA ARG 65 HA ARG 65 3.675 -3.943 10.323 417 1HB ARG 65 2HB ARG 65 3.220 -1.320 10.208 418 2HB ARG 65 1HB ARG 65 1.554 -1.850 10.374 419 1HG ARG 65 2HG ARG 65 2.191 -3.068 12.429 420 2HG ARG 65 1HG ARG 65 3.817 -2.397 12.281 421 1HD ARG 65 2HD ARG 65 2.505 -0.124 12.133 422 2HD ARG 65 1HD ARG 65 1.255 -1.044 12.970 423 HE ARG 65 HE ARG 65 4.002 -0.669 13.998 424 1HH1 ARG 65 1HH1 ARG 65 0.555 -1.059 14.502 425 2HH1 ARG 65 2HH1 ARG 65 0.642 -0.763 16.208 426 1HH2 ARG 65 1HH2 ARG 65 4.130 -0.298 16.235 427 2HH2 ARG 65 2HH2 ARG 65 2.694 -0.345 17.212 428 H TYR 66 H TYR 66 0.996 -3.110 8.159 429 HA TYR 66 HA TYR 66 -0.769 -5.085 9.293 430 1HB TYR 66 2HB TYR 66 -1.710 -3.153 8.140 431 2HB TYR 66 1HB TYR 66 -0.891 -3.610 6.651 432 HD1 TYR 66 HD1 TYR 66 -3.659 -4.430 8.928 433 HD2 TYR 66 HD2 TYR 66 -1.725 -5.397 5.263 434 HE1 TYR 66 HE1 TYR 66 -5.586 -5.813 8.284 435 HE2 TYR 66 HE2 TYR 66 -3.651 -6.790 4.607 436 HH TYR 66 HH TYR 66 -6.624 -6.667 6.210 437 H ILE 67 H ILE 67 1.268 -4.900 6.393 438 HA ILE 67 HA ILE 67 0.594 -7.285 5.148 439 HB ILE 67 HB ILE 67 3.274 -5.892 5.261 440 1HG1 ILE 67 2HG1 ILE 67 1.128 -5.870 3.124 441 2HG1 ILE 67 1HG1 ILE 67 1.360 -4.598 4.319 442 1HG2 ILE 67 1HG2 ILE 67 3.546 -8.239 4.612 443 2HG2 ILE 67 2HG2 ILE 67 3.889 -7.147 3.271 444 3HG2 ILE 67 3HG2 ILE 67 2.355 -8.018 3.331 445 1HD1 ILE 67 1HD1 ILE 67 3.600 -4.182 3.419 446 2HD1 ILE 67 2HD1 ILE 67 2.340 -3.973 2.202 447 3HD1 ILE 67 3HD1 ILE 67 3.330 -5.433 2.203 448 H ARG 68 H ARG 68 3.037 -6.729 7.644 449 HA ARG 68 HA ARG 68 4.226 -9.243 7.646 450 1HB ARG 68 2HB ARG 68 5.264 -7.401 8.747 451 2HB ARG 68 1HB ARG 68 3.890 -7.184 9.817 452 1HG ARG 68 2HG ARG 68 4.399 -9.209 10.986 453 2HG ARG 68 1HG ARG 68 5.670 -9.607 9.827 454 1HD ARG 68 2HD ARG 68 6.985 -7.735 10.528 455 2HD ARG 68 1HD ARG 68 5.670 -7.122 11.529 456 HE ARG 68 HE ARG 68 6.146 -8.749 13.139 457 1HH1 ARG 68 1HH1 ARG 68 8.211 -9.127 10.331 458 2HH1 ARG 68 2HH1 ARG 68 9.385 -10.097 11.164 459 1HH2 ARG 68 1HH2 ARG 68 7.686 -9.989 14.240 460 2HH2 ARG 68 2HH2 ARG 68 9.080 -10.589 13.395 461 H THR 69 H THR 69 1.295 -8.149 9.287 462 HA THR 69 HA THR 69 1.095 -10.761 10.566 463 HB THR 69 HB THR 69 -0.742 -9.547 11.883 464 HG1 THR 69 HG1 THR 69 -0.765 -7.356 11.782 465 1HG2 THR 69 1HG2 THR 69 2.126 -8.656 12.172 466 2HG2 THR 69 2HG2 THR 69 1.438 -10.136 12.840 467 3HG2 THR 69 3HG2 THR 69 0.893 -8.564 13.427 468 H SER 70 H SER 70 0.338 -9.973 7.717 469 HA SER 70 HA SER 70 -2.288 -11.268 7.834 470 1HB SER 70 2HB SER 70 -1.707 -8.894 6.049 471 2HB SER 70 1HB SER 70 -3.244 -9.742 6.218 472 HG SER 70 HG SER 70 -1.922 -8.083 8.090 473 H GLY 71 H GLY 71 0.183 -10.042 5.625 474 1HA GLY 71 2HA GLY 71 0.808 -10.742 3.505 475 2HA GLY 71 1HA GLY 71 1.119 -12.223 4.388 476 H ILE 72 H ILE 72 -1.318 -10.512 2.418 477 HA ILE 72 HA ILE 72 -3.063 -12.829 2.491 478 HB ILE 72 HB ILE 72 -3.391 -10.257 0.928 479 1HG1 ILE 72 2HG1 ILE 72 -3.168 -9.804 3.322 480 2HG1 ILE 72 1HG1 ILE 72 -4.821 -9.522 2.789 481 1HG2 ILE 72 1HG2 ILE 72 -4.816 -12.072 0.122 482 2HG2 ILE 72 2HG2 ILE 72 -5.767 -10.813 0.908 483 3HG2 ILE 72 3HG2 ILE 72 -5.428 -12.322 1.758 484 1HD1 ILE 72 1HD1 ILE 72 -5.497 -11.665 3.726 485 2HD1 ILE 72 2HD1 ILE 72 -4.747 -10.641 4.952 486 3HD1 ILE 72 3HD1 ILE 72 -3.836 -11.970 4.234 487 H ARG 73 H ARG 73 -0.315 -12.406 0.903 488 HA ARG 73 HA ARG 73 -1.056 -13.010 -1.799 489 1HB ARG 73 2HB ARG 73 1.019 -11.872 -1.433 490 2HB ARG 73 1HB ARG 73 1.594 -13.153 -0.375 491 1HG ARG 73 2HG ARG 73 1.745 -14.689 -2.169 492 2HG ARG 73 1HG ARG 73 0.911 -13.585 -3.252 493 1HD ARG 73 2HD ARG 73 2.861 -11.986 -2.825 494 2HD ARG 73 1HD ARG 73 3.688 -13.381 -2.131 495 HE ARG 73 HE ARG 73 2.778 -13.177 -4.937 496 1HH1 ARG 73 1HH1 ARG 73 4.960 -14.472 -2.512 497 2HH1 ARG 73 2HH1 ARG 73 5.980 -15.256 -3.678 498 1HH2 ARG 73 1HH2 ARG 73 4.125 -14.214 -6.452 499 2HH2 ARG 73 2HH2 ARG 73 5.501 -15.125 -5.901 500 H THR 74 H THR 74 0.861 -14.880 0.525 501 HA THR 74 HA THR 74 0.657 -17.325 -0.867 502 HB THR 74 HB THR 74 1.337 -16.816 2.045 503 HG1 THR 74 HG1 THR 74 3.305 -17.302 0.117 504 1HG2 THR 74 1HG2 THR 74 2.543 -18.935 1.951 505 2HG2 THR 74 2HG2 THR 74 2.027 -19.170 0.280 506 3HG2 THR 74 3HG2 THR 74 0.835 -19.178 1.580 507 H ASP 75 H ASP 75 -1.596 -15.614 0.725 508 HA ASP 75 HA ASP 75 -3.548 -15.947 1.787 509 1HB ASP 75 2HB ASP 75 -4.218 -17.311 -0.017 510 2HB ASP 75 1HB ASP 75 -3.278 -18.674 0.568
Contact the webmaster for help, if required. Saturday, May 18, 2024 12:01:57 PM GMT (wattos1)