NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
618833 | 5up5 | 30242 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA THR 1 HA THR 1 0.603 0.289 -1.507 2 HB THR 1 HB THR 1 2.738 1.520 0.291 3 HG1 THR 1 HG1 THR 1 0.453 2.571 -1.041 4 HG21 THR 1 1HG2 THR 1 3.659 0.832 -1.917 5 HG22 THR 1 2HG2 THR 1 3.597 2.588 -1.772 6 HG23 THR 1 3HG2 THR 1 2.383 1.742 -2.734 7 H GLN 2 H GLN 2 1.310 -1.553 -2.417 8 HA GLN 2 HA GLN 2 3.488 -3.163 -1.328 9 HB2 GLN 2 2HB GLN 2 1.459 -3.913 -0.043 10 HB3 GLN 2 1HB GLN 2 0.645 -4.267 -1.559 11 HG2 GLN 2 2HG GLN 2 1.404 -6.356 -0.730 12 HG3 GLN 2 1HG GLN 2 2.492 -5.940 -2.051 13 HE21 GLN 2 1HE2 GLN 2 2.568 -4.658 1.263 14 HE22 GLN 2 2HE2 GLN 2 4.092 -5.354 1.681 15 H THR 3 H THR 3 4.646 -3.555 -3.135 16 HA THR 3 HA THR 3 3.569 -3.460 -5.793 17 HB THR 3 HB THR 3 5.925 -4.060 -6.487 18 HG1 THR 3 HG1 THR 3 6.539 -5.327 -4.713 19 HG21 THR 3 1HG2 THR 3 7.025 -2.001 -5.661 20 HG22 THR 3 2HG2 THR 3 5.757 -1.810 -4.451 21 HG23 THR 3 3HG2 THR 3 5.358 -1.681 -6.164 22 H GLN 4 H GLN 4 2.309 -5.121 -6.484 23 HA GLN 4 HA GLN 4 3.290 -7.905 -6.140 24 HB2 GLN 4 2HB GLN 4 1.107 -7.543 -5.009 25 HB3 GLN 4 1HB GLN 4 0.410 -6.958 -6.513 26 HG2 GLN 4 2HG GLN 4 -0.294 -9.253 -6.083 27 HG3 GLN 4 1HG GLN 4 0.696 -9.181 -7.536 28 HE21 GLN 4 1HE2 GLN 4 2.777 -10.142 -7.505 29 HE22 GLN 4 2HE2 GLN 4 3.250 -11.267 -6.282 30 H GLU 5 H GLU 5 4.289 -8.476 -7.964 31 HA GLU 5 HA GLU 5 3.465 -7.508 -10.584 32 HB2 GLU 5 2HB GLU 5 5.399 -8.727 -11.430 33 HB3 GLU 5 1HB GLU 5 5.886 -7.824 -9.999 34 HG2 GLU 5 2HG GLU 5 5.563 -9.984 -8.678 35 HG3 GLU 5 1HG GLU 5 5.402 -10.810 -10.225 36 H PHE 6 H PHE 6 2.687 -8.887 -12.223 37 HA PHE 6 HA PHE 6 1.460 -11.425 -11.345 38 HB2 PHE 6 2HB PHE 6 0.241 -9.195 -13.031 39 HB3 PHE 6 1HB PHE 6 -0.431 -10.822 -12.986 40 HD1 PHE 6 HD1 PHE 6 0.123 -7.736 -11.010 41 HD2 PHE 6 HD2 PHE 6 -1.663 -11.621 -11.054 42 HE1 PHE 6 HE1 PHE 6 -1.171 -7.172 -8.998 43 HE2 PHE 6 HE2 PHE 6 -2.952 -11.046 -9.044 44 HZ PHE 6 HZ PHE 6 -2.712 -8.820 -8.014 45 H ASP 7 H ASP 7 0.599 -12.539 -13.384 46 HA ASP 7 HA ASP 7 2.731 -13.385 -15.045 47 HB2 ASP 7 2HB ASP 7 0.815 -14.615 -16.255 48 HB3 ASP 7 1HB ASP 7 0.975 -14.942 -14.528 49 H ASN 8 H ASN 8 2.573 -13.443 -17.453 50 HA ASN 8 HA ASN 8 1.633 -10.920 -18.681 51 HB2 ASN 8 2HB ASN 8 4.043 -11.712 -18.987 52 HB3 ASN 8 1HB ASN 8 3.415 -13.093 -19.868 53 HD21 ASN 8 1HD2 ASN 8 4.472 -12.538 -21.780 54 HD22 ASN 8 2HD2 ASN 8 4.034 -11.172 -22.743 55 H GLU 9 H GLU 9 0.105 -13.493 -17.844 56 HA GLU 9 HA GLU 9 -1.199 -14.353 -20.308 57 HB2 GLU 9 2HB GLU 9 -0.848 -15.945 -18.422 58 HB3 GLU 9 1HB GLU 9 -1.806 -14.929 -17.366 59 HG2 GLU 9 2HG GLU 9 -3.108 -16.848 -17.999 60 HG3 GLU 9 1HG GLU 9 -3.811 -15.407 -18.737 61 H GLU 10 H GLU 10 -1.300 -11.643 -18.379 62 HA GLU 10 HA GLU 10 -2.425 -9.702 -18.613 63 HB2 GLU 10 2HB GLU 10 -2.953 -10.449 -20.966 64 HB3 GLU 10 1HB GLU 10 -4.448 -11.151 -20.365 65 HG2 GLU 10 2HG GLU 10 -5.235 -8.918 -19.705 66 HG3 GLU 10 1HG GLU 10 -3.723 -8.211 -20.266 67 H GLU 11 H GLU 11 -3.083 -12.116 -16.754 68 HA GLU 11 HA GLU 11 -5.695 -11.474 -15.695 69 HB2 GLU 11 2HB GLU 11 -3.482 -13.044 -14.316 70 HB3 GLU 11 1HB GLU 11 -5.205 -13.066 -13.927 71 HG2 GLU 11 2HG GLU 11 -3.855 -14.180 -16.413 72 HG3 GLU 11 1HG GLU 11 -4.609 -15.096 -15.111 73 H ALA 12 H ALA 12 -2.743 -9.889 -15.549 74 HA ALA 12 HA ALA 12 -2.920 -8.515 -13.053 75 HB1 ALA 12 1HB ALA 12 -0.887 -8.506 -14.459 76 HB2 ALA 12 2HB ALA 12 -1.426 -6.866 -14.107 77 HB3 ALA 12 3HB ALA 12 -1.735 -7.578 -15.696 78 H ARG 13 H ARG 13 -4.344 -8.045 -16.238 79 HA ARG 13 HA ARG 13 -5.613 -5.519 -15.730 80 HB2 ARG 13 2HB ARG 13 -6.223 -7.621 -17.848 81 HB3 ARG 13 1HB ARG 13 -6.827 -5.963 -17.849 82 HG2 ARG 13 2HG ARG 13 -3.880 -6.709 -17.998 83 HG3 ARG 13 1HG ARG 13 -4.898 -6.373 -19.402 84 HD2 ARG 13 2HD ARG 13 -4.300 -4.406 -17.157 85 HD3 ARG 13 1HD ARG 13 -3.532 -4.408 -18.750 86 HE ARG 13 HE ARG 13 -6.359 -3.781 -18.172 87 HH11 ARG 13 1HH1 ARG 13 -3.722 -3.702 -20.476 88 HH12 ARG 13 2HH1 ARG 13 -4.558 -2.640 -21.559 89 HH21 ARG 13 1HH2 ARG 13 -7.426 -2.384 -19.581 90 HH22 ARG 13 2HH2 ARG 13 -6.647 -1.887 -21.050 91 H LYS 14 H LYS 14 -6.616 -8.927 -15.672 92 HA LYS 14 HA LYS 14 -9.267 -8.663 -14.778 93 HB2 LYS 14 2HB LYS 14 -8.431 -10.832 -15.499 94 HB3 LYS 14 1HB LYS 14 -7.196 -10.832 -14.247 95 HG2 LYS 14 2HG LYS 14 -8.919 -11.068 -12.507 96 HG3 LYS 14 1HG LYS 14 -10.189 -10.989 -13.733 97 HD2 LYS 14 2HD LYS 14 -9.456 -13.105 -14.702 98 HD3 LYS 14 1HD LYS 14 -8.042 -13.145 -13.644 99 HE2 LYS 14 2HE LYS 14 -10.922 -13.278 -12.678 100 HE3 LYS 14 1HE LYS 14 -9.864 -14.675 -12.893 101 HZ1 LYS 14 1HZ LYS 14 -8.337 -13.672 -11.263 102 HZ2 LYS 14 2HZ LYS 14 -9.865 -13.998 -10.610 103 HZ3 LYS 14 3HZ LYS 14 -9.443 -12.415 -11.011 104 H ALA 15 H ALA 15 -6.202 -8.799 -13.007 105 HA ALA 15 HA ALA 15 -7.199 -8.747 -10.364 106 HB1 ALA 15 1HB ALA 15 -4.913 -9.449 -10.915 107 HB2 ALA 15 2HB ALA 15 -4.908 -8.152 -9.716 108 HB3 ALA 15 3HB ALA 15 -4.513 -7.803 -11.404 109 H GLU 16 H GLU 16 -6.325 -6.149 -12.635 110 HA GLU 16 HA GLU 16 -6.639 -3.960 -10.900 111 HB2 GLU 16 2HB GLU 16 -5.631 -3.847 -13.206 112 HB3 GLU 16 1HB GLU 16 -7.237 -4.032 -13.888 113 HG2 GLU 16 2HG GLU 16 -6.471 -1.707 -12.091 114 HG3 GLU 16 1HG GLU 16 -6.238 -1.675 -13.838 115 H LYS 17 H LYS 17 -8.896 -5.663 -12.982 116 HA LYS 17 HA LYS 17 -11.189 -4.047 -12.448 117 HB2 LYS 17 2HB LYS 17 -10.680 -5.371 -14.538 118 HB3 LYS 17 1HB LYS 17 -11.022 -6.843 -13.640 119 HG2 LYS 17 2HG LYS 17 -13.371 -6.056 -13.317 120 HG3 LYS 17 1HG LYS 17 -12.990 -4.613 -14.268 121 HD2 LYS 17 2HD LYS 17 -12.380 -6.123 -16.195 122 HD3 LYS 17 1HD LYS 17 -12.927 -7.500 -15.236 123 HE2 LYS 17 2HE LYS 17 -15.205 -6.554 -15.189 124 HE3 LYS 17 1HE LYS 17 -14.654 -5.167 -16.130 125 HZ1 LYS 17 1HZ LYS 17 -15.697 -6.721 -17.573 126 HZ2 LYS 17 2HZ LYS 17 -14.743 -7.995 -17.008 127 HZ3 LYS 17 3HZ LYS 17 -14.037 -6.749 -17.902 128 H GLU 18 H GLU 18 -9.758 -6.717 -10.774 129 HA GLU 18 HA GLU 18 -12.284 -7.641 -9.564 130 HB2 GLU 18 2HB GLU 18 -10.801 -9.313 -10.618 131 HB3 GLU 18 1HB GLU 18 -9.496 -8.865 -9.528 132 HG2 GLU 18 2HG GLU 18 -10.696 -9.755 -7.625 133 HG3 GLU 18 1HG GLU 18 -12.143 -10.016 -8.600 134 H LEU 19 H LEU 19 -8.961 -6.750 -8.572 135 HA LEU 19 HA LEU 19 -9.458 -6.939 -5.771 136 HB2 LEU 19 2HB LEU 19 -7.169 -5.560 -7.205 137 HB3 LEU 19 1HB LEU 19 -7.193 -6.004 -5.502 138 HG LEU 19 HG LEU 19 -7.204 -7.947 -7.854 139 HD11 LEU 19 1HD1 LEU 19 -4.925 -8.537 -7.129 140 HD12 LEU 19 2HD1 LEU 19 -4.980 -7.270 -5.901 141 HD13 LEU 19 3HD1 LEU 19 -5.043 -6.844 -7.613 142 HD21 LEU 19 1HD2 LEU 19 -7.121 -8.538 -4.870 143 HD22 LEU 19 2HD2 LEU 19 -6.928 -9.728 -6.160 144 HD23 LEU 19 3HD2 LEU 19 -8.460 -8.881 -5.969 145 H ARG 20 H ARG 20 -9.799 -4.328 -8.093 146 HA ARG 20 HA ARG 20 -9.831 -2.077 -6.389 147 HB2 ARG 20 2HB ARG 20 -11.116 -0.935 -8.137 148 HB3 ARG 20 1HB ARG 20 -9.837 -1.905 -8.861 149 HG2 ARG 20 2HG ARG 20 -11.478 -3.656 -9.447 150 HG3 ARG 20 1HG ARG 20 -12.771 -2.702 -8.710 151 HD2 ARG 20 2HD ARG 20 -11.076 -1.841 -11.088 152 HD3 ARG 20 1HD ARG 20 -12.718 -2.491 -11.179 153 HE ARG 20 HE ARG 20 -13.187 -0.448 -9.603 154 HH11 ARG 20 1HH1 ARG 20 -11.038 -0.455 -12.380 155 HH12 ARG 20 2HH1 ARG 20 -11.378 1.201 -12.777 156 HH21 ARG 20 1HH2 ARG 20 -13.579 1.698 -10.108 157 HH22 ARG 20 2HH2 ARG 20 -12.803 2.421 -11.481 158 H LYS 21 H LYS 21 -12.124 -4.640 -6.749 159 HA LYS 21 HA LYS 21 -14.441 -3.231 -5.693 160 HB2 LYS 21 2HB LYS 21 -14.066 -6.201 -6.286 161 HB3 LYS 21 1HB LYS 21 -15.599 -5.378 -5.986 162 HG2 LYS 21 2HG LYS 21 -15.240 -4.040 -8.066 163 HG3 LYS 21 1HG LYS 21 -13.761 -4.961 -8.370 164 HD2 LYS 21 2HD LYS 21 -15.084 -7.042 -8.532 165 HD3 LYS 21 1HD LYS 21 -16.563 -6.141 -8.179 166 HE2 LYS 21 2HE LYS 21 -14.800 -5.833 -10.632 167 HE3 LYS 21 1HE LYS 21 -16.411 -6.548 -10.571 168 HZ1 LYS 21 1HZ LYS 21 -17.282 -4.384 -9.893 169 HZ2 LYS 21 2HZ LYS 21 -16.522 -4.311 -11.397 170 HZ3 LYS 21 3HZ LYS 21 -15.740 -3.705 -10.028 171 H GLU 22 H GLU 22 -11.729 -4.324 -4.196 172 HA GLU 22 HA GLU 22 -13.095 -4.960 -1.662 173 HB2 GLU 22 2HB GLU 22 -12.601 -7.121 -2.830 174 HB3 GLU 22 1HB GLU 22 -10.896 -6.684 -2.898 175 HG2 GLU 22 2HG GLU 22 -10.820 -6.698 -0.408 176 HG3 GLU 22 1HG GLU 22 -12.520 -7.176 -0.381 177 H ASN 23 H ASN 23 -9.779 -4.952 -2.992 178 HA ASN 23 HA ASN 23 -8.482 -3.698 -0.833 179 HB2 ASN 23 2HB ASN 23 -7.252 -5.024 -2.485 180 HB3 ASN 23 1HB ASN 23 -7.728 -3.937 -3.783 181 HD21 ASN 23 1HD2 ASN 23 -5.779 -4.185 -0.862 182 HD22 ASN 23 2HD2 ASN 23 -4.660 -2.940 -1.286 183 H ARG 24 H ARG 24 -7.528 -1.585 -0.708 184 HA ARG 24 HA ARG 24 -9.171 0.605 -0.958 185 HB2 ARG 24 2HB ARG 24 -7.196 0.592 0.494 186 HB3 ARG 24 1HB ARG 24 -6.124 0.496 -0.897 187 HG2 ARG 24 2HG ARG 24 -6.078 2.745 -0.018 188 HG3 ARG 24 1HG ARG 24 -6.852 2.774 -1.604 189 HD2 ARG 24 2HD ARG 24 -9.080 2.807 -0.450 190 HD3 ARG 24 1HD ARG 24 -8.231 2.902 1.102 191 HE ARG 24 HE ARG 24 -7.614 4.935 -0.912 192 HH11 ARG 24 1HH1 ARG 24 -9.324 4.201 2.063 193 HH12 ARG 24 2HH1 ARG 24 -9.582 5.871 2.451 194 HH21 ARG 24 1HH2 ARG 24 -7.957 7.100 -0.395 195 HH22 ARG 24 2HH2 ARG 24 -8.801 7.514 1.064 196 H ARG 25 H ARG 25 -6.218 0.263 -2.970 197 HA ARG 25 HA ARG 25 -7.623 0.477 -5.445 198 HB2 ARG 25 2HB ARG 25 -7.621 2.893 -4.808 199 HB3 ARG 25 1HB ARG 25 -5.867 2.856 -4.664 200 HG2 ARG 25 2HG ARG 25 -5.639 2.413 -7.064 201 HG3 ARG 25 1HG ARG 25 -7.393 2.316 -7.236 202 HD2 ARG 25 2HD ARG 25 -5.861 4.801 -6.387 203 HD3 ARG 25 1HD ARG 25 -6.456 4.480 -8.020 204 HE ARG 25 HE ARG 25 -8.532 4.368 -6.018 205 HH11 ARG 25 1HH1 ARG 25 -6.736 6.562 -8.087 206 HH12 ARG 25 2HH1 ARG 25 -7.974 7.773 -8.081 207 HH21 ARG 25 1HH2 ARG 25 -10.158 5.966 -6.039 208 HH22 ARG 25 2HH2 ARG 25 -9.914 7.437 -6.930 209 H VAL 26 H VAL 26 -6.419 -0.346 -7.048 210 HA VAL 26 HA VAL 26 -3.648 -1.182 -6.515 211 HB VAL 26 HB VAL 26 -3.958 -2.828 -8.293 212 HG11 VAL 26 1HG1 VAL 26 -5.705 -4.261 -7.302 213 HG12 VAL 26 2HG1 VAL 26 -6.346 -2.876 -6.416 214 HG13 VAL 26 3HG1 VAL 26 -4.735 -3.484 -6.051 215 HG21 VAL 26 1HG2 VAL 26 -5.372 -1.600 -9.869 216 HG22 VAL 26 2HG2 VAL 26 -6.719 -1.631 -8.727 217 HG23 VAL 26 3HG2 VAL 26 -6.143 -3.129 -9.448 218 H THR 27 H THR 27 -1.987 -0.604 -7.958 219 HA THR 27 HA THR 27 -2.623 1.370 -10.093 220 HB THR 27 HB THR 27 -0.150 1.258 -8.291 221 HG1 THR 27 HG1 THR 27 -2.046 3.364 -8.458 222 HG21 THR 27 1HG2 THR 27 0.478 2.066 -10.553 223 HG22 THR 27 2HG2 THR 27 0.542 3.383 -9.384 224 HG23 THR 27 3HG2 THR 27 -0.827 3.265 -10.486 225 H VAL 28 H VAL 28 -2.526 0.134 -11.930 226 HA VAL 28 HA VAL 28 -0.595 -1.996 -12.281 227 HB VAL 28 HB VAL 28 -2.820 -2.344 -13.213 228 HG11 VAL 28 1HG1 VAL 28 -3.491 -0.015 -13.691 229 HG12 VAL 28 2HG1 VAL 28 -3.747 -1.044 -15.102 230 HG13 VAL 28 3HG1 VAL 28 -2.358 0.043 -15.045 231 HG21 VAL 28 1HG2 VAL 28 -0.775 -2.066 -15.452 232 HG22 VAL 28 2HG2 VAL 28 -2.235 -3.054 -15.521 233 HG23 VAL 28 3HG2 VAL 28 -0.951 -3.457 -14.378 234 H THR 29 H THR 29 1.430 -1.686 -12.985 235 HA THR 29 HA THR 29 2.061 0.469 -14.889 236 HB THR 29 HB THR 29 3.665 -0.045 -12.339 237 HG1 THR 29 HG1 THR 29 1.524 1.285 -12.446 238 HG21 THR 29 1HG2 THR 29 4.095 2.042 -14.518 239 HG22 THR 29 2HG2 THR 29 5.117 0.630 -14.244 240 HG23 THR 29 3HG2 THR 29 5.028 1.903 -13.026 241 H GLN 30 H GLN 30 2.684 -0.685 -16.605 242 HA GLN 30 HA GLN 30 4.689 -2.841 -16.346 243 HB2 GLN 30 2HB GLN 30 4.174 -3.260 -18.790 244 HB3 GLN 30 1HB GLN 30 2.813 -3.526 -17.707 245 HG2 GLN 30 2HG GLN 30 1.808 -1.401 -18.383 246 HG3 GLN 30 1HG GLN 30 3.206 -1.024 -19.388 247 HE21 GLN 30 1HE2 GLN 30 0.432 -1.201 -20.201 248 HE22 GLN 30 2HE2 GLN 30 0.343 -2.428 -21.413 249 H GLU 31 H GLU 31 6.050 -1.012 -15.601 250 HA GLU 31 HA GLU 31 6.793 1.318 -16.810 251 HB2 GLU 31 2HB GLU 31 7.536 0.688 -14.571 252 HB3 GLU 31 1HB GLU 31 8.504 -0.634 -15.213 253 HG2 GLU 31 2HG GLU 31 9.947 1.081 -16.366 254 HG3 GLU 31 1HG GLU 31 9.031 2.335 -15.533 255 H ASN 32 H ASN 32 8.498 -1.773 -17.255 256 HA ASN 32 HA ASN 32 9.352 -1.017 -19.971 257 HB2 ASN 32 2HB ASN 32 11.208 -0.467 -18.337 258 HB3 ASN 32 1HB ASN 32 11.217 -2.150 -17.821 259 HD21 ASN 32 1HD2 ASN 32 11.885 0.032 -20.501 260 HD22 ASN 32 2HD2 ASN 32 12.971 -1.024 -21.331 261 H GLY 33 H GLY 33 7.245 -2.442 -19.784 262 HA2 GLY 33 2HA GLY 33 6.161 -4.489 -19.927 263 HA3 GLY 33 1HA GLY 33 7.729 -5.304 -19.931 264 H ARG 34 H ARG 34 6.536 -6.783 -18.433 265 HA ARG 34 HA ARG 34 6.300 -7.758 -16.418 266 HB2 ARG 34 2HB ARG 34 8.666 -7.042 -16.097 267 HB3 ARG 34 1HB ARG 34 8.106 -5.524 -15.405 268 HG2 ARG 34 2HG ARG 34 7.053 -6.810 -13.531 269 HG3 ARG 34 1HG ARG 34 7.718 -8.296 -14.214 270 HD2 ARG 34 2HD ARG 34 9.999 -7.423 -13.904 271 HD3 ARG 34 1HD ARG 34 9.339 -5.915 -13.256 272 HE ARG 34 HE ARG 34 8.502 -8.301 -11.842 273 HH11 ARG 34 1HH1 ARG 34 10.921 -5.749 -11.935 274 HH12 ARG 34 2HH1 ARG 34 11.457 -6.070 -10.317 275 HH21 ARG 34 1HH2 ARG 34 9.244 -8.685 -9.748 276 HH22 ARG 34 2HH2 ARG 34 10.518 -7.701 -9.096 277 H TRP 35 H TRP 35 4.185 -7.583 -15.955 278 HA TRP 35 HA TRP 35 2.758 -5.188 -15.423 279 HB2 TRP 35 2HB TRP 35 1.944 -8.098 -14.986 280 HB3 TRP 35 1HB TRP 35 0.847 -6.724 -14.987 281 HD1 TRP 35 HD1 TRP 35 2.758 -9.021 -17.373 282 HE1 TRP 35 HE1 TRP 35 1.952 -8.591 -19.775 283 HE3 TRP 35 HE3 TRP 35 -0.103 -4.858 -16.539 284 HZ2 TRP 35 HZ2 TRP 35 0.333 -6.747 -21.140 285 HZ3 TRP 35 HZ3 TRP 35 -1.254 -3.819 -18.455 286 HH2 TRP 35 HH2 TRP 35 -1.038 -4.750 -20.708 287 H ARG 36 H ARG 36 3.988 -4.291 -13.653 288 HA ARG 36 HA ARG 36 3.754 -5.543 -11.009 289 HB2 ARG 36 2HB ARG 36 5.271 -3.099 -11.999 290 HB3 ARG 36 1HB ARG 36 5.162 -3.529 -10.289 291 HG2 ARG 36 2HG ARG 36 6.219 -5.707 -10.769 292 HG3 ARG 36 1HG ARG 36 6.352 -5.271 -12.476 293 HD2 ARG 36 2HD ARG 36 7.628 -3.658 -10.237 294 HD3 ARG 36 1HD ARG 36 8.455 -4.982 -11.057 295 HE ARG 36 HE ARG 36 7.674 -3.356 -13.097 296 HH11 ARG 36 1HH1 ARG 36 9.500 -2.730 -10.147 297 HH12 ARG 36 2HH1 ARG 36 10.519 -1.551 -10.905 298 HH21 ARG 36 1HH2 ARG 36 9.051 -1.847 -14.040 299 HH22 ARG 36 2HH2 ARG 36 10.265 -1.052 -13.092 300 H VAL 37 H VAL 37 1.699 -5.378 -10.403 301 HA VAL 37 HA VAL 37 0.279 -2.801 -10.462 302 HB VAL 37 HB VAL 37 -0.817 -5.551 -9.726 303 HG11 VAL 37 1HG1 VAL 37 -3.041 -4.510 -10.067 304 HG12 VAL 37 2HG1 VAL 37 -2.263 -2.957 -10.376 305 HG13 VAL 37 3HG1 VAL 37 -2.139 -3.702 -8.781 306 HG21 VAL 37 1HG2 VAL 37 -0.057 -5.568 -12.074 307 HG22 VAL 37 2HG2 VAL 37 -0.989 -4.104 -12.400 308 HG23 VAL 37 3HG2 VAL 37 -1.822 -5.606 -11.996 309 H THR 38 H THR 38 1.017 -1.620 -8.770 310 HA THR 38 HA THR 38 1.554 -2.740 -6.142 311 HB THR 38 HB THR 38 1.614 0.164 -7.088 312 HG1 THR 38 HG1 THR 38 3.111 -1.265 -8.164 313 HG21 THR 38 1HG2 THR 38 2.839 -1.082 -4.585 314 HG22 THR 38 2HG2 THR 38 1.450 0.005 -4.614 315 HG23 THR 38 3HG2 THR 38 3.038 0.595 -5.106 316 H TRP 39 H TRP 39 -0.268 -3.329 -5.057 317 HA TRP 39 HA TRP 39 -2.652 -1.617 -5.007 318 HB2 TRP 39 2HB TRP 39 -3.714 -3.499 -3.771 319 HB3 TRP 39 1HB TRP 39 -3.096 -3.974 -5.342 320 HD1 TRP 39 HD1 TRP 39 -1.072 -5.730 -5.402 321 HE1 TRP 39 HE1 TRP 39 -0.237 -7.433 -3.665 322 HE3 TRP 39 HE3 TRP 39 -3.279 -3.808 -1.214 323 HZ2 TRP 39 HZ2 TRP 39 -0.466 -7.903 -0.910 324 HZ3 TRP 39 HZ3 TRP 39 -2.920 -4.936 0.936 325 HH2 TRP 39 HH2 TRP 39 -1.538 -6.948 1.090 326 H ASP 40 H ASP 40 -3.534 -0.800 -3.051 327 HA ASP 40 HA ASP 40 -1.434 -0.019 -1.189 328 HB2 ASP 40 2HB ASP 40 -2.931 1.724 -2.149 329 HB3 ASP 40 1HB ASP 40 -4.318 0.965 -1.353 Start of MODEL 2 1 HA THR 1 HA THR 1 3.683 -11.447 -2.112 2 HB THR 1 HB THR 1 4.137 -9.634 0.302 3 HG1 THR 1 HG1 THR 1 4.645 -12.417 0.315 4 HG21 THR 1 1HG2 THR 1 1.798 -10.443 0.122 5 HG22 THR 1 2HG2 THR 1 2.626 -11.185 1.490 6 HG23 THR 1 3HG2 THR 1 2.376 -12.109 0.007 7 H GLN 2 H GLN 2 3.638 -8.054 -0.850 8 HA GLN 2 HA GLN 2 1.140 -7.427 -2.035 9 HB2 GLN 2 2HB GLN 2 1.422 -5.181 -1.223 10 HB3 GLN 2 1HB GLN 2 2.109 -6.251 -0.011 11 HG2 GLN 2 2HG GLN 2 3.712 -4.644 -2.033 12 HG3 GLN 2 1HG GLN 2 3.433 -4.177 -0.359 13 HE21 GLN 2 1HE2 GLN 2 5.959 -4.613 -1.743 14 HE22 GLN 2 2HE2 GLN 2 6.793 -5.843 -0.858 15 H THR 3 H THR 3 4.476 -6.961 -3.082 16 HA THR 3 HA THR 3 3.723 -5.719 -5.618 17 HB THR 3 HB THR 3 6.268 -5.870 -6.004 18 HG1 THR 3 HG1 THR 3 7.012 -6.100 -3.456 19 HG21 THR 3 1HG2 THR 3 6.823 -4.022 -4.473 20 HG22 THR 3 2HG2 THR 3 5.361 -4.335 -3.533 21 HG23 THR 3 3HG2 THR 3 5.240 -3.769 -5.204 22 H GLN 4 H GLN 4 2.564 -7.365 -6.710 23 HA GLN 4 HA GLN 4 4.003 -9.886 -7.310 24 HB2 GLN 4 2HB GLN 4 1.754 -10.218 -6.381 25 HB3 GLN 4 1HB GLN 4 1.055 -9.177 -7.617 26 HG2 GLN 4 2HG GLN 4 0.643 -11.534 -8.122 27 HG3 GLN 4 1HG GLN 4 1.656 -10.797 -9.360 28 HE21 GLN 4 1HE2 GLN 4 2.529 -12.732 -10.055 29 HE22 GLN 4 2HE2 GLN 4 3.621 -13.679 -9.111 30 H GLU 5 H GLU 5 5.093 -9.883 -9.154 31 HA GLU 5 HA GLU 5 4.476 -7.998 -11.282 32 HB2 GLU 5 2HB GLU 5 6.559 -8.875 -12.411 33 HB3 GLU 5 1HB GLU 5 6.827 -8.093 -10.859 34 HG2 GLU 5 2HG GLU 5 6.714 -11.109 -11.216 35 HG3 GLU 5 1HG GLU 5 8.201 -10.169 -11.345 36 H PHE 6 H PHE 6 2.609 -8.664 -12.144 37 HA PHE 6 HA PHE 6 2.168 -11.319 -13.168 38 HB2 PHE 6 2HB PHE 6 0.680 -8.711 -13.646 39 HB3 PHE 6 1HB PHE 6 0.150 -10.280 -14.241 40 HD1 PHE 6 HD1 PHE 6 0.245 -8.050 -11.345 41 HD2 PHE 6 HD2 PHE 6 -0.575 -12.046 -12.611 42 HE1 PHE 6 HE1 PHE 6 -1.055 -8.446 -9.288 43 HE2 PHE 6 HE2 PHE 6 -1.880 -12.424 -10.561 44 HZ PHE 6 HZ PHE 6 -2.130 -10.628 -8.901 45 H ASP 7 H ASP 7 2.087 -11.907 -15.308 46 HA ASP 7 HA ASP 7 3.869 -10.488 -17.164 47 HB2 ASP 7 2HB ASP 7 4.114 -12.971 -16.534 48 HB3 ASP 7 1HB ASP 7 2.590 -13.265 -17.368 49 H ASN 8 H ASN 8 2.883 -11.121 -19.621 50 HA ASN 8 HA ASN 8 0.489 -9.546 -19.956 51 HB2 ASN 8 2HB ASN 8 0.816 -10.133 -22.410 52 HB3 ASN 8 1HB ASN 8 2.153 -9.311 -21.637 53 HD21 ASN 8 1HD2 ASN 8 1.665 -12.835 -21.238 54 HD22 ASN 8 2HD2 ASN 8 3.027 -13.274 -22.192 55 H GLU 9 H GLU 9 0.342 -12.278 -18.554 56 HA GLU 9 HA GLU 9 -1.425 -13.919 -20.119 57 HB2 GLU 9 2HB GLU 9 -0.865 -14.052 -17.123 58 HB3 GLU 9 1HB GLU 9 -1.527 -15.337 -18.133 59 HG2 GLU 9 2HG GLU 9 1.294 -14.206 -18.257 60 HG3 GLU 9 1HG GLU 9 0.814 -15.755 -17.569 61 H GLU 10 H GLU 10 -1.962 -11.002 -18.774 62 HA GLU 10 HA GLU 10 -3.766 -9.715 -18.425 63 HB2 GLU 10 2HB GLU 10 -4.689 -11.021 -20.376 64 HB3 GLU 10 1HB GLU 10 -5.433 -12.130 -19.232 65 HG2 GLU 10 2HG GLU 10 -6.760 -10.156 -18.342 66 HG3 GLU 10 1HG GLU 10 -6.117 -9.210 -19.686 67 H GLU 11 H GLU 11 -2.760 -11.925 -16.428 68 HA GLU 11 HA GLU 11 -4.861 -12.275 -14.513 69 HB2 GLU 11 2HB GLU 11 -1.839 -12.533 -14.190 70 HB3 GLU 11 1HB GLU 11 -3.038 -13.078 -13.016 71 HG2 GLU 11 2HG GLU 11 -3.917 -14.697 -14.648 72 HG3 GLU 11 1HG GLU 11 -2.746 -14.145 -15.846 73 H ALA 12 H ALA 12 -2.488 -9.828 -15.178 74 HA ALA 12 HA ALA 12 -2.548 -8.251 -12.848 75 HB1 ALA 12 1HB ALA 12 -2.238 -7.365 -15.747 76 HB2 ALA 12 2HB ALA 12 -0.930 -7.882 -14.681 77 HB3 ALA 12 3HB ALA 12 -1.816 -6.400 -14.327 78 H ARG 13 H ARG 13 -4.578 -8.265 -15.737 79 HA ARG 13 HA ARG 13 -6.262 -6.064 -14.928 80 HB2 ARG 13 2HB ARG 13 -6.510 -8.014 -17.260 81 HB3 ARG 13 1HB ARG 13 -7.479 -6.555 -17.047 82 HG2 ARG 13 2HG ARG 13 -4.471 -6.665 -17.479 83 HG3 ARG 13 1HG ARG 13 -5.684 -6.186 -18.671 84 HD2 ARG 13 2HD ARG 13 -6.240 -4.199 -17.401 85 HD3 ARG 13 1HD ARG 13 -5.232 -4.717 -16.043 86 HE ARG 13 HE ARG 13 -3.807 -4.410 -18.547 87 HH11 ARG 13 1HH1 ARG 13 -4.840 -2.682 -15.643 88 HH12 ARG 13 2HH1 ARG 13 -3.562 -1.512 -15.781 89 HH21 ARG 13 1HH2 ARG 13 -2.143 -2.889 -18.667 90 HH22 ARG 13 2HH2 ARG 13 -2.047 -1.628 -17.476 91 H LYS 14 H LYS 14 -6.348 -9.535 -14.659 92 HA LYS 14 HA LYS 14 -9.126 -9.829 -14.027 93 HB2 LYS 14 2HB LYS 14 -7.810 -11.731 -14.849 94 HB3 LYS 14 1HB LYS 14 -6.734 -11.631 -13.459 95 HG2 LYS 14 2HG LYS 14 -8.505 -12.326 -11.953 96 HG3 LYS 14 1HG LYS 14 -9.701 -12.263 -13.252 97 HD2 LYS 14 2HD LYS 14 -7.307 -14.153 -13.175 98 HD3 LYS 14 1HD LYS 14 -8.950 -14.592 -12.692 99 HE2 LYS 14 2HE LYS 14 -8.072 -13.729 -15.477 100 HE3 LYS 14 1HE LYS 14 -8.470 -15.373 -14.964 101 HZ1 LYS 14 1HZ LYS 14 -10.729 -14.599 -14.477 102 HZ2 LYS 14 2HZ LYS 14 -10.318 -14.395 -16.102 103 HZ3 LYS 14 3HZ LYS 14 -10.332 -13.062 -15.065 104 H ALA 15 H ALA 15 -6.134 -9.603 -12.101 105 HA ALA 15 HA ALA 15 -7.249 -9.710 -9.507 106 HB1 ALA 15 1HB ALA 15 -4.828 -9.998 -9.906 107 HB2 ALA 15 2HB ALA 15 -5.117 -8.698 -8.747 108 HB3 ALA 15 3HB ALA 15 -4.704 -8.315 -10.420 109 H GLU 16 H GLU 16 -6.324 -6.964 -11.542 110 HA GLU 16 HA GLU 16 -7.172 -4.747 -10.163 111 HB2 GLU 16 2HB GLU 16 -5.976 -4.584 -12.272 112 HB3 GLU 16 1HB GLU 16 -7.266 -5.411 -13.130 113 HG2 GLU 16 2HG GLU 16 -8.725 -3.363 -12.611 114 HG3 GLU 16 1HG GLU 16 -7.242 -2.570 -12.082 115 H LYS 17 H LYS 17 -9.133 -6.968 -12.106 116 HA LYS 17 HA LYS 17 -11.487 -5.387 -12.264 117 HB2 LYS 17 2HB LYS 17 -10.734 -7.217 -13.842 118 HB3 LYS 17 1HB LYS 17 -11.260 -8.396 -12.650 119 HG2 LYS 17 2HG LYS 17 -13.577 -7.629 -12.863 120 HG3 LYS 17 1HG LYS 17 -13.075 -6.339 -13.961 121 HD2 LYS 17 2HD LYS 17 -12.890 -9.337 -14.501 122 HD3 LYS 17 1HD LYS 17 -14.051 -8.217 -15.228 123 HE2 LYS 17 2HE LYS 17 -11.030 -8.202 -15.616 124 HE3 LYS 17 1HE LYS 17 -12.237 -8.691 -16.804 125 HZ1 LYS 17 1HZ LYS 17 -11.400 -6.449 -17.194 126 HZ2 LYS 17 2HZ LYS 17 -11.956 -5.948 -15.684 127 HZ3 LYS 17 3HZ LYS 17 -13.059 -6.428 -16.875 128 H GLU 18 H GLU 18 -10.364 -7.646 -9.849 129 HA GLU 18 HA GLU 18 -13.012 -7.818 -8.547 130 HB2 GLU 18 2HB GLU 18 -11.864 -9.954 -8.848 131 HB3 GLU 18 1HB GLU 18 -10.412 -9.335 -8.075 132 HG2 GLU 18 2HG GLU 18 -11.475 -9.281 -5.918 133 HG3 GLU 18 1HG GLU 18 -13.060 -9.602 -6.625 134 H LEU 19 H LEU 19 -9.689 -6.703 -7.974 135 HA LEU 19 HA LEU 19 -10.095 -6.036 -5.211 136 HB2 LEU 19 2HB LEU 19 -7.807 -5.317 -7.076 137 HB3 LEU 19 1HB LEU 19 -7.796 -5.070 -5.332 138 HG LEU 19 HG LEU 19 -7.937 -7.771 -6.752 139 HD11 LEU 19 1HD1 LEU 19 -5.648 -6.552 -5.181 140 HD12 LEU 19 2HD1 LEU 19 -5.716 -6.795 -6.930 141 HD13 LEU 19 3HD1 LEU 19 -5.700 -8.186 -5.850 142 HD21 LEU 19 1HD2 LEU 19 -7.732 -8.794 -4.525 143 HD22 LEU 19 2HD2 LEU 19 -9.220 -7.865 -4.676 144 HD23 LEU 19 3HD2 LEU 19 -7.856 -7.205 -3.767 145 H ARG 20 H ARG 20 -10.547 -4.336 -8.217 146 HA ARG 20 HA ARG 20 -10.622 -1.659 -7.283 147 HB2 ARG 20 2HB ARG 20 -11.906 -1.141 -9.310 148 HB3 ARG 20 1HB ARG 20 -10.609 -2.265 -9.704 149 HG2 ARG 20 2HG ARG 20 -12.211 -4.133 -9.719 150 HG3 ARG 20 1HG ARG 20 -13.520 -3.031 -9.291 151 HD2 ARG 20 2HD ARG 20 -13.173 -1.823 -11.428 152 HD3 ARG 20 1HD ARG 20 -11.896 -2.971 -11.858 153 HE ARG 20 HE ARG 20 -14.141 -4.490 -11.272 154 HH11 ARG 20 1HH1 ARG 20 -13.270 -2.087 -13.680 155 HH12 ARG 20 2HH1 ARG 20 -14.373 -2.706 -14.866 156 HH21 ARG 20 1HH2 ARG 20 -15.592 -5.274 -12.834 157 HH22 ARG 20 2HH2 ARG 20 -15.688 -4.491 -14.381 158 H LYS 21 H LYS 21 -12.945 -4.280 -7.139 159 HA LYS 21 HA LYS 21 -15.262 -2.803 -6.348 160 HB2 LYS 21 2HB LYS 21 -15.478 -5.010 -7.393 161 HB3 LYS 21 1HB LYS 21 -14.506 -5.749 -6.135 162 HG2 LYS 21 2HG LYS 21 -16.785 -6.363 -5.750 163 HG3 LYS 21 1HG LYS 21 -16.317 -5.233 -4.481 164 HD2 LYS 21 2HD LYS 21 -18.552 -4.673 -5.221 165 HD3 LYS 21 1HD LYS 21 -17.459 -3.392 -5.752 166 HE2 LYS 21 2HE LYS 21 -17.435 -4.316 -8.025 167 HE3 LYS 21 1HE LYS 21 -18.452 -5.670 -7.520 168 HZ1 LYS 21 1HZ LYS 21 -19.734 -3.949 -8.622 169 HZ2 LYS 21 2HZ LYS 21 -19.241 -2.808 -7.479 170 HZ3 LYS 21 3HZ LYS 21 -20.216 -4.102 -7.007 171 H GLU 22 H GLU 22 -12.799 -4.701 -4.645 172 HA GLU 22 HA GLU 22 -13.938 -4.430 -2.041 173 HB2 GLU 22 2HB GLU 22 -11.155 -5.331 -2.904 174 HB3 GLU 22 1HB GLU 22 -11.809 -5.491 -1.275 175 HG2 GLU 22 2HG GLU 22 -12.821 -6.871 -3.784 176 HG3 GLU 22 1HG GLU 22 -11.950 -7.617 -2.443 177 H ASN 23 H ASN 23 -10.769 -3.278 -3.227 178 HA ASN 23 HA ASN 23 -11.065 -0.603 -2.196 179 HB2 ASN 23 2HB ASN 23 -10.532 -1.885 -0.103 180 HB3 ASN 23 1HB ASN 23 -9.056 -2.483 -0.859 181 HD21 ASN 23 1HD2 ASN 23 -7.870 -1.563 0.868 182 HD22 ASN 23 2HD2 ASN 23 -7.569 0.133 0.967 183 H ARG 24 H ARG 24 -10.065 0.569 -3.737 184 HA ARG 24 HA ARG 24 -8.768 -0.895 -5.857 185 HB2 ARG 24 2HB ARG 24 -9.202 1.049 -7.227 186 HB3 ARG 24 1HB ARG 24 -10.624 0.732 -6.242 187 HG2 ARG 24 2HG ARG 24 -9.814 2.565 -4.665 188 HG3 ARG 24 1HG ARG 24 -8.572 2.945 -5.860 189 HD2 ARG 24 2HD ARG 24 -11.537 3.423 -5.965 190 HD3 ARG 24 1HD ARG 24 -10.215 4.474 -6.474 191 HE ARG 24 HE ARG 24 -11.135 2.106 -7.987 192 HH11 ARG 24 1HH1 ARG 24 -9.886 5.386 -8.073 193 HH12 ARG 24 2HH1 ARG 24 -10.004 5.484 -9.801 194 HH21 ARG 24 1HH2 ARG 24 -11.289 2.267 -10.194 195 HH22 ARG 24 2HH2 ARG 24 -10.791 3.719 -11.000 196 H ARG 25 H ARG 25 -7.147 -0.342 -3.392 197 HA ARG 25 HA ARG 25 -5.007 1.450 -4.201 198 HB2 ARG 25 2HB ARG 25 -5.347 -0.436 -1.833 199 HB3 ARG 25 1HB ARG 25 -3.953 0.623 -2.048 200 HG2 ARG 25 2HG ARG 25 -5.398 2.598 -1.887 201 HG3 ARG 25 1HG ARG 25 -6.827 1.565 -1.764 202 HD2 ARG 25 2HD ARG 25 -6.091 2.458 0.438 203 HD3 ARG 25 1HD ARG 25 -6.083 0.697 0.375 204 HE ARG 25 HE ARG 25 -3.651 0.792 0.093 205 HH11 ARG 25 1HH1 ARG 25 -5.151 3.724 1.335 206 HH12 ARG 25 2HH1 ARG 25 -3.727 4.202 2.203 207 HH21 ARG 25 1HH2 ARG 25 -1.839 1.423 1.275 208 HH22 ARG 25 2HH2 ARG 25 -1.873 2.912 2.171 209 H VAL 26 H VAL 26 -5.113 -0.154 -6.236 210 HA VAL 26 HA VAL 26 -2.833 -2.027 -5.987 211 HB VAL 26 HB VAL 26 -3.796 -3.210 -8.015 212 HG11 VAL 26 1HG1 VAL 26 -5.570 -3.218 -5.539 213 HG12 VAL 26 2HG1 VAL 26 -4.080 -4.139 -5.756 214 HG13 VAL 26 3HG1 VAL 26 -5.485 -4.498 -6.757 215 HG21 VAL 26 1HG2 VAL 26 -6.190 -2.933 -8.603 216 HG22 VAL 26 2HG2 VAL 26 -5.301 -1.436 -8.887 217 HG23 VAL 26 3HG2 VAL 26 -6.325 -1.588 -7.460 218 H THR 27 H THR 27 -1.146 -0.751 -6.557 219 HA THR 27 HA THR 27 -1.238 1.018 -8.886 220 HB THR 27 HB THR 27 1.073 0.361 -6.995 221 HG1 THR 27 HG1 THR 27 0.431 2.058 -5.832 222 HG21 THR 27 1HG2 THR 27 1.888 1.214 -9.184 223 HG22 THR 27 2HG2 THR 27 2.161 2.383 -7.891 224 HG23 THR 27 3HG2 THR 27 0.832 2.624 -9.024 225 H VAL 28 H VAL 28 -1.284 -0.172 -10.745 226 HA VAL 28 HA VAL 28 0.448 -2.468 -11.179 227 HB VAL 28 HB VAL 28 -1.754 -2.559 -12.199 228 HG11 VAL 28 1HG1 VAL 28 -2.527 -1.032 -13.976 229 HG12 VAL 28 2HG1 VAL 28 -1.075 -0.051 -13.770 230 HG13 VAL 28 3HG1 VAL 28 -2.248 -0.175 -12.457 231 HG21 VAL 28 1HG2 VAL 28 -1.177 -3.117 -14.550 232 HG22 VAL 28 2HG2 VAL 28 0.055 -3.698 -13.428 233 HG23 VAL 28 3HG2 VAL 28 0.352 -2.245 -14.381 234 H THR 29 H THR 29 2.383 -2.439 -12.190 235 HA THR 29 HA THR 29 3.668 0.086 -12.809 236 HB THR 29 HB THR 29 4.743 -2.763 -13.040 237 HG1 THR 29 HG1 THR 29 4.047 -1.767 -10.891 238 HG21 THR 29 1HG2 THR 29 6.994 -1.700 -12.926 239 HG22 THR 29 2HG2 THR 29 6.241 -0.105 -12.996 240 HG23 THR 29 3HG2 THR 29 6.112 -1.202 -14.373 241 H GLN 30 H GLN 30 4.379 0.698 -14.850 242 HA GLN 30 HA GLN 30 2.804 0.049 -17.101 243 HB2 GLN 30 2HB GLN 30 5.469 1.521 -16.963 244 HB3 GLN 30 1HB GLN 30 4.321 1.595 -18.300 245 HG2 GLN 30 2HG GLN 30 2.688 2.732 -16.915 246 HG3 GLN 30 1HG GLN 30 3.687 2.508 -15.478 247 HE21 GLN 30 1HE2 GLN 30 3.252 4.350 -18.417 248 HE22 GLN 30 2HE2 GLN 30 4.388 5.597 -18.042 249 H GLU 31 H GLU 31 4.141 -0.320 -19.332 250 HA GLU 31 HA GLU 31 4.928 -3.052 -19.317 251 HB2 GLU 31 2HB GLU 31 5.276 -2.875 -21.710 252 HB3 GLU 31 1HB GLU 31 3.805 -2.020 -21.265 253 HG2 GLU 31 2HG GLU 31 6.470 -0.648 -21.780 254 HG3 GLU 31 1HG GLU 31 5.244 -0.913 -23.021 255 H ASN 32 H ASN 32 6.784 -0.378 -18.485 256 HA ASN 32 HA ASN 32 9.411 -1.123 -19.122 257 HB2 ASN 32 2HB ASN 32 8.341 0.120 -16.540 258 HB3 ASN 32 1HB ASN 32 10.042 0.080 -17.004 259 HD21 ASN 32 1HD2 ASN 32 10.792 1.522 -18.537 260 HD22 ASN 32 2HD2 ASN 32 9.842 2.824 -19.158 261 H GLY 33 H GLY 33 9.803 -3.305 -19.063 262 HA2 GLY 33 2HA GLY 33 10.551 -5.272 -18.060 263 HA3 GLY 33 1HA GLY 33 9.981 -4.700 -16.499 264 H ARG 34 H ARG 34 7.926 -5.259 -15.808 265 HA ARG 34 HA ARG 34 6.014 -6.563 -17.612 266 HB2 ARG 34 2HB ARG 34 7.039 -7.935 -15.070 267 HB3 ARG 34 1HB ARG 34 5.703 -8.517 -16.066 268 HG2 ARG 34 2HG ARG 34 7.260 -8.873 -17.957 269 HG3 ARG 34 1HG ARG 34 8.593 -8.247 -16.990 270 HD2 ARG 34 2HD ARG 34 8.107 -10.187 -15.364 271 HD3 ARG 34 1HD ARG 34 7.091 -10.857 -16.650 272 HE ARG 34 HE ARG 34 10.012 -10.556 -16.653 273 HH11 ARG 34 1HH1 ARG 34 7.174 -11.638 -18.443 274 HH12 ARG 34 2HH1 ARG 34 8.124 -12.429 -19.658 275 HH21 ARG 34 1HH2 ARG 34 11.213 -11.589 -18.269 276 HH22 ARG 34 2HH2 ARG 34 10.391 -12.415 -19.556 277 H TRP 35 H TRP 35 3.894 -7.048 -16.283 278 HA TRP 35 HA TRP 35 3.109 -4.459 -15.223 279 HB2 TRP 35 2HB TRP 35 1.405 -6.941 -15.749 280 HB3 TRP 35 1HB TRP 35 0.799 -5.316 -15.435 281 HD1 TRP 35 HD1 TRP 35 2.095 -7.533 -18.244 282 HE1 TRP 35 HE1 TRP 35 1.979 -6.249 -20.468 283 HE3 TRP 35 HE3 TRP 35 0.984 -2.846 -16.464 284 HZ2 TRP 35 HZ2 TRP 35 1.525 -3.625 -21.360 285 HZ3 TRP 35 HZ3 TRP 35 0.733 -1.004 -18.077 286 HH2 TRP 35 HH2 TRP 35 0.996 -1.387 -20.480 287 H ARG 36 H ARG 36 4.292 -4.575 -13.197 288 HA ARG 36 HA ARG 36 3.544 -6.560 -11.223 289 HB2 ARG 36 2HB ARG 36 5.855 -5.757 -11.273 290 HB3 ARG 36 1HB ARG 36 5.330 -4.106 -10.956 291 HG2 ARG 36 2HG ARG 36 4.627 -4.683 -8.709 292 HG3 ARG 36 1HG ARG 36 4.863 -6.407 -9.020 293 HD2 ARG 36 2HD ARG 36 7.092 -4.332 -9.003 294 HD3 ARG 36 1HD ARG 36 6.686 -5.379 -7.646 295 HE ARG 36 HE ARG 36 7.254 -7.300 -9.096 296 HH11 ARG 36 1HH1 ARG 36 8.636 -4.174 -9.941 297 HH12 ARG 36 2HH1 ARG 36 10.021 -4.877 -10.716 298 HH21 ARG 36 1HH2 ARG 36 9.049 -8.187 -10.127 299 HH22 ARG 36 2HH2 ARG 36 10.255 -7.142 -10.822 300 H VAL 37 H VAL 37 1.401 -6.362 -10.763 301 HA VAL 37 HA VAL 37 0.211 -3.865 -9.896 302 HB VAL 37 HB VAL 37 -0.910 -6.702 -9.719 303 HG11 VAL 37 1HG1 VAL 37 -3.119 -5.631 -9.390 304 HG12 VAL 37 2HG1 VAL 37 -2.345 -4.045 -9.349 305 HG13 VAL 37 3HG1 VAL 37 -1.998 -5.227 -8.086 306 HG21 VAL 37 1HG2 VAL 37 -2.244 -6.115 -11.712 307 HG22 VAL 37 2HG2 VAL 37 -0.516 -6.012 -12.052 308 HG23 VAL 37 3HG2 VAL 37 -1.452 -4.540 -11.788 309 H THR 38 H THR 38 1.155 -3.131 -8.104 310 HA THR 38 HA THR 38 1.680 -4.747 -5.766 311 HB THR 38 HB THR 38 1.930 -1.738 -6.168 312 HG1 THR 38 HG1 THR 38 3.252 -3.155 -7.536 313 HG21 THR 38 1HG2 THR 38 3.098 -3.524 -3.987 314 HG22 THR 38 2HG2 THR 38 1.812 -2.332 -3.770 315 HG23 THR 38 3HG2 THR 38 3.440 -1.805 -4.198 316 H TRP 39 H TRP 39 -0.225 -5.406 -4.855 317 HA TRP 39 HA TRP 39 -2.421 -3.571 -4.344 318 HB2 TRP 39 2HB TRP 39 -3.469 -5.572 -3.186 319 HB3 TRP 39 1HB TRP 39 -3.100 -5.812 -4.880 320 HD1 TRP 39 HD1 TRP 39 -0.919 -7.452 -5.419 321 HE1 TRP 39 HE1 TRP 39 -0.017 -9.466 -4.093 322 HE3 TRP 39 HE3 TRP 39 -3.214 -6.585 -0.933 323 HZ2 TRP 39 HZ2 TRP 39 -0.262 -10.558 -1.518 324 HZ3 TRP 39 HZ3 TRP 39 -2.846 -8.172 0.907 325 HH2 TRP 39 HH2 TRP 39 -1.398 -10.123 0.619 326 H ASP 40 H ASP 40 -1.667 -2.004 -3.060 327 HA ASP 40 HA ASP 40 0.091 -2.492 -0.798 328 HB2 ASP 40 2HB ASP 40 0.362 -0.550 -2.375 329 HB3 ASP 40 1HB ASP 40 -1.146 0.124 -1.772 Start of MODEL 3 1 HA THR 1 HA THR 1 6.101 -5.383 -0.022 2 HB THR 1 HB THR 1 5.875 -7.939 -1.667 3 HG1 THR 1 HG1 THR 1 8.265 -7.706 -1.550 4 HG21 THR 1 1HG2 THR 1 7.186 -6.727 -3.378 5 HG22 THR 1 2HG2 THR 1 7.168 -5.274 -2.378 6 HG23 THR 1 3HG2 THR 1 5.663 -5.891 -3.063 7 H GLN 2 H GLN 2 4.520 -3.994 -0.536 8 HA GLN 2 HA GLN 2 1.783 -4.910 -1.016 9 HB2 GLN 2 2HB GLN 2 1.052 -2.633 -0.641 10 HB3 GLN 2 1HB GLN 2 2.204 -3.055 0.613 11 HG2 GLN 2 2HG GLN 2 2.832 -1.331 -1.811 12 HG3 GLN 2 1HG GLN 2 2.427 -0.726 -0.203 13 HE21 GLN 2 1HE2 GLN 2 4.878 -2.238 -2.161 14 HE22 GLN 2 2HE2 GLN 2 6.183 -2.034 -1.045 15 H THR 3 H THR 3 4.037 -5.066 -3.102 16 HA THR 3 HA THR 3 2.264 -4.271 -5.302 17 HB THR 3 HB THR 3 3.922 -2.491 -5.287 18 HG1 THR 3 HG1 THR 3 3.926 -2.610 -7.378 19 HG21 THR 3 1HG2 THR 3 5.812 -3.586 -4.134 20 HG22 THR 3 2HG2 THR 3 6.332 -2.881 -5.666 21 HG23 THR 3 3HG2 THR 3 6.078 -4.622 -5.538 22 H GLN 4 H GLN 4 1.824 -5.971 -6.526 23 HA GLN 4 HA GLN 4 3.555 -8.376 -6.383 24 HB2 GLN 4 2HB GLN 4 1.272 -8.685 -5.468 25 HB3 GLN 4 1HB GLN 4 0.574 -8.164 -6.993 26 HG2 GLN 4 2HG GLN 4 0.412 -10.562 -6.842 27 HG3 GLN 4 1HG GLN 4 1.571 -10.157 -8.102 28 HE21 GLN 4 1HE2 GLN 4 1.233 -12.648 -6.594 29 HE22 GLN 4 2HE2 GLN 4 2.757 -12.971 -5.848 30 H GLU 5 H GLU 5 4.520 -9.044 -8.212 31 HA GLU 5 HA GLU 5 4.153 -7.529 -10.665 32 HB2 GLU 5 2HB GLU 5 6.443 -8.102 -9.756 33 HB3 GLU 5 1HB GLU 5 6.112 -9.794 -10.107 34 HG2 GLU 5 2HG GLU 5 5.843 -9.179 -12.533 35 HG3 GLU 5 1HG GLU 5 6.315 -7.532 -12.121 36 H PHE 6 H PHE 6 3.477 -8.352 -12.604 37 HA PHE 6 HA PHE 6 2.417 -11.102 -12.766 38 HB2 PHE 6 2HB PHE 6 0.938 -8.560 -13.608 39 HB3 PHE 6 1HB PHE 6 0.379 -10.200 -13.922 40 HD1 PHE 6 HD1 PHE 6 0.487 -7.495 -11.491 41 HD2 PHE 6 HD2 PHE 6 -0.280 -11.673 -11.960 42 HE1 PHE 6 HE1 PHE 6 -0.758 -7.511 -9.367 43 HE2 PHE 6 HE2 PHE 6 -1.525 -11.678 -9.838 44 HZ PHE 6 HZ PHE 6 -1.769 -9.598 -8.543 45 H ASP 7 H ASP 7 1.611 -11.327 -15.212 46 HA ASP 7 HA ASP 7 3.790 -10.412 -16.999 47 HB2 ASP 7 2HB ASP 7 3.815 -12.677 -18.017 48 HB3 ASP 7 1HB ASP 7 4.192 -12.746 -16.300 49 H ASN 8 H ASN 8 2.961 -11.506 -19.377 50 HA ASN 8 HA ASN 8 1.142 -9.421 -20.134 51 HB2 ASN 8 2HB ASN 8 3.194 -9.939 -21.437 52 HB3 ASN 8 1HB ASN 8 2.519 -11.497 -21.888 53 HD21 ASN 8 1HD2 ASN 8 0.965 -11.578 -23.520 54 HD22 ASN 8 2HD2 ASN 8 0.541 -10.214 -24.483 55 H GLU 9 H GLU 9 0.685 -12.822 -19.458 56 HA GLU 9 HA GLU 9 -1.688 -13.193 -21.050 57 HB2 GLU 9 2HB GLU 9 -0.710 -14.733 -18.610 58 HB3 GLU 9 1HB GLU 9 -2.102 -15.201 -19.590 59 HG2 GLU 9 2HG GLU 9 -0.543 -15.321 -21.583 60 HG3 GLU 9 1HG GLU 9 0.801 -15.069 -20.468 61 H GLU 10 H GLU 10 -1.190 -11.137 -18.556 62 HA GLU 10 HA GLU 10 -2.523 -9.500 -17.816 63 HB2 GLU 10 2HB GLU 10 -3.760 -9.962 -20.042 64 HB3 GLU 10 1HB GLU 10 -4.959 -10.803 -19.067 65 HG2 GLU 10 2HG GLU 10 -5.382 -8.745 -17.796 66 HG3 GLU 10 1HG GLU 10 -4.146 -7.897 -18.724 67 H GLU 11 H GLU 11 -1.932 -11.861 -16.371 68 HA GLU 11 HA GLU 11 -3.867 -12.606 -14.488 69 HB2 GLU 11 2HB GLU 11 -0.896 -12.120 -14.003 70 HB3 GLU 11 1HB GLU 11 -1.954 -13.141 -13.033 71 HG2 GLU 11 2HG GLU 11 -1.104 -13.639 -15.907 72 HG3 GLU 11 1HG GLU 11 -0.506 -14.485 -14.481 73 H ALA 12 H ALA 12 -1.996 -9.712 -14.913 74 HA ALA 12 HA ALA 12 -2.293 -8.307 -12.548 75 HB1 ALA 12 1HB ALA 12 -1.967 -6.278 -13.912 76 HB2 ALA 12 2HB ALA 12 -2.294 -7.203 -15.381 77 HB3 ALA 12 3HB ALA 12 -0.864 -7.561 -14.411 78 H ARG 13 H ARG 13 -4.404 -8.085 -15.450 79 HA ARG 13 HA ARG 13 -6.341 -6.483 -14.012 80 HB2 ARG 13 2HB ARG 13 -6.288 -7.362 -16.893 81 HB3 ARG 13 1HB ARG 13 -7.569 -6.376 -16.182 82 HG2 ARG 13 2HG ARG 13 -5.623 -4.776 -15.460 83 HG3 ARG 13 1HG ARG 13 -4.672 -5.648 -16.670 84 HD2 ARG 13 2HD ARG 13 -7.278 -4.188 -17.164 85 HD3 ARG 13 1HD ARG 13 -5.669 -3.572 -17.556 86 HE ARG 13 HE ARG 13 -6.596 -6.092 -18.773 87 HH11 ARG 13 1HH1 ARG 13 -5.710 -2.742 -19.209 88 HH12 ARG 13 2HH1 ARG 13 -5.660 -2.856 -20.934 89 HH21 ARG 13 1HH2 ARG 13 -6.515 -6.239 -21.019 90 HH22 ARG 13 2HH2 ARG 13 -6.113 -4.841 -21.964 91 H LYS 14 H LYS 14 -5.933 -9.834 -14.497 92 HA LYS 14 HA LYS 14 -8.658 -10.655 -14.261 93 HB2 LYS 14 2HB LYS 14 -6.897 -12.261 -14.878 94 HB3 LYS 14 1HB LYS 14 -6.102 -12.037 -13.320 95 HG2 LYS 14 2HG LYS 14 -8.119 -12.992 -12.198 96 HG3 LYS 14 1HG LYS 14 -8.842 -13.268 -13.786 97 HD2 LYS 14 2HD LYS 14 -7.054 -14.852 -14.350 98 HD3 LYS 14 1HD LYS 14 -6.236 -14.508 -12.822 99 HE2 LYS 14 2HE LYS 14 -7.457 -16.622 -12.669 100 HE3 LYS 14 1HE LYS 14 -8.181 -15.434 -11.586 101 HZ1 LYS 14 1HZ LYS 14 -9.860 -16.666 -12.778 102 HZ2 LYS 14 2HZ LYS 14 -9.202 -16.204 -14.266 103 HZ3 LYS 14 3HZ LYS 14 -9.891 -15.044 -13.253 104 H ALA 15 H ALA 15 -6.078 -10.072 -11.886 105 HA ALA 15 HA ALA 15 -7.708 -10.336 -9.544 106 HB1 ALA 15 1HB ALA 15 -4.974 -9.065 -9.896 107 HB2 ALA 15 2HB ALA 15 -5.292 -10.752 -9.502 108 HB3 ALA 15 3HB ALA 15 -5.725 -9.491 -8.348 109 H GLU 16 H GLU 16 -6.354 -7.589 -11.332 110 HA GLU 16 HA GLU 16 -6.998 -5.463 -9.683 111 HB2 GLU 16 2HB GLU 16 -5.486 -5.343 -11.671 112 HB3 GLU 16 1HB GLU 16 -6.888 -5.434 -12.724 113 HG2 GLU 16 2HG GLU 16 -7.702 -3.276 -11.641 114 HG3 GLU 16 1HG GLU 16 -6.128 -3.178 -10.861 115 H LYS 17 H LYS 17 -8.892 -6.875 -12.353 116 HA LYS 17 HA LYS 17 -10.977 -5.105 -12.664 117 HB2 LYS 17 2HB LYS 17 -10.530 -7.084 -14.084 118 HB3 LYS 17 1HB LYS 17 -11.102 -8.146 -12.803 119 HG2 LYS 17 2HG LYS 17 -13.369 -7.201 -13.034 120 HG3 LYS 17 1HG LYS 17 -12.787 -6.104 -14.293 121 HD2 LYS 17 2HD LYS 17 -12.188 -8.071 -15.701 122 HD3 LYS 17 1HD LYS 17 -12.805 -9.148 -14.444 123 HE2 LYS 17 2HE LYS 17 -15.066 -8.176 -14.744 124 HE3 LYS 17 1HE LYS 17 -14.439 -7.116 -16.009 125 HZ1 LYS 17 1HZ LYS 17 -14.531 -10.080 -16.078 126 HZ2 LYS 17 2HZ LYS 17 -13.823 -9.108 -17.264 127 HZ3 LYS 17 3HZ LYS 17 -15.484 -9.013 -16.978 128 H GLU 18 H GLU 18 -10.678 -7.631 -10.227 129 HA GLU 18 HA GLU 18 -13.274 -7.199 -9.014 130 HB2 GLU 18 2HB GLU 18 -12.219 -9.431 -9.072 131 HB3 GLU 18 1HB GLU 18 -10.851 -8.832 -8.140 132 HG2 GLU 18 2HG GLU 18 -12.344 -8.437 -6.211 133 HG3 GLU 18 1HG GLU 18 -13.716 -9.027 -7.150 134 H LEU 19 H LEU 19 -9.871 -6.466 -8.291 135 HA LEU 19 HA LEU 19 -10.279 -5.395 -5.672 136 HB2 LEU 19 2HB LEU 19 -7.893 -5.232 -7.534 137 HB3 LEU 19 1HB LEU 19 -7.871 -4.734 -5.847 138 HG LEU 19 HG LEU 19 -8.358 -7.584 -6.824 139 HD11 LEU 19 1HD1 LEU 19 -6.051 -6.893 -7.231 140 HD12 LEU 19 2HD1 LEU 19 -6.118 -8.079 -5.930 141 HD13 LEU 19 3HD1 LEU 19 -5.882 -6.370 -5.551 142 HD21 LEU 19 1HD2 LEU 19 -8.173 -8.231 -4.447 143 HD22 LEU 19 2HD2 LEU 19 -9.534 -7.144 -4.708 144 HD23 LEU 19 3HD2 LEU 19 -8.045 -6.530 -3.985 145 H ARG 20 H ARG 20 -10.718 -3.977 -8.760 146 HA ARG 20 HA ARG 20 -10.156 -1.244 -8.169 147 HB2 ARG 20 2HB ARG 20 -12.050 -2.483 -10.213 148 HB3 ARG 20 1HB ARG 20 -11.703 -0.756 -10.135 149 HG2 ARG 20 2HG ARG 20 -9.354 -1.162 -10.640 150 HG3 ARG 20 1HG ARG 20 -9.605 -2.898 -10.599 151 HD2 ARG 20 2HD ARG 20 -9.501 -2.270 -12.898 152 HD3 ARG 20 1HD ARG 20 -11.193 -2.630 -12.546 153 HE ARG 20 HE ARG 20 -11.709 -0.338 -12.677 154 HH11 ARG 20 1HH1 ARG 20 -8.311 -0.900 -13.353 155 HH12 ARG 20 2HH1 ARG 20 -8.092 0.652 -14.095 156 HH21 ARG 20 1HH2 ARG 20 -11.400 1.681 -13.623 157 HH22 ARG 20 2HH2 ARG 20 -9.835 2.113 -14.241 158 H LYS 21 H LYS 21 -12.954 -3.320 -7.709 159 HA LYS 21 HA LYS 21 -14.623 -1.237 -6.552 160 HB2 LYS 21 2HB LYS 21 -15.691 -3.033 -7.863 161 HB3 LYS 21 1HB LYS 21 -15.003 -4.257 -6.795 162 HG2 LYS 21 2HG LYS 21 -16.332 -3.233 -4.903 163 HG3 LYS 21 1HG LYS 21 -17.113 -2.186 -6.092 164 HD2 LYS 21 2HD LYS 21 -18.057 -4.150 -7.225 165 HD3 LYS 21 1HD LYS 21 -17.202 -5.229 -6.111 166 HE2 LYS 21 2HE LYS 21 -18.495 -4.232 -4.216 167 HE3 LYS 21 1HE LYS 21 -19.384 -3.240 -5.375 168 HZ1 LYS 21 1HZ LYS 21 -20.219 -5.244 -6.391 169 HZ2 LYS 21 2HZ LYS 21 -20.606 -5.203 -4.748 170 HZ3 LYS 21 3HZ LYS 21 -19.354 -6.201 -5.300 171 H GLU 22 H GLU 22 -12.829 -4.130 -5.529 172 HA GLU 22 HA GLU 22 -13.503 -4.166 -2.787 173 HB2 GLU 22 2HB GLU 22 -12.337 -5.957 -4.394 174 HB3 GLU 22 1HB GLU 22 -10.849 -5.208 -3.846 175 HG2 GLU 22 2HG GLU 22 -12.904 -6.495 -2.025 176 HG3 GLU 22 1HG GLU 22 -11.481 -7.313 -2.658 177 H ASN 23 H ASN 23 -12.166 -3.551 -0.939 178 HA ASN 23 HA ASN 23 -11.484 -0.851 -0.897 179 HB2 ASN 23 2HB ASN 23 -10.699 -3.004 1.116 180 HB3 ASN 23 1HB ASN 23 -10.659 -1.269 1.420 181 HD21 ASN 23 1HD2 ASN 23 -12.707 -4.064 0.992 182 HD22 ASN 23 2HD2 ASN 23 -14.163 -3.331 1.559 183 H ARG 24 H ARG 24 -9.438 -3.529 -1.751 184 HA ARG 24 HA ARG 24 -6.881 -2.389 -1.299 185 HB2 ARG 24 2HB ARG 24 -7.881 -4.831 -2.372 186 HB3 ARG 24 1HB ARG 24 -6.975 -4.132 -3.697 187 HG2 ARG 24 2HG ARG 24 -5.552 -5.633 -2.450 188 HG3 ARG 24 1HG ARG 24 -4.975 -3.976 -2.222 189 HD2 ARG 24 2HD ARG 24 -4.988 -5.327 -0.106 190 HD3 ARG 24 1HD ARG 24 -5.976 -3.866 -0.007 191 HE ARG 24 HE ARG 24 -7.799 -5.689 -0.730 192 HH11 ARG 24 1HH1 ARG 24 -5.430 -5.861 1.830 193 HH12 ARG 24 2HH1 ARG 24 -6.433 -6.834 2.850 194 HH21 ARG 24 1HH2 ARG 24 -9.096 -6.913 0.587 195 HH22 ARG 24 2HH2 ARG 24 -8.527 -7.438 2.140 196 H ARG 25 H ARG 25 -6.125 -0.530 -2.207 197 HA ARG 25 HA ARG 25 -6.927 0.618 -4.659 198 HB2 ARG 25 2HB ARG 25 -5.764 2.067 -3.141 199 HB3 ARG 25 1HB ARG 25 -4.434 0.931 -2.943 200 HG2 ARG 25 2HG ARG 25 -3.552 1.431 -5.119 201 HG3 ARG 25 1HG ARG 25 -4.994 2.334 -5.581 202 HD2 ARG 25 2HD ARG 25 -3.105 3.175 -3.357 203 HD3 ARG 25 1HD ARG 25 -2.989 3.751 -5.025 204 HE ARG 25 HE ARG 25 -5.584 4.125 -3.780 205 HH11 ARG 25 1HH1 ARG 25 -2.449 5.590 -4.323 206 HH12 ARG 25 2HH1 ARG 25 -3.046 7.198 -4.112 207 HH21 ARG 25 1HH2 ARG 25 -6.326 6.225 -3.506 208 HH22 ARG 25 2HH2 ARG 25 -5.233 7.557 -3.657 209 H VAL 26 H VAL 26 -6.163 0.327 -6.727 210 HA VAL 26 HA VAL 26 -3.891 -1.502 -7.212 211 HB VAL 26 HB VAL 26 -5.138 -2.121 -9.419 212 HG11 VAL 26 1HG1 VAL 26 -6.324 -4.007 -8.328 213 HG12 VAL 26 2HG1 VAL 26 -6.176 -3.199 -6.765 214 HG13 VAL 26 3HG1 VAL 26 -4.728 -3.748 -7.615 215 HG21 VAL 26 1HG2 VAL 26 -7.552 -1.193 -7.792 216 HG22 VAL 26 2HG2 VAL 26 -7.625 -2.067 -9.325 217 HG23 VAL 26 3HG2 VAL 26 -6.958 -0.432 -9.272 218 H THR 27 H THR 27 -2.308 -0.273 -7.924 219 HA THR 27 HA THR 27 -2.773 1.564 -10.186 220 HB THR 27 HB THR 27 -0.814 2.078 -7.889 221 HG1 THR 27 HG1 THR 27 -3.450 2.563 -8.020 222 HG21 THR 27 1HG2 THR 27 -0.543 4.322 -8.903 223 HG22 THR 27 2HG2 THR 27 -1.635 3.872 -10.215 224 HG23 THR 27 3HG2 THR 27 -0.077 3.060 -10.047 225 H VAL 28 H VAL 28 -1.894 0.379 -11.822 226 HA VAL 28 HA VAL 28 0.341 -1.407 -11.358 227 HB VAL 28 HB VAL 28 -1.450 -2.183 -12.816 228 HG11 VAL 28 1HG1 VAL 28 -2.251 -0.058 -13.745 229 HG12 VAL 28 2HG1 VAL 28 -1.916 -1.209 -15.040 230 HG13 VAL 28 3HG1 VAL 28 -0.779 0.098 -14.706 231 HG21 VAL 28 1HG2 VAL 28 0.818 -3.067 -13.243 232 HG22 VAL 28 2HG2 VAL 28 1.117 -1.775 -14.408 233 HG23 VAL 28 3HG2 VAL 28 -0.114 -2.994 -14.743 234 H THR 29 H THR 29 2.372 -0.776 -11.429 235 HA THR 29 HA THR 29 3.238 1.720 -12.543 236 HB THR 29 HB THR 29 5.002 -0.609 -11.661 237 HG1 THR 29 HG1 THR 29 3.351 0.978 -10.181 238 HG21 THR 29 1HG2 THR 29 5.551 2.391 -11.786 239 HG22 THR 29 2HG2 THR 29 6.211 1.172 -12.883 240 HG23 THR 29 3HG2 THR 29 6.665 1.163 -11.178 241 H GLN 30 H GLN 30 3.046 1.857 -14.686 242 HA GLN 30 HA GLN 30 3.295 -0.061 -16.653 243 HB2 GLN 30 2HB GLN 30 3.581 1.797 -18.269 244 HB3 GLN 30 1HB GLN 30 2.298 2.123 -17.122 245 HG2 GLN 30 2HG GLN 30 5.076 3.327 -16.957 246 HG3 GLN 30 1HG GLN 30 3.703 4.113 -17.726 247 HE21 GLN 30 1HE2 GLN 30 5.349 4.993 -15.461 248 HE22 GLN 30 2HE2 GLN 30 4.248 5.272 -14.156 249 H GLU 31 H GLU 31 4.941 -1.420 -16.720 250 HA GLU 31 HA GLU 31 7.600 -0.446 -17.431 251 HB2 GLU 31 2HB GLU 31 7.708 -0.825 -14.962 252 HB3 GLU 31 1HB GLU 31 7.150 -2.480 -15.195 253 HG2 GLU 31 2HG GLU 31 9.186 -3.013 -16.464 254 HG3 GLU 31 1HG GLU 31 9.737 -1.345 -16.307 255 H ASN 32 H ASN 32 7.558 -1.223 -19.431 256 HA ASN 32 HA ASN 32 6.119 -3.353 -20.466 257 HB2 ASN 32 2HB ASN 32 7.166 -1.450 -21.737 258 HB3 ASN 32 1HB ASN 32 8.729 -2.232 -21.569 259 HD21 ASN 32 1HD2 ASN 32 7.368 -1.519 -23.991 260 HD22 ASN 32 2HD2 ASN 32 7.123 -2.972 -24.890 261 H GLY 33 H GLY 33 6.451 -5.521 -20.654 262 HA2 GLY 33 2HA GLY 33 7.892 -7.457 -20.861 263 HA3 GLY 33 1HA GLY 33 8.994 -6.727 -19.702 264 H ARG 34 H ARG 34 8.056 -6.302 -17.504 265 HA ARG 34 HA ARG 34 5.976 -8.241 -16.694 266 HB2 ARG 34 2HB ARG 34 8.716 -7.883 -15.412 267 HB3 ARG 34 1HB ARG 34 7.384 -8.718 -14.623 268 HG2 ARG 34 2HG ARG 34 7.379 -10.440 -16.370 269 HG3 ARG 34 1HG ARG 34 8.629 -9.570 -17.266 270 HD2 ARG 34 2HD ARG 34 8.991 -10.716 -14.470 271 HD3 ARG 34 1HD ARG 34 9.494 -11.525 -15.954 272 HE ARG 34 HE ARG 34 10.966 -9.518 -16.332 273 HH11 ARG 34 1HH1 ARG 34 10.061 -10.321 -13.040 274 HH12 ARG 34 2HH1 ARG 34 11.557 -9.751 -12.383 275 HH21 ARG 34 1HH2 ARG 34 12.904 -8.775 -15.448 276 HH22 ARG 34 2HH2 ARG 34 13.154 -8.872 -13.733 277 H TRP 35 H TRP 35 4.445 -6.771 -16.340 278 HA TRP 35 HA TRP 35 4.882 -4.211 -15.047 279 HB2 TRP 35 2HB TRP 35 2.272 -5.544 -15.921 280 HB3 TRP 35 1HB TRP 35 2.465 -3.851 -15.474 281 HD1 TRP 35 HD1 TRP 35 3.371 -2.205 -17.344 282 HE1 TRP 35 HE1 TRP 35 3.824 -2.467 -19.858 283 HE3 TRP 35 HE3 TRP 35 3.082 -7.311 -17.714 284 HZ2 TRP 35 HZ2 TRP 35 4.029 -4.534 -21.750 285 HZ3 TRP 35 HZ3 TRP 35 3.414 -8.352 -19.918 286 HH2 TRP 35 HH2 TRP 35 3.876 -6.990 -21.895 287 H ARG 36 H ARG 36 4.752 -3.943 -12.851 288 HA ARG 36 HA ARG 36 3.336 -5.982 -11.251 289 HB2 ARG 36 2HB ARG 36 4.595 -5.347 -9.325 290 HB3 ARG 36 1HB ARG 36 5.738 -5.517 -10.643 291 HG2 ARG 36 2HG ARG 36 4.689 -2.834 -9.715 292 HG3 ARG 36 1HG ARG 36 6.104 -3.602 -9.008 293 HD2 ARG 36 2HD ARG 36 7.138 -3.616 -11.312 294 HD3 ARG 36 1HD ARG 36 5.763 -2.657 -11.869 295 HE ARG 36 HE ARG 36 6.486 -1.048 -10.004 296 HH11 ARG 36 1HH1 ARG 36 8.781 -2.958 -11.847 297 HH12 ARG 36 2HH1 ARG 36 10.067 -1.818 -11.632 298 HH21 ARG 36 1HH2 ARG 36 8.179 0.417 -9.717 299 HH22 ARG 36 2HH2 ARG 36 9.735 0.085 -10.409 300 H VAL 37 H VAL 37 1.535 -5.528 -10.207 301 HA VAL 37 HA VAL 37 0.321 -2.872 -10.379 302 HB VAL 37 HB VAL 37 -0.856 -5.484 -9.306 303 HG11 VAL 37 1HG1 VAL 37 -2.235 -2.814 -9.857 304 HG12 VAL 37 2HG1 VAL 37 -1.937 -3.508 -8.262 305 HG13 VAL 37 3HG1 VAL 37 -3.052 -4.305 -9.375 306 HG21 VAL 37 1HG2 VAL 37 -0.436 -5.594 -11.741 307 HG22 VAL 37 2HG2 VAL 37 -1.330 -4.088 -11.972 308 HG23 VAL 37 3HG2 VAL 37 -2.171 -5.534 -11.409 309 H THR 38 H THR 38 1.070 -1.521 -8.878 310 HA THR 38 HA THR 38 1.838 -2.316 -6.214 311 HB THR 38 HB THR 38 1.458 0.483 -7.373 312 HG1 THR 38 HG1 THR 38 3.418 0.271 -8.182 313 HG21 THR 38 1HG2 THR 38 2.996 -0.436 -4.906 314 HG22 THR 38 2HG2 THR 38 1.494 0.492 -4.894 315 HG23 THR 38 3HG2 THR 38 2.967 1.211 -5.547 316 H TRP 39 H TRP 39 0.259 -2.977 -4.936 317 HA TRP 39 HA TRP 39 -2.379 -1.662 -4.931 318 HB2 TRP 39 2HB TRP 39 -3.180 -3.772 -3.812 319 HB3 TRP 39 1HB TRP 39 -2.569 -4.012 -5.440 320 HD1 TRP 39 HD1 TRP 39 -0.191 -5.348 -5.679 321 HE1 TRP 39 HE1 TRP 39 0.924 -7.060 -4.127 322 HE3 TRP 39 HE3 TRP 39 -2.829 -4.415 -1.385 323 HZ2 TRP 39 HZ2 TRP 39 0.719 -7.928 -1.462 324 HZ3 TRP 39 HZ3 TRP 39 -2.312 -5.743 0.622 325 HH2 TRP 39 HH2 TRP 39 -0.573 -7.465 0.583 326 H ASP 40 H ASP 40 -3.469 -1.829 -2.669 327 HA ASP 40 HA ASP 40 -1.708 -1.344 -0.417 328 HB2 ASP 40 2HB ASP 40 -1.699 0.829 -1.801 329 HB3 ASP 40 1HB ASP 40 -3.404 0.995 -1.408 Start of MODEL 4 1 HA THR 1 HA THR 1 1.465 -1.860 -0.912 2 HB THR 1 HB THR 1 4.256 -2.133 0.309 3 HG1 THR 1 HG1 THR 1 3.767 -0.316 1.259 4 HG21 THR 1 1HG2 THR 1 4.995 -0.699 -1.560 5 HG22 THR 1 2HG2 THR 1 3.360 -0.691 -2.223 6 HG23 THR 1 3HG2 THR 1 4.282 -2.194 -2.174 7 H GLN 2 H GLN 2 0.478 -3.865 -1.519 8 HA GLN 2 HA GLN 2 2.066 -6.313 -1.555 9 HB2 GLN 2 2HB GLN 2 -0.747 -5.760 -2.586 10 HB3 GLN 2 1HB GLN 2 0.044 -7.326 -2.669 11 HG2 GLN 2 2HG GLN 2 -1.425 -7.420 -0.840 12 HG3 GLN 2 1HG GLN 2 0.187 -7.292 -0.150 13 HE21 GLN 2 1HE2 GLN 2 -2.893 -5.734 -0.574 14 HE22 GLN 2 2HE2 GLN 2 -2.629 -4.445 0.545 15 H THR 3 H THR 3 3.768 -5.683 -2.891 16 HA THR 3 HA THR 3 3.333 -4.905 -5.645 17 HB THR 3 HB THR 3 5.827 -5.105 -5.827 18 HG1 THR 3 HG1 THR 3 6.183 -6.759 -4.305 19 HG21 THR 3 1HG2 THR 3 6.404 -3.262 -4.285 20 HG22 THR 3 2HG2 THR 3 4.897 -3.522 -3.404 21 HG23 THR 3 3HG2 THR 3 4.854 -2.962 -5.078 22 H GLN 4 H GLN 4 2.220 -6.510 -6.680 23 HA GLN 4 HA GLN 4 3.519 -9.170 -6.958 24 HB2 GLN 4 2HB GLN 4 0.581 -8.409 -7.286 25 HB3 GLN 4 1HB GLN 4 1.246 -10.003 -7.628 26 HG2 GLN 4 2HG GLN 4 1.201 -8.652 -4.912 27 HG3 GLN 4 1HG GLN 4 0.093 -9.912 -5.452 28 HE21 GLN 4 1HE2 GLN 4 1.950 -9.882 -3.181 29 HE22 GLN 4 2HE2 GLN 4 2.967 -11.264 -3.382 30 H GLU 5 H GLU 5 4.654 -9.205 -8.819 31 HA GLU 5 HA GLU 5 3.914 -7.536 -11.088 32 HB2 GLU 5 2HB GLU 5 6.020 -8.362 -12.120 33 HB3 GLU 5 1HB GLU 5 6.273 -7.644 -10.535 34 HG2 GLU 5 2HG GLU 5 6.341 -9.963 -9.566 35 HG3 GLU 5 1HG GLU 5 6.256 -10.600 -11.206 36 H PHE 6 H PHE 6 2.697 -8.161 -12.692 37 HA PHE 6 HA PHE 6 2.277 -11.034 -13.282 38 HB2 PHE 6 2HB PHE 6 0.340 -8.697 -13.678 39 HB3 PHE 6 1HB PHE 6 0.032 -10.362 -14.161 40 HD1 PHE 6 HD1 PHE 6 -0.128 -7.990 -11.440 41 HD2 PHE 6 HD2 PHE 6 -0.141 -12.155 -12.361 42 HE1 PHE 6 HE1 PHE 6 -1.107 -8.467 -9.240 43 HE2 PHE 6 HE2 PHE 6 -1.120 -12.634 -10.154 44 HZ PHE 6 HZ PHE 6 -1.606 -10.792 -8.592 45 H ASP 7 H ASP 7 2.077 -11.591 -15.493 46 HA ASP 7 HA ASP 7 3.370 -9.861 -17.448 47 HB2 ASP 7 2HB ASP 7 2.103 -12.628 -17.697 48 HB3 ASP 7 1HB ASP 7 2.956 -11.801 -19.002 49 H ASN 8 H ASN 8 2.122 -9.789 -19.690 50 HA ASN 8 HA ASN 8 -0.450 -8.494 -19.187 51 HB2 ASN 8 2HB ASN 8 1.417 -7.554 -20.692 52 HB3 ASN 8 1HB ASN 8 0.978 -8.789 -21.862 53 HD21 ASN 8 1HD2 ASN 8 0.257 -7.356 -23.446 54 HD22 ASN 8 2HD2 ASN 8 -1.142 -6.359 -23.261 55 H GLU 9 H GLU 9 -0.396 -11.324 -18.786 56 HA GLU 9 HA GLU 9 -1.897 -12.588 -20.949 57 HB2 GLU 9 2HB GLU 9 -1.307 -13.633 -18.146 58 HB3 GLU 9 1HB GLU 9 -1.789 -14.580 -19.548 59 HG2 GLU 9 2HG GLU 9 0.851 -13.118 -19.216 60 HG3 GLU 9 1HG GLU 9 0.597 -14.848 -18.985 61 H GLU 10 H GLU 10 -2.850 -10.190 -19.332 62 HA GLU 10 HA GLU 10 -4.683 -9.270 -18.459 63 HB2 GLU 10 2HB GLU 10 -5.779 -10.685 -20.282 64 HB3 GLU 10 1HB GLU 10 -6.160 -11.861 -19.032 65 HG2 GLU 10 2HG GLU 10 -7.513 -10.164 -17.862 66 HG3 GLU 10 1HG GLU 10 -7.123 -8.991 -19.122 67 H GLU 11 H GLU 11 -2.878 -11.297 -16.952 68 HA GLU 11 HA GLU 11 -4.333 -12.290 -14.702 69 HB2 GLU 11 2HB GLU 11 -1.350 -11.757 -15.044 70 HB3 GLU 11 1HB GLU 11 -2.062 -12.659 -13.707 71 HG2 GLU 11 2HG GLU 11 -2.115 -13.447 -16.635 72 HG3 GLU 11 1HG GLU 11 -1.101 -14.158 -15.380 73 H ALA 12 H ALA 12 -2.621 -9.338 -15.426 74 HA ALA 12 HA ALA 12 -2.619 -8.134 -12.854 75 HB1 ALA 12 1HB ALA 12 -1.159 -7.374 -14.691 76 HB2 ALA 12 2HB ALA 12 -2.155 -6.045 -14.095 77 HB3 ALA 12 3HB ALA 12 -2.571 -6.849 -15.611 78 H ARG 13 H ARG 13 -4.915 -8.244 -15.515 79 HA ARG 13 HA ARG 13 -6.790 -6.316 -14.442 80 HB2 ARG 13 2HB ARG 13 -7.119 -8.301 -16.730 81 HB3 ARG 13 1HB ARG 13 -8.175 -6.932 -16.393 82 HG2 ARG 13 2HG ARG 13 -5.274 -6.799 -17.287 83 HG3 ARG 13 1HG ARG 13 -6.698 -6.434 -18.263 84 HD2 ARG 13 2HD ARG 13 -5.581 -4.849 -15.927 85 HD3 ARG 13 1HD ARG 13 -5.771 -4.326 -17.601 86 HE ARG 13 HE ARG 13 -7.701 -4.196 -15.521 87 HH11 ARG 13 1HH1 ARG 13 -7.481 -4.567 -19.010 88 HH12 ARG 13 2HH1 ARG 13 -9.100 -4.014 -19.275 89 HH21 ARG 13 1HH2 ARG 13 -9.797 -3.474 -15.895 90 HH22 ARG 13 2HH2 ARG 13 -10.409 -3.411 -17.520 91 H LYS 14 H LYS 14 -6.367 -9.772 -14.471 92 HA LYS 14 HA LYS 14 -8.890 -10.627 -13.501 93 HB2 LYS 14 2HB LYS 14 -7.270 -12.126 -14.600 94 HB3 LYS 14 1HB LYS 14 -6.106 -11.870 -13.308 95 HG2 LYS 14 2HG LYS 14 -7.712 -13.004 -11.732 96 HG3 LYS 14 1HG LYS 14 -8.748 -13.355 -13.122 97 HD2 LYS 14 2HD LYS 14 -6.891 -14.644 -14.167 98 HD3 LYS 14 1HD LYS 14 -5.867 -14.297 -12.771 99 HE2 LYS 14 2HE LYS 14 -6.759 -16.548 -12.582 100 HE3 LYS 14 1HE LYS 14 -7.482 -15.538 -11.329 101 HZ1 LYS 14 1HZ LYS 14 -9.112 -16.958 -12.400 102 HZ2 LYS 14 2HZ LYS 14 -8.763 -16.277 -13.906 103 HZ3 LYS 14 3HZ LYS 14 -9.468 -15.330 -12.691 104 H ALA 15 H ALA 15 -5.783 -9.938 -11.878 105 HA ALA 15 HA ALA 15 -6.601 -10.195 -9.190 106 HB1 ALA 15 1HB ALA 15 -4.226 -10.058 -9.859 107 HB2 ALA 15 2HB ALA 15 -4.605 -8.824 -8.656 108 HB3 ALA 15 3HB ALA 15 -4.450 -8.382 -10.358 109 H GLU 16 H GLU 16 -6.464 -7.413 -11.365 110 HA GLU 16 HA GLU 16 -7.338 -5.374 -9.680 111 HB2 GLU 16 2HB GLU 16 -6.313 -5.044 -11.912 112 HB3 GLU 16 1HB GLU 16 -7.763 -5.678 -12.676 113 HG2 GLU 16 2HG GLU 16 -8.977 -3.707 -11.471 114 HG3 GLU 16 1HG GLU 16 -7.359 -3.037 -11.263 115 H LYS 17 H LYS 17 -9.215 -7.762 -11.507 116 HA LYS 17 HA LYS 17 -11.773 -6.630 -11.415 117 HB2 LYS 17 2HB LYS 17 -11.237 -8.621 -12.765 118 HB3 LYS 17 1HB LYS 17 -10.977 -9.571 -11.310 119 HG2 LYS 17 2HG LYS 17 -13.133 -10.133 -12.282 120 HG3 LYS 17 1HG LYS 17 -13.377 -9.329 -10.729 121 HD2 LYS 17 2HD LYS 17 -13.847 -7.196 -11.946 122 HD3 LYS 17 1HD LYS 17 -13.661 -8.057 -13.477 123 HE2 LYS 17 2HE LYS 17 -15.758 -8.661 -11.359 124 HE3 LYS 17 1HE LYS 17 -16.041 -7.778 -12.859 125 HZ1 LYS 17 1HZ LYS 17 -15.186 -10.620 -12.649 126 HZ2 LYS 17 2HZ LYS 17 -15.428 -9.774 -14.095 127 HZ3 LYS 17 3HZ LYS 17 -16.731 -10.068 -13.062 128 H GLU 18 H GLU 18 -10.084 -8.657 -9.078 129 HA GLU 18 HA GLU 18 -12.182 -8.859 -7.165 130 HB2 GLU 18 2HB GLU 18 -10.200 -10.439 -7.390 131 HB3 GLU 18 1HB GLU 18 -9.185 -9.184 -6.687 132 HG2 GLU 18 2HG GLU 18 -9.821 -10.854 -5.010 133 HG3 GLU 18 1HG GLU 18 -10.483 -9.267 -4.608 134 H LEU 19 H LEU 19 -9.289 -6.844 -7.445 135 HA LEU 19 HA LEU 19 -9.509 -5.432 -5.026 136 HB2 LEU 19 2HB LEU 19 -7.979 -5.029 -7.588 137 HB3 LEU 19 1HB LEU 19 -8.026 -3.702 -6.450 138 HG LEU 19 HG LEU 19 -5.968 -4.980 -6.180 139 HD11 LEU 19 1HD1 LEU 19 -6.049 -5.398 -3.777 140 HD12 LEU 19 2HD1 LEU 19 -7.812 -5.348 -3.811 141 HD13 LEU 19 3HD1 LEU 19 -6.875 -3.905 -4.210 142 HD21 LEU 19 1HD2 LEU 19 -7.698 -7.388 -5.543 143 HD22 LEU 19 2HD2 LEU 19 -5.942 -7.299 -5.355 144 HD23 LEU 19 3HD2 LEU 19 -6.664 -7.170 -6.956 145 H ARG 20 H ARG 20 -10.892 -4.723 -8.214 146 HA ARG 20 HA ARG 20 -11.666 -2.036 -7.734 147 HB2 ARG 20 2HB ARG 20 -12.537 -4.130 -9.734 148 HB3 ARG 20 1HB ARG 20 -13.360 -2.572 -9.671 149 HG2 ARG 20 2HG ARG 20 -11.242 -1.409 -10.136 150 HG3 ARG 20 1HG ARG 20 -10.379 -2.951 -10.145 151 HD2 ARG 20 2HD ARG 20 -12.633 -2.278 -12.070 152 HD3 ARG 20 1HD ARG 20 -10.926 -2.000 -12.424 153 HE ARG 20 HE ARG 20 -10.799 -4.554 -11.867 154 HH11 ARG 20 1HH1 ARG 20 -13.367 -2.998 -13.672 155 HH12 ARG 20 2HH1 ARG 20 -13.575 -4.334 -14.757 156 HH21 ARG 20 1HH2 ARG 20 -11.061 -6.276 -13.341 157 HH22 ARG 20 2HH2 ARG 20 -12.283 -6.179 -14.566 158 H LYS 21 H LYS 21 -13.209 -5.117 -7.070 159 HA LYS 21 HA LYS 21 -15.697 -4.001 -6.113 160 HB2 LYS 21 2HB LYS 21 -14.475 -6.759 -5.705 161 HB3 LYS 21 1HB LYS 21 -16.137 -6.315 -5.321 162 HG2 LYS 21 2HG LYS 21 -16.591 -5.905 -7.713 163 HG3 LYS 21 1HG LYS 21 -14.920 -6.324 -8.109 164 HD2 LYS 21 2HD LYS 21 -16.991 -8.186 -6.870 165 HD3 LYS 21 1HD LYS 21 -16.448 -8.216 -8.550 166 HE2 LYS 21 2HE LYS 21 -14.189 -8.840 -7.848 167 HE3 LYS 21 1HE LYS 21 -14.642 -8.697 -6.148 168 HZ1 LYS 21 1HZ LYS 21 -15.776 -10.649 -8.070 169 HZ2 LYS 21 2HZ LYS 21 -16.175 -10.525 -6.430 170 HZ3 LYS 21 3HZ LYS 21 -14.612 -10.984 -6.889 171 H GLU 22 H GLU 22 -12.667 -5.177 -4.689 172 HA GLU 22 HA GLU 22 -13.605 -4.833 -1.954 173 HB2 GLU 22 2HB GLU 22 -10.921 -5.821 -3.012 174 HB3 GLU 22 1HB GLU 22 -11.408 -5.825 -1.317 175 HG2 GLU 22 2HG GLU 22 -12.662 -7.429 -3.573 176 HG3 GLU 22 1HG GLU 22 -11.650 -8.054 -2.274 177 H ASN 23 H ASN 23 -10.346 -3.959 -3.088 178 HA ASN 23 HA ASN 23 -10.646 -1.248 -1.912 179 HB2 ASN 23 2HB ASN 23 -8.314 -3.185 -1.576 180 HB3 ASN 23 1HB ASN 23 -8.234 -1.484 -1.155 181 HD21 ASN 23 1HD2 ASN 23 -10.773 -3.961 -0.471 182 HD22 ASN 23 2HD2 ASN 23 -10.710 -3.760 1.240 183 H ARG 24 H ARG 24 -10.395 0.163 -3.567 184 HA ARG 24 HA ARG 24 -9.288 -0.669 -6.115 185 HB2 ARG 24 2HB ARG 24 -10.641 1.895 -5.194 186 HB3 ARG 24 1HB ARG 24 -10.063 1.656 -6.840 187 HG2 ARG 24 2HG ARG 24 -11.608 -0.234 -7.129 188 HG3 ARG 24 1HG ARG 24 -12.180 -0.037 -5.471 189 HD2 ARG 24 2HD ARG 24 -13.081 2.166 -6.004 190 HD3 ARG 24 1HD ARG 24 -12.411 2.084 -7.637 191 HE ARG 24 HE ARG 24 -14.030 -0.106 -7.491 192 HH11 ARG 24 1HH1 ARG 24 -14.615 3.308 -6.872 193 HH12 ARG 24 2HH1 ARG 24 -16.244 3.251 -7.460 194 HH21 ARG 24 1HH2 ARG 24 -16.165 -0.144 -8.252 195 HH22 ARG 24 2HH2 ARG 24 -17.117 1.304 -8.241 196 H ARG 25 H ARG 25 -7.339 -0.208 -3.835 197 HA ARG 25 HA ARG 25 -5.764 2.097 -4.704 198 HB2 ARG 25 2HB ARG 25 -5.004 -0.025 -2.647 199 HB3 ARG 25 1HB ARG 25 -4.298 1.577 -2.833 200 HG2 ARG 25 2HG ARG 25 -7.102 0.938 -1.856 201 HG3 ARG 25 1HG ARG 25 -5.743 1.485 -0.871 202 HD2 ARG 25 2HD ARG 25 -5.725 3.630 -2.085 203 HD3 ARG 25 1HD ARG 25 -7.079 3.084 -3.083 204 HE ARG 25 HE ARG 25 -7.294 3.340 -0.137 205 HH11 ARG 25 1HH1 ARG 25 -8.550 4.113 -3.336 206 HH12 ARG 25 2HH1 ARG 25 -9.990 4.849 -2.713 207 HH21 ARG 25 1HH2 ARG 25 -9.172 4.334 0.648 208 HH22 ARG 25 2HH2 ARG 25 -10.326 5.000 -0.463 209 H VAL 26 H VAL 26 -5.723 0.985 -6.936 210 HA VAL 26 HA VAL 26 -3.615 -1.093 -7.164 211 HB VAL 26 HB VAL 26 -5.806 -0.479 -9.204 212 HG11 VAL 26 1HG1 VAL 26 -5.176 -2.670 -10.186 213 HG12 VAL 26 2HG1 VAL 26 -3.895 -2.833 -8.982 214 HG13 VAL 26 3HG1 VAL 26 -3.815 -1.541 -10.180 215 HG21 VAL 26 1HG2 VAL 26 -5.769 -2.700 -7.128 216 HG22 VAL 26 2HG2 VAL 26 -6.957 -2.523 -8.422 217 HG23 VAL 26 3HG2 VAL 26 -6.858 -1.310 -7.143 218 H THR 27 H THR 27 -1.744 -0.388 -8.026 219 HA THR 27 HA THR 27 -1.793 1.544 -10.252 220 HB THR 27 HB THR 27 0.258 1.589 -7.987 221 HG1 THR 27 HG1 THR 27 -2.137 2.846 -8.318 222 HG21 THR 27 1HG2 THR 27 -0.007 3.427 -10.406 223 HG22 THR 27 2HG2 THR 27 1.277 2.239 -10.158 224 HG23 THR 27 3HG2 THR 27 1.136 3.632 -9.081 225 H VAL 28 H VAL 28 -1.348 0.184 -11.905 226 HA VAL 28 HA VAL 28 0.796 -1.789 -11.726 227 HB VAL 28 HB VAL 28 -1.166 -2.501 -12.973 228 HG11 VAL 28 1HG1 VAL 28 -0.767 -0.173 -14.884 229 HG12 VAL 28 2HG1 VAL 28 -2.057 -0.322 -13.690 230 HG13 VAL 28 3HG1 VAL 28 -1.973 -1.455 -15.039 231 HG21 VAL 28 1HG2 VAL 28 1.128 -2.045 -14.926 232 HG22 VAL 28 2HG2 VAL 28 -0.148 -3.253 -15.093 233 HG23 VAL 28 3HG2 VAL 28 1.008 -3.370 -13.766 234 H THR 29 H THR 29 2.483 -0.333 -11.249 235 HA THR 29 HA THR 29 3.253 1.799 -13.009 236 HB THR 29 HB THR 29 3.859 2.138 -10.748 237 HG1 THR 29 HG1 THR 29 6.364 1.361 -11.816 238 HG21 THR 29 1HG2 THR 29 3.851 -0.172 -9.897 239 HG22 THR 29 2HG2 THR 29 5.323 0.669 -9.413 240 HG23 THR 29 3HG2 THR 29 5.375 -0.493 -10.737 241 H GLN 30 H GLN 30 3.546 1.069 -15.048 242 HA GLN 30 HA GLN 30 4.842 -1.365 -15.760 243 HB2 GLN 30 2HB GLN 30 4.597 -0.547 -18.123 244 HB3 GLN 30 1HB GLN 30 3.106 -0.518 -17.201 245 HG2 GLN 30 2HG GLN 30 3.049 1.471 -18.439 246 HG3 GLN 30 1HG GLN 30 3.538 1.978 -16.829 247 HE21 GLN 30 1HE2 GLN 30 5.691 0.515 -19.261 248 HE22 GLN 30 2HE2 GLN 30 6.661 1.923 -19.498 249 H GLU 31 H GLU 31 6.734 -1.618 -17.062 250 HA GLU 31 HA GLU 31 8.661 0.568 -17.222 251 HB2 GLU 31 2HB GLU 31 9.174 -0.496 -15.020 252 HB3 GLU 31 1HB GLU 31 9.356 -2.058 -15.815 253 HG2 GLU 31 2HG GLU 31 11.290 -1.173 -17.099 254 HG3 GLU 31 1HG GLU 31 11.103 0.385 -16.296 255 H ASN 32 H ASN 32 8.687 -2.989 -17.533 256 HA ASN 32 HA ASN 32 8.716 -3.145 -20.358 257 HB2 ASN 32 2HB ASN 32 10.909 -2.093 -20.247 258 HB3 ASN 32 1HB ASN 32 11.433 -3.175 -18.960 259 HD21 ASN 32 1HD2 ASN 32 12.164 -5.234 -19.500 260 HD22 ASN 32 2HD2 ASN 32 12.471 -5.727 -21.130 261 H GLY 33 H GLY 33 7.716 -5.040 -20.530 262 HA2 GLY 33 2HA GLY 33 7.511 -7.335 -20.611 263 HA3 GLY 33 1HA GLY 33 8.924 -7.498 -19.591 264 H ARG 34 H ARG 34 8.540 -6.759 -17.258 265 HA ARG 34 HA ARG 34 6.281 -8.239 -16.176 266 HB2 ARG 34 2HB ARG 34 8.646 -6.870 -14.824 267 HB3 ARG 34 1HB ARG 34 7.384 -7.722 -13.946 268 HG2 ARG 34 2HG ARG 34 9.267 -9.181 -14.083 269 HG3 ARG 34 1HG ARG 34 8.032 -9.821 -15.163 270 HD2 ARG 34 2HD ARG 34 10.335 -9.947 -16.105 271 HD3 ARG 34 1HD ARG 34 9.232 -9.009 -17.106 272 HE ARG 34 HE ARG 34 10.536 -7.168 -16.792 273 HH11 ARG 34 1HH1 ARG 34 11.464 -9.470 -14.266 274 HH12 ARG 34 2HH1 ARG 34 12.823 -8.511 -13.777 275 HH21 ARG 34 1HH2 ARG 34 12.338 -5.986 -16.108 276 HH22 ARG 34 2HH2 ARG 34 13.309 -6.570 -14.794 277 H TRP 35 H TRP 35 4.398 -7.176 -16.090 278 HA TRP 35 HA TRP 35 4.150 -4.334 -15.534 279 HB2 TRP 35 2HB TRP 35 1.984 -6.489 -15.695 280 HB3 TRP 35 1HB TRP 35 1.718 -4.748 -15.700 281 HD1 TRP 35 HD1 TRP 35 3.084 -7.568 -17.940 282 HE1 TRP 35 HE1 TRP 35 3.022 -6.778 -20.378 283 HE3 TRP 35 HE3 TRP 35 1.688 -2.696 -17.196 284 HZ2 TRP 35 HZ2 TRP 35 2.467 -4.429 -21.811 285 HZ3 TRP 35 HZ3 TRP 35 1.417 -1.243 -19.166 286 HH2 TRP 35 HH2 TRP 35 1.798 -2.092 -21.426 287 H ARG 36 H ARG 36 5.076 -4.100 -13.488 288 HA ARG 36 HA ARG 36 4.386 -5.861 -11.314 289 HB2 ARG 36 2HB ARG 36 5.918 -4.455 -9.954 290 HB3 ARG 36 1HB ARG 36 6.657 -5.056 -11.432 291 HG2 ARG 36 2HG ARG 36 6.327 -2.856 -12.477 292 HG3 ARG 36 1HG ARG 36 5.608 -2.256 -10.988 293 HD2 ARG 36 2HD ARG 36 7.860 -1.494 -10.985 294 HD3 ARG 36 1HD ARG 36 7.792 -2.814 -9.820 295 HE ARG 36 HE ARG 36 8.791 -4.256 -11.567 296 HH11 ARG 36 1HH1 ARG 36 9.203 -0.774 -11.865 297 HH12 ARG 36 2HH1 ARG 36 10.663 -0.906 -12.791 298 HH21 ARG 36 1HH2 ARG 36 10.710 -4.400 -12.797 299 HH22 ARG 36 2HH2 ARG 36 11.510 -2.949 -13.318 300 H VAL 37 H VAL 37 2.339 -5.724 -10.799 301 HA VAL 37 HA VAL 37 0.893 -3.225 -10.488 302 HB VAL 37 HB VAL 37 -0.116 -6.037 -9.859 303 HG11 VAL 37 1HG1 VAL 37 -1.494 -4.242 -8.879 304 HG12 VAL 37 2HG1 VAL 37 -2.367 -5.053 -10.179 305 HG13 VAL 37 3HG1 VAL 37 -1.640 -3.469 -10.460 306 HG21 VAL 37 1HG2 VAL 37 0.669 -5.938 -12.199 307 HG22 VAL 37 2HG2 VAL 37 -0.344 -4.525 -12.489 308 HG23 VAL 37 3HG2 VAL 37 -1.087 -6.081 -12.121 309 H THR 38 H THR 38 1.467 -2.115 -8.735 310 HA THR 38 HA THR 38 1.815 -3.374 -6.112 311 HB THR 38 HB THR 38 2.081 -0.465 -6.992 312 HG1 THR 38 HG1 THR 38 3.635 -2.381 -7.596 313 HG21 THR 38 1HG2 THR 38 3.259 -0.118 -4.837 314 HG22 THR 38 2HG2 THR 38 2.877 -1.773 -4.361 315 HG23 THR 38 3HG2 THR 38 1.578 -0.597 -4.581 316 H TRP 39 H TRP 39 -0.095 -3.824 -5.115 317 HA TRP 39 HA TRP 39 -2.270 -1.829 -5.235 318 HB2 TRP 39 2HB TRP 39 -3.917 -3.759 -5.295 319 HB3 TRP 39 1HB TRP 39 -3.006 -3.521 -6.778 320 HD1 TRP 39 HD1 TRP 39 -1.275 -5.445 -7.482 321 HE1 TRP 39 HE1 TRP 39 -1.067 -7.899 -6.780 322 HE3 TRP 39 HE3 TRP 39 -4.116 -5.326 -3.230 323 HZ2 TRP 39 HZ2 TRP 39 -1.959 -9.572 -4.701 324 HZ3 TRP 39 HZ3 TRP 39 -4.375 -7.396 -1.930 325 HH2 TRP 39 HH2 TRP 39 -3.317 -9.478 -2.653 326 H ASP 40 H ASP 40 -3.820 -2.063 -3.475 327 HA ASP 40 HA ASP 40 -2.882 -3.459 -1.059 328 HB2 ASP 40 2HB ASP 40 -3.393 -0.468 -1.292 329 HB3 ASP 40 1HB ASP 40 -3.558 -1.302 0.250 Start of MODEL 5 1 HA THR 1 HA THR 1 5.365 -7.963 -2.760 2 HB THR 1 HB THR 1 3.920 -8.537 -4.801 3 HG1 THR 1 HG1 THR 1 2.653 -10.620 -4.183 4 HG21 THR 1 1HG2 THR 1 4.721 -10.866 -5.006 5 HG22 THR 1 2HG2 THR 1 5.091 -10.900 -3.280 6 HG23 THR 1 3HG2 THR 1 5.984 -9.816 -4.352 7 H GLN 2 H GLN 2 5.017 -5.851 -2.135 8 HA GLN 2 HA GLN 2 2.458 -4.572 -1.992 9 HB2 GLN 2 2HB GLN 2 3.638 -2.474 -1.814 10 HB3 GLN 2 1HB GLN 2 4.503 -3.662 -0.855 11 HG2 GLN 2 2HG GLN 2 5.350 -2.774 -3.635 12 HG3 GLN 2 1HG GLN 2 5.953 -2.062 -2.144 13 HE21 GLN 2 1HE2 GLN 2 7.446 -3.379 -4.260 14 HE22 GLN 2 2HE2 GLN 2 8.286 -4.689 -3.507 15 H THR 3 H THR 3 4.777 -5.173 -4.525 16 HA THR 3 HA THR 3 2.784 -4.329 -6.536 17 HB THR 3 HB THR 3 4.620 -2.795 -6.775 18 HG1 THR 3 HG1 THR 3 4.082 -3.215 -8.792 19 HG21 THR 3 1HG2 THR 3 6.956 -3.491 -7.209 20 HG22 THR 3 2HG2 THR 3 6.508 -5.173 -6.913 21 HG23 THR 3 3HG2 THR 3 6.414 -3.989 -5.605 22 H GLN 4 H GLN 4 1.831 -6.225 -6.994 23 HA GLN 4 HA GLN 4 3.360 -8.709 -7.115 24 HB2 GLN 4 2HB GLN 4 1.165 -8.696 -5.971 25 HB3 GLN 4 1HB GLN 4 0.376 -8.191 -7.456 26 HG2 GLN 4 2HG GLN 4 0.108 -10.620 -6.928 27 HG3 GLN 4 1HG GLN 4 0.801 -10.297 -8.513 28 HE21 GLN 4 1HE2 GLN 4 2.883 -10.990 -8.968 29 HE22 GLN 4 2HE2 GLN 4 3.817 -11.976 -7.898 30 H GLU 5 H GLU 5 4.270 -9.346 -8.947 31 HA GLU 5 HA GLU 5 3.698 -8.047 -11.476 32 HB2 GLU 5 2HB GLU 5 5.711 -10.272 -10.934 33 HB3 GLU 5 1HB GLU 5 5.662 -9.185 -12.325 34 HG2 GLU 5 2HG GLU 5 6.047 -7.282 -10.625 35 HG3 GLU 5 1HG GLU 5 6.435 -8.548 -9.461 36 H PHE 6 H PHE 6 2.252 -8.798 -12.836 37 HA PHE 6 HA PHE 6 1.510 -11.660 -12.925 38 HB2 PHE 6 2HB PHE 6 -0.060 -9.193 -13.800 39 HB3 PHE 6 1HB PHE 6 -0.610 -10.853 -13.979 40 HD1 PHE 6 HD1 PHE 6 -0.260 -8.042 -11.679 41 HD2 PHE 6 HD2 PHE 6 -1.231 -12.188 -11.951 42 HE1 PHE 6 HE1 PHE 6 -1.343 -7.933 -9.476 43 HE2 PHE 6 HE2 PHE 6 -2.306 -12.076 -9.743 44 HZ PHE 6 HZ PHE 6 -2.370 -9.949 -8.507 45 H ASP 7 H ASP 7 1.172 -12.576 -15.037 46 HA ASP 7 HA ASP 7 2.892 -11.585 -17.149 47 HB2 ASP 7 2HB ASP 7 1.016 -13.981 -16.968 48 HB3 ASP 7 1HB ASP 7 1.842 -13.570 -18.464 49 H ASN 8 H ASN 8 2.146 -11.160 -19.320 50 HA ASN 8 HA ASN 8 -0.125 -9.346 -19.403 51 HB2 ASN 8 2HB ASN 8 2.117 -8.851 -20.452 52 HB3 ASN 8 1HB ASN 8 1.830 -10.138 -21.614 53 HD21 ASN 8 1HD2 ASN 8 -0.617 -7.816 -20.465 54 HD22 ASN 8 2HD2 ASN 8 -0.808 -7.001 -21.974 55 H GLU 9 H GLU 9 -0.445 -12.420 -19.238 56 HA GLU 9 HA GLU 9 -2.135 -12.932 -21.583 57 HB2 GLU 9 2HB GLU 9 -0.406 -14.622 -20.689 58 HB3 GLU 9 1HB GLU 9 -1.457 -14.846 -19.299 59 HG2 GLU 9 2HG GLU 9 -1.744 -16.632 -20.959 60 HG3 GLU 9 1HG GLU 9 -3.238 -15.715 -20.732 61 H GLU 10 H GLU 10 -2.882 -10.899 -19.764 62 HA GLU 10 HA GLU 10 -4.725 -9.940 -18.941 63 HB2 GLU 10 2HB GLU 10 -5.937 -11.395 -20.633 64 HB3 GLU 10 1HB GLU 10 -6.225 -12.563 -19.351 65 HG2 GLU 10 2HG GLU 10 -7.542 -10.862 -18.115 66 HG3 GLU 10 1HG GLU 10 -7.242 -9.697 -19.403 67 H GLU 11 H GLU 11 -2.873 -11.898 -17.316 68 HA GLU 11 HA GLU 11 -4.384 -12.716 -15.038 69 HB2 GLU 11 2HB GLU 11 -1.394 -12.135 -15.184 70 HB3 GLU 11 1HB GLU 11 -2.222 -13.008 -13.893 71 HG2 GLU 11 2HG GLU 11 -2.927 -14.683 -15.703 72 HG3 GLU 11 1HG GLU 11 -1.741 -13.893 -16.746 73 H ALA 12 H ALA 12 -2.633 -9.795 -15.866 74 HA ALA 12 HA ALA 12 -2.606 -8.476 -13.368 75 HB1 ALA 12 1HB ALA 12 -1.178 -7.817 -15.271 76 HB2 ALA 12 2HB ALA 12 -2.117 -6.444 -14.677 77 HB3 ALA 12 3HB ALA 12 -2.604 -7.274 -16.159 78 H ARG 13 H ARG 13 -4.909 -8.476 -16.034 79 HA ARG 13 HA ARG 13 -6.679 -6.468 -14.937 80 HB2 ARG 13 2HB ARG 13 -7.054 -8.359 -17.302 81 HB3 ARG 13 1HB ARG 13 -8.015 -6.915 -16.962 82 HG2 ARG 13 2HG ARG 13 -5.020 -6.856 -17.508 83 HG3 ARG 13 1HG ARG 13 -6.243 -6.661 -18.766 84 HD2 ARG 13 2HD ARG 13 -6.051 -4.842 -16.333 85 HD3 ARG 13 1HD ARG 13 -5.246 -4.507 -17.871 86 HE ARG 13 HE ARG 13 -7.937 -4.991 -18.425 87 HH11 ARG 13 1HH1 ARG 13 -6.173 -2.600 -16.586 88 HH12 ARG 13 2HH1 ARG 13 -7.248 -1.307 -17.003 89 HH21 ARG 13 1HH2 ARG 13 -9.356 -3.289 -18.947 90 HH22 ARG 13 2HH2 ARG 13 -9.045 -1.696 -18.337 91 H LYS 14 H LYS 14 -6.480 -9.948 -15.011 92 HA LYS 14 HA LYS 14 -9.157 -10.624 -14.306 93 HB2 LYS 14 2HB LYS 14 -7.544 -12.157 -15.434 94 HB3 LYS 14 1HB LYS 14 -6.575 -12.210 -13.967 95 HG2 LYS 14 2HG LYS 14 -8.405 -13.357 -12.789 96 HG3 LYS 14 1HG LYS 14 -9.423 -13.238 -14.232 97 HD2 LYS 14 2HD LYS 14 -7.733 -14.619 -15.479 98 HD3 LYS 14 1HD LYS 14 -6.813 -14.795 -13.982 99 HE2 LYS 14 2HE LYS 14 -8.155 -16.793 -14.387 100 HE3 LYS 14 1HE LYS 14 -8.757 -15.956 -12.958 101 HZ1 LYS 14 1HZ LYS 14 -9.936 -15.762 -15.676 102 HZ2 LYS 14 2HZ LYS 14 -10.536 -15.022 -14.278 103 HZ3 LYS 14 3HZ LYS 14 -10.540 -16.708 -14.411 104 H ALA 15 H ALA 15 -6.207 -10.019 -12.457 105 HA ALA 15 HA ALA 15 -7.422 -10.542 -9.874 106 HB1 ALA 15 1HB ALA 15 -5.022 -10.933 -10.235 107 HB2 ALA 15 2HB ALA 15 -5.289 -9.753 -8.951 108 HB3 ALA 15 3HB ALA 15 -4.777 -9.217 -10.555 109 H GLU 16 H GLU 16 -6.726 -7.786 -11.914 110 HA GLU 16 HA GLU 16 -6.873 -5.601 -10.230 111 HB2 GLU 16 2HB GLU 16 -6.186 -5.601 -12.617 112 HB3 GLU 16 1HB GLU 16 -7.860 -5.850 -13.102 113 HG2 GLU 16 2HG GLU 16 -8.390 -3.622 -12.024 114 HG3 GLU 16 1HG GLU 16 -6.654 -3.391 -11.814 115 H LYS 17 H LYS 17 -9.566 -7.198 -11.936 116 HA LYS 17 HA LYS 17 -11.663 -5.482 -11.207 117 HB2 LYS 17 2HB LYS 17 -13.181 -7.390 -11.739 118 HB3 LYS 17 1HB LYS 17 -11.958 -7.123 -12.977 119 HG2 LYS 17 2HG LYS 17 -10.679 -9.040 -12.250 120 HG3 LYS 17 1HG LYS 17 -11.688 -9.246 -10.818 121 HD2 LYS 17 2HD LYS 17 -12.893 -9.460 -13.599 122 HD3 LYS 17 1HD LYS 17 -12.043 -10.827 -12.881 123 HE2 LYS 17 2HE LYS 17 -14.478 -10.994 -12.531 124 HE3 LYS 17 1HE LYS 17 -13.621 -10.857 -11.002 125 HZ1 LYS 17 1HZ LYS 17 -14.304 -8.610 -10.785 126 HZ2 LYS 17 2HZ LYS 17 -15.677 -9.508 -11.176 127 HZ3 LYS 17 3HZ LYS 17 -14.922 -8.564 -12.355 128 H GLU 18 H GLU 18 -10.179 -8.130 -9.434 129 HA GLU 18 HA GLU 18 -12.288 -8.299 -7.445 130 HB2 GLU 18 2HB GLU 18 -11.000 -10.300 -8.261 131 HB3 GLU 18 1HB GLU 18 -9.561 -9.662 -7.478 132 HG2 GLU 18 2HG GLU 18 -10.645 -11.424 -6.138 133 HG3 GLU 18 1HG GLU 18 -10.596 -9.878 -5.285 134 H LEU 19 H LEU 19 -8.977 -7.065 -7.669 135 HA LEU 19 HA LEU 19 -8.518 -6.399 -4.967 136 HB2 LEU 19 2HB LEU 19 -7.385 -5.211 -7.525 137 HB3 LEU 19 1HB LEU 19 -6.752 -4.849 -5.925 138 HG LEU 19 HG LEU 19 -6.803 -7.656 -7.128 139 HD11 LEU 19 1HD1 LEU 19 -4.397 -7.402 -7.534 140 HD12 LEU 19 2HD1 LEU 19 -4.473 -5.714 -7.020 141 HD13 LEU 19 3HD1 LEU 19 -5.335 -6.237 -8.470 142 HD21 LEU 19 1HD2 LEU 19 -5.355 -6.588 -4.673 143 HD22 LEU 19 2HD2 LEU 19 -5.239 -8.229 -5.317 144 HD23 LEU 19 3HD2 LEU 19 -6.770 -7.647 -4.669 145 H ARG 20 H ARG 20 -10.030 -4.608 -7.606 146 HA ARG 20 HA ARG 20 -10.277 -2.125 -6.117 147 HB2 ARG 20 2HB ARG 20 -11.246 -2.952 -8.870 148 HB3 ARG 20 1HB ARG 20 -11.488 -1.339 -8.194 149 HG2 ARG 20 2HG ARG 20 -9.059 -0.981 -8.109 150 HG3 ARG 20 1HG ARG 20 -8.775 -2.629 -8.692 151 HD2 ARG 20 2HD ARG 20 -10.212 -0.428 -10.227 152 HD3 ARG 20 1HD ARG 20 -8.548 -0.951 -10.497 153 HE ARG 20 HE ARG 20 -9.609 -3.221 -10.969 154 HH11 ARG 20 1HH1 ARG 20 -11.251 -0.224 -11.739 155 HH12 ARG 20 2HH1 ARG 20 -12.118 -0.912 -13.076 156 HH21 ARG 20 1HH2 ARG 20 -10.733 -4.102 -12.712 157 HH22 ARG 20 2HH2 ARG 20 -11.825 -3.115 -13.622 158 H LYS 21 H LYS 21 -12.121 -4.983 -6.215 159 HA LYS 21 HA LYS 21 -14.777 -4.050 -6.013 160 HB2 LYS 21 2HB LYS 21 -14.232 -6.452 -6.267 161 HB3 LYS 21 1HB LYS 21 -13.500 -6.474 -4.664 162 HG2 LYS 21 2HG LYS 21 -15.733 -5.946 -3.670 163 HG3 LYS 21 1HG LYS 21 -16.447 -6.024 -5.287 164 HD2 LYS 21 2HD LYS 21 -15.891 -8.391 -5.472 165 HD3 LYS 21 1HD LYS 21 -14.967 -8.336 -3.971 166 HE2 LYS 21 2HE LYS 21 -17.139 -7.728 -2.791 167 HE3 LYS 21 1HE LYS 21 -17.970 -8.097 -4.303 168 HZ1 LYS 21 1HZ LYS 21 -17.073 -10.344 -4.179 169 HZ2 LYS 21 2HZ LYS 21 -18.009 -9.974 -2.823 170 HZ3 LYS 21 3HZ LYS 21 -16.323 -9.980 -2.704 171 H GLU 22 H GLU 22 -12.291 -4.552 -3.496 172 HA GLU 22 HA GLU 22 -13.718 -2.662 -1.712 173 HB2 GLU 22 2HB GLU 22 -12.910 -4.975 -0.840 174 HB3 GLU 22 1HB GLU 22 -11.273 -4.336 -0.957 175 HG2 GLU 22 2HG GLU 22 -11.861 -2.549 0.646 176 HG3 GLU 22 1HG GLU 22 -13.511 -3.160 0.725 177 H ASN 23 H ASN 23 -11.968 -1.103 -0.551 178 HA ASN 23 HA ASN 23 -10.932 0.479 -2.712 179 HB2 ASN 23 2HB ASN 23 -10.754 0.941 0.292 180 HB3 ASN 23 1HB ASN 23 -10.313 2.125 -0.934 181 HD21 ASN 23 1HD2 ASN 23 -12.313 2.264 1.189 182 HD22 ASN 23 2HD2 ASN 23 -13.816 2.601 0.408 183 H ARG 24 H ARG 24 -9.352 -1.177 -3.448 184 HA ARG 24 HA ARG 24 -6.689 -0.441 -2.384 185 HB2 ARG 24 2HB ARG 24 -7.650 -3.148 -3.329 186 HB3 ARG 24 1HB ARG 24 -6.023 -2.680 -3.777 187 HG2 ARG 24 2HG ARG 24 -5.886 -4.031 -1.803 188 HG3 ARG 24 1HG ARG 24 -5.469 -2.373 -1.359 189 HD2 ARG 24 2HD ARG 24 -7.713 -2.057 -0.416 190 HD3 ARG 24 1HD ARG 24 -8.168 -3.693 -0.907 191 HE ARG 24 HE ARG 24 -5.851 -3.481 0.859 192 HH11 ARG 24 1HH1 ARG 24 -9.280 -4.131 0.619 193 HH12 ARG 24 2HH1 ARG 24 -9.409 -4.765 2.224 194 HH21 ARG 24 1HH2 ARG 24 -6.019 -4.360 2.965 195 HH22 ARG 24 2HH2 ARG 24 -7.553 -4.917 3.547 196 H ARG 25 H ARG 25 -6.418 1.293 -3.699 197 HA ARG 25 HA ARG 25 -6.982 1.487 -6.455 198 HB2 ARG 25 2HB ARG 25 -6.374 3.424 -4.883 199 HB3 ARG 25 1HB ARG 25 -4.701 2.881 -4.978 200 HG2 ARG 25 2HG ARG 25 -5.079 3.143 -7.595 201 HG3 ARG 25 1HG ARG 25 -6.410 4.194 -7.097 202 HD2 ARG 25 2HD ARG 25 -3.450 4.517 -6.495 203 HD3 ARG 25 1HD ARG 25 -4.464 5.565 -7.489 204 HE ARG 25 HE ARG 25 -5.531 5.547 -4.908 205 HH11 ARG 25 1HH1 ARG 25 -2.638 6.692 -6.542 206 HH12 ARG 25 2HH1 ARG 25 -2.321 7.924 -5.364 207 HH21 ARG 25 1HH2 ARG 25 -5.082 7.136 -3.365 208 HH22 ARG 25 2HH2 ARG 25 -3.701 8.167 -3.559 209 H VAL 26 H VAL 26 -6.029 0.317 -8.064 210 HA VAL 26 HA VAL 26 -3.308 -0.801 -7.652 211 HB VAL 26 HB VAL 26 -3.865 -2.429 -9.423 212 HG11 VAL 26 1HG1 VAL 26 -5.938 -2.327 -7.184 213 HG12 VAL 26 2HG1 VAL 26 -4.318 -3.025 -7.087 214 HG13 VAL 26 3HG1 VAL 26 -5.527 -3.759 -8.138 215 HG21 VAL 26 1HG2 VAL 26 -5.445 -1.132 -10.788 216 HG22 VAL 26 2HG2 VAL 26 -6.635 -1.151 -9.486 217 HG23 VAL 26 3HG2 VAL 26 -6.186 -2.657 -10.294 218 H THR 27 H THR 27 -1.678 -0.273 -8.981 219 HA THR 27 HA THR 27 -2.165 1.129 -11.518 220 HB THR 27 HB THR 27 -0.090 1.947 -9.435 221 HG1 THR 27 HG1 THR 27 -2.298 2.720 -9.185 222 HG21 THR 27 1HG2 THR 27 0.571 3.741 -11.020 223 HG22 THR 27 2HG2 THR 27 -0.494 3.051 -12.249 224 HG23 THR 27 3HG2 THR 27 0.909 2.139 -11.682 225 H VAL 28 H VAL 28 -1.559 -0.338 -12.950 226 HA VAL 28 HA VAL 28 0.567 -2.251 -12.431 227 HB VAL 28 HB VAL 28 -1.468 -3.123 -13.421 228 HG11 VAL 28 1HG1 VAL 28 -1.068 -1.293 -15.815 229 HG12 VAL 28 2HG1 VAL 28 -2.342 -1.146 -14.601 230 HG13 VAL 28 3HG1 VAL 28 -2.300 -2.552 -15.670 231 HG21 VAL 28 1HG2 VAL 28 -0.539 -4.351 -15.336 232 HG22 VAL 28 2HG2 VAL 28 0.650 -4.214 -14.038 233 HG23 VAL 28 3HG2 VAL 28 0.776 -3.177 -15.463 234 H THR 29 H THR 29 2.455 -1.156 -12.444 235 HA THR 29 HA THR 29 3.154 0.682 -14.587 236 HB THR 29 HB THR 29 3.863 1.454 -12.460 237 HG1 THR 29 HG1 THR 29 5.480 2.061 -13.714 238 HG21 THR 29 1HG2 THR 29 5.419 0.266 -10.961 239 HG22 THR 29 2HG2 THR 29 5.369 -1.149 -12.016 240 HG23 THR 29 3HG2 THR 29 3.914 -0.628 -11.159 241 H GLN 30 H GLN 30 2.889 -0.954 -16.203 242 HA GLN 30 HA GLN 30 4.850 -2.970 -16.681 243 HB2 GLN 30 2HB GLN 30 3.995 -2.649 -19.172 244 HB3 GLN 30 1HB GLN 30 2.959 -3.383 -17.967 245 HG2 GLN 30 2HG GLN 30 1.755 -1.808 -19.434 246 HG3 GLN 30 1HG GLN 30 1.681 -1.354 -17.727 247 HE21 GLN 30 1HE2 GLN 30 3.041 -0.541 -20.863 248 HE22 GLN 30 2HE2 GLN 30 3.494 1.082 -20.450 249 H GLU 31 H GLU 31 5.026 0.399 -16.811 250 HA GLU 31 HA GLU 31 7.022 1.024 -18.641 251 HB2 GLU 31 2HB GLU 31 6.683 2.137 -15.808 252 HB3 GLU 31 1HB GLU 31 7.546 2.924 -17.131 253 HG2 GLU 31 2HG GLU 31 4.564 2.329 -17.104 254 HG3 GLU 31 1HG GLU 31 5.287 3.876 -16.668 255 H ASN 32 H ASN 32 7.250 -0.402 -15.391 256 HA ASN 32 HA ASN 32 10.188 -0.714 -15.596 257 HB2 ASN 32 2HB ASN 32 8.277 -0.854 -13.227 258 HB3 ASN 32 1HB ASN 32 9.935 -1.426 -13.121 259 HD21 ASN 32 1HD2 ASN 32 8.972 1.489 -14.928 260 HD22 ASN 32 2HD2 ASN 32 9.751 2.600 -13.873 261 H GLY 33 H GLY 33 10.372 -2.496 -16.953 262 HA2 GLY 33 2HA GLY 33 10.939 -4.730 -17.139 263 HA3 GLY 33 1HA GLY 33 10.215 -5.034 -15.575 264 H ARG 34 H ARG 34 7.806 -5.112 -15.520 265 HA ARG 34 HA ARG 34 6.453 -5.982 -17.957 266 HB2 ARG 34 2HB ARG 34 5.862 -8.206 -17.031 267 HB3 ARG 34 1HB ARG 34 7.608 -8.031 -17.200 268 HG2 ARG 34 2HG ARG 34 7.706 -7.481 -14.726 269 HG3 ARG 34 1HG ARG 34 5.990 -7.896 -14.632 270 HD2 ARG 34 2HD ARG 34 7.410 -9.783 -13.931 271 HD3 ARG 34 1HD ARG 34 6.495 -10.190 -15.389 272 HE ARG 34 HE ARG 34 8.880 -9.231 -16.332 273 HH11 ARG 34 1HH1 ARG 34 8.090 -11.827 -14.107 274 HH12 ARG 34 2HH1 ARG 34 9.450 -12.788 -14.581 275 HH21 ARG 34 1HH2 ARG 34 10.635 -10.499 -16.942 276 HH22 ARG 34 2HH2 ARG 34 10.900 -12.036 -16.180 277 H TRP 35 H TRP 35 4.184 -7.029 -16.994 278 HA TRP 35 HA TRP 35 2.805 -4.733 -15.993 279 HB2 TRP 35 2HB TRP 35 1.814 -7.554 -16.615 280 HB3 TRP 35 1HB TRP 35 0.763 -6.205 -16.187 281 HD1 TRP 35 HD1 TRP 35 3.299 -7.172 -18.978 282 HE1 TRP 35 HE1 TRP 35 2.604 -5.987 -21.148 283 HE3 TRP 35 HE3 TRP 35 -0.638 -4.402 -17.200 284 HZ2 TRP 35 HZ2 TRP 35 0.686 -4.116 -21.999 285 HZ3 TRP 35 HZ3 TRP 35 -1.842 -2.930 -18.763 286 HH2 TRP 35 HH2 TRP 35 -1.192 -2.793 -21.119 287 H ARG 36 H ARG 36 3.912 -4.490 -13.970 288 HA ARG 36 HA ARG 36 3.196 -6.368 -11.813 289 HB2 ARG 36 2HB ARG 36 4.953 -5.097 -10.490 290 HB3 ARG 36 1HB ARG 36 5.545 -5.996 -11.880 291 HG2 ARG 36 2HG ARG 36 5.499 -3.810 -13.164 292 HG3 ARG 36 1HG ARG 36 5.209 -3.004 -11.621 293 HD2 ARG 36 2HD ARG 36 7.604 -4.780 -12.221 294 HD3 ARG 36 1HD ARG 36 7.614 -3.023 -12.343 295 HE ARG 36 HE ARG 36 6.924 -3.190 -9.836 296 HH11 ARG 36 1HH1 ARG 36 9.111 -5.467 -11.374 297 HH12 ARG 36 2HH1 ARG 36 10.169 -5.551 -10.002 298 HH21 ARG 36 1HH2 ARG 36 8.344 -3.288 -8.064 299 HH22 ARG 36 2HH2 ARG 36 9.744 -4.309 -8.129 300 H VAL 37 H VAL 37 1.355 -5.925 -10.985 301 HA VAL 37 HA VAL 37 0.101 -3.337 -10.883 302 HB VAL 37 HB VAL 37 -0.775 -6.038 -9.748 303 HG11 VAL 37 1HG1 VAL 37 -2.386 -3.469 -10.024 304 HG12 VAL 37 2HG1 VAL 37 -1.879 -4.217 -8.507 305 HG13 VAL 37 3HG1 VAL 37 -3.040 -5.040 -9.549 306 HG21 VAL 37 1HG2 VAL 37 -1.653 -4.586 -12.279 307 HG22 VAL 37 2HG2 VAL 37 -2.285 -6.132 -11.704 308 HG23 VAL 37 3HG2 VAL 37 -0.602 -6.005 -12.220 309 H THR 38 H THR 38 1.282 -2.009 -9.570 310 HA THR 38 HA THR 38 1.924 -2.637 -6.812 311 HB THR 38 HB THR 38 2.006 0.118 -8.135 312 HG1 THR 38 HG1 THR 38 4.195 -0.439 -8.655 313 HG21 THR 38 1HG2 THR 38 2.326 0.107 -5.667 314 HG22 THR 38 2HG2 THR 38 3.820 0.548 -6.495 315 HG23 THR 38 3HG2 THR 38 3.626 -1.079 -5.835 316 H TRP 39 H TRP 39 0.353 -2.591 -5.273 317 HA TRP 39 HA TRP 39 -2.084 -0.973 -5.731 318 HB2 TRP 39 2HB TRP 39 -3.138 -2.542 -4.007 319 HB3 TRP 39 1HB TRP 39 -2.698 -3.280 -5.541 320 HD1 TRP 39 HD1 TRP 39 -0.763 -5.130 -5.514 321 HE1 TRP 39 HE1 TRP 39 0.323 -6.485 -3.619 322 HE3 TRP 39 HE3 TRP 39 -2.387 -2.397 -1.484 323 HZ2 TRP 39 HZ2 TRP 39 0.486 -6.422 -0.813 324 HZ3 TRP 39 HZ3 TRP 39 -1.716 -3.118 0.775 325 HH2 TRP 39 HH2 TRP 39 -0.306 -5.093 1.104 326 H ASP 40 H ASP 40 -2.581 0.661 -4.411 327 HA ASP 40 HA ASP 40 -1.106 1.408 -2.068 328 HB2 ASP 40 2HB ASP 40 -3.671 2.483 -3.323 329 HB3 ASP 40 1HB ASP 40 -3.037 3.108 -1.801 Start of MODEL 6 1 HA THR 1 HA THR 1 5.862 -9.274 -2.471 2 HB THR 1 HB THR 1 5.268 -10.409 -4.666 3 HG1 THR 1 HG1 THR 1 3.506 -11.586 -4.568 4 HG21 THR 1 1HG2 THR 1 7.302 -11.096 -3.439 5 HG22 THR 1 2HG2 THR 1 6.564 -12.467 -4.268 6 HG23 THR 1 3HG2 THR 1 6.357 -12.271 -2.526 7 H GLN 2 H GLN 2 4.661 -7.434 -1.842 8 HA GLN 2 HA GLN 2 1.957 -7.017 -2.798 9 HB2 GLN 2 2HB GLN 2 3.950 -5.159 -1.452 10 HB3 GLN 2 1HB GLN 2 2.375 -4.616 -2.011 11 HG2 GLN 2 2HG GLN 2 2.177 -5.011 0.319 12 HG3 GLN 2 1HG GLN 2 1.309 -6.310 -0.497 13 HE21 GLN 2 1HE2 GLN 2 4.102 -5.473 1.421 14 HE22 GLN 2 2HE2 GLN 2 4.543 -7.084 1.860 15 H THR 3 H THR 3 5.211 -6.262 -3.886 16 HA THR 3 HA THR 3 4.200 -5.101 -6.391 17 HB THR 3 HB THR 3 6.688 -4.959 -6.964 18 HG1 THR 3 HG1 THR 3 7.191 -5.416 -4.217 19 HG21 THR 3 1HG2 THR 3 5.492 -2.988 -6.080 20 HG22 THR 3 2HG2 THR 3 7.151 -3.034 -5.486 21 HG23 THR 3 3HG2 THR 3 5.834 -3.519 -4.424 22 H GLN 4 H GLN 4 3.207 -6.750 -7.437 23 HA GLN 4 HA GLN 4 4.593 -9.358 -7.735 24 HB2 GLN 4 2HB GLN 4 2.528 -9.456 -6.335 25 HB3 GLN 4 1HB GLN 4 1.595 -8.785 -7.663 26 HG2 GLN 4 2HG GLN 4 1.318 -11.242 -7.409 27 HG3 GLN 4 1HG GLN 4 1.917 -10.770 -8.999 28 HE21 GLN 4 1HE2 GLN 4 3.921 -11.514 -9.668 29 HE22 GLN 4 2HE2 GLN 4 4.898 -12.602 -8.742 30 H GLU 5 H GLU 5 5.132 -9.914 -9.761 31 HA GLU 5 HA GLU 5 4.318 -8.267 -12.014 32 HB2 GLU 5 2HB GLU 5 5.985 -9.724 -13.295 33 HB3 GLU 5 1HB GLU 5 6.627 -8.710 -12.018 34 HG2 GLU 5 2HG GLU 5 6.578 -10.778 -10.520 35 HG3 GLU 5 1HG GLU 5 6.261 -11.713 -11.985 36 H PHE 6 H PHE 6 3.152 -8.852 -13.711 37 HA PHE 6 HA PHE 6 1.723 -11.443 -13.721 38 HB2 PHE 6 2HB PHE 6 0.521 -8.663 -14.130 39 HB3 PHE 6 1HB PHE 6 -0.345 -10.178 -14.343 40 HD1 PHE 6 HD1 PHE 6 0.246 -7.554 -12.085 41 HD2 PHE 6 HD2 PHE 6 -0.276 -11.789 -12.190 42 HE1 PHE 6 HE1 PHE 6 -0.460 -7.532 -9.730 43 HE2 PHE 6 HE2 PHE 6 -0.985 -11.760 -9.838 44 HZ PHE 6 HZ PHE 6 -1.083 -9.631 -8.604 45 H ASP 7 H ASP 7 1.560 -12.354 -15.742 46 HA ASP 7 HA ASP 7 2.991 -10.938 -17.932 47 HB2 ASP 7 2HB ASP 7 3.039 -13.912 -17.279 48 HB3 ASP 7 1HB ASP 7 3.928 -13.128 -18.582 49 H ASN 8 H ASN 8 0.748 -10.239 -18.475 50 HA ASN 8 HA ASN 8 -0.477 -9.968 -20.339 51 HB2 ASN 8 2HB ASN 8 0.984 -12.425 -21.361 52 HB3 ASN 8 1HB ASN 8 -0.029 -11.384 -22.357 53 HD21 ASN 8 1HD2 ASN 8 0.701 -9.291 -22.881 54 HD22 ASN 8 2HD2 ASN 8 2.358 -8.831 -22.698 55 H GLU 9 H GLU 9 -0.968 -12.805 -18.482 56 HA GLU 9 HA GLU 9 -3.150 -13.852 -20.132 57 HB2 GLU 9 2HB GLU 9 -1.994 -14.861 -17.515 58 HB3 GLU 9 1HB GLU 9 -3.226 -15.697 -18.455 59 HG2 GLU 9 2HG GLU 9 -1.571 -15.857 -20.337 60 HG3 GLU 9 1HG GLU 9 -0.343 -15.180 -19.268 61 H GLU 10 H GLU 10 -3.558 -11.241 -18.938 62 HA GLU 10 HA GLU 10 -5.084 -9.968 -17.872 63 HB2 GLU 10 2HB GLU 10 -6.630 -11.414 -19.233 64 HB3 GLU 10 1HB GLU 10 -6.804 -12.486 -17.850 65 HG2 GLU 10 2HG GLU 10 -7.882 -10.684 -16.570 66 HG3 GLU 10 1HG GLU 10 -7.653 -9.576 -17.929 67 H GLU 11 H GLU 11 -3.140 -11.651 -16.330 68 HA GLU 11 HA GLU 11 -4.184 -12.638 -13.905 69 HB2 GLU 11 2HB GLU 11 -1.377 -11.632 -14.531 70 HB3 GLU 11 1HB GLU 11 -1.809 -12.654 -13.165 71 HG2 GLU 11 2HG GLU 11 -2.099 -13.462 -16.077 72 HG3 GLU 11 1HG GLU 11 -0.706 -13.845 -15.068 73 H ALA 12 H ALA 12 -2.791 -9.500 -14.775 74 HA ALA 12 HA ALA 12 -2.842 -8.258 -12.227 75 HB1 ALA 12 1HB ALA 12 -2.534 -6.150 -13.471 76 HB2 ALA 12 2HB ALA 12 -2.937 -6.973 -14.981 77 HB3 ALA 12 3HB ALA 12 -1.473 -7.413 -14.100 78 H ARG 13 H ARG 13 -5.115 -8.381 -14.918 79 HA ARG 13 HA ARG 13 -7.033 -6.555 -13.773 80 HB2 ARG 13 2HB ARG 13 -7.435 -8.394 -16.167 81 HB3 ARG 13 1HB ARG 13 -8.338 -6.931 -15.779 82 HG2 ARG 13 2HG ARG 13 -5.437 -7.099 -16.667 83 HG3 ARG 13 1HG ARG 13 -6.801 -6.511 -17.620 84 HD2 ARG 13 2HD ARG 13 -5.708 -5.207 -15.093 85 HD3 ARG 13 1HD ARG 13 -5.414 -4.657 -16.746 86 HE ARG 13 HE ARG 13 -7.979 -4.543 -15.282 87 HH11 ARG 13 1HH1 ARG 13 -6.042 -3.467 -18.021 88 HH12 ARG 13 2HH1 ARG 13 -7.186 -2.245 -18.479 89 HH21 ARG 13 1HH2 ARG 13 -9.428 -2.927 -15.892 90 HH22 ARG 13 2HH2 ARG 13 -9.092 -1.936 -17.283 91 H LYS 14 H LYS 14 -6.360 -9.877 -13.400 92 HA LYS 14 HA LYS 14 -8.984 -10.779 -12.601 93 HB2 LYS 14 2HB LYS 14 -7.290 -12.345 -13.492 94 HB3 LYS 14 1HB LYS 14 -6.219 -11.981 -12.146 95 HG2 LYS 14 2HG LYS 14 -7.830 -12.996 -10.577 96 HG3 LYS 14 1HG LYS 14 -8.932 -13.332 -11.915 97 HD2 LYS 14 2HD LYS 14 -7.281 -14.860 -12.914 98 HD3 LYS 14 1HD LYS 14 -6.123 -14.476 -11.637 99 HE2 LYS 14 2HE LYS 14 -7.186 -16.632 -11.201 100 HE3 LYS 14 1HE LYS 14 -7.660 -15.463 -9.967 101 HZ1 LYS 14 1HZ LYS 14 -9.751 -15.138 -11.192 102 HZ2 LYS 14 2HZ LYS 14 -9.550 -16.735 -10.673 103 HZ3 LYS 14 3HZ LYS 14 -9.287 -16.334 -12.295 104 H ALA 15 H ALA 15 -6.009 -9.703 -10.968 105 HA ALA 15 HA ALA 15 -6.936 -9.789 -8.288 106 HB1 ALA 15 1HB ALA 15 -4.863 -7.944 -9.541 107 HB2 ALA 15 2HB ALA 15 -4.550 -9.531 -8.841 108 HB3 ALA 15 3HB ALA 15 -5.087 -8.206 -7.809 109 H GLU 16 H GLU 16 -6.991 -7.275 -10.784 110 HA GLU 16 HA GLU 16 -8.322 -5.251 -9.325 111 HB2 GLU 16 2HB GLU 16 -7.025 -4.847 -11.409 112 HB3 GLU 16 1HB GLU 16 -8.241 -5.721 -12.334 113 HG2 GLU 16 2HG GLU 16 -9.920 -3.959 -11.485 114 HG3 GLU 16 1HG GLU 16 -8.517 -3.037 -10.945 115 H LYS 17 H LYS 17 -9.492 -8.010 -11.191 116 HA LYS 17 HA LYS 17 -12.109 -7.318 -11.787 117 HB2 LYS 17 2HB LYS 17 -10.980 -9.305 -12.685 118 HB3 LYS 17 1HB LYS 17 -10.982 -10.054 -11.096 119 HG2 LYS 17 2HG LYS 17 -13.482 -10.140 -11.181 120 HG3 LYS 17 1HG LYS 17 -13.417 -9.471 -12.818 121 HD2 LYS 17 2HD LYS 17 -12.176 -11.443 -13.606 122 HD3 LYS 17 1HD LYS 17 -12.102 -12.088 -11.964 123 HE2 LYS 17 2HE LYS 17 -13.818 -13.238 -13.281 124 HE3 LYS 17 1HE LYS 17 -14.552 -12.340 -11.951 125 HZ1 LYS 17 1HZ LYS 17 -15.159 -10.596 -13.510 126 HZ2 LYS 17 2HZ LYS 17 -15.780 -12.082 -14.027 127 HZ3 LYS 17 3HZ LYS 17 -14.413 -11.432 -14.777 128 H GLU 18 H GLU 18 -10.793 -8.575 -8.785 129 HA GLU 18 HA GLU 18 -13.396 -8.733 -7.473 130 HB2 GLU 18 2HB GLU 18 -11.721 -10.477 -7.033 131 HB3 GLU 18 1HB GLU 18 -10.571 -9.269 -6.467 132 HG2 GLU 18 2HG GLU 18 -11.868 -8.819 -4.502 133 HG3 GLU 18 1HG GLU 18 -13.241 -9.743 -5.108 134 H LEU 19 H LEU 19 -10.373 -6.850 -7.225 135 HA LEU 19 HA LEU 19 -11.145 -5.356 -4.926 136 HB2 LEU 19 2HB LEU 19 -8.890 -4.937 -6.906 137 HB3 LEU 19 1HB LEU 19 -9.077 -4.007 -5.424 138 HG LEU 19 HG LEU 19 -8.590 -7.013 -5.573 139 HD11 LEU 19 1HD1 LEU 19 -6.595 -5.753 -6.191 140 HD12 LEU 19 2HD1 LEU 19 -6.380 -6.506 -4.613 141 HD13 LEU 19 3HD1 LEU 19 -6.721 -4.777 -4.725 142 HD21 LEU 19 1HD2 LEU 19 -9.978 -6.457 -3.624 143 HD22 LEU 19 2HD2 LEU 19 -8.815 -5.225 -3.123 144 HD23 LEU 19 3HD2 LEU 19 -8.356 -6.928 -3.126 145 H ARG 20 H ARG 20 -11.903 -4.902 -8.236 146 HA ARG 20 HA ARG 20 -11.991 -2.080 -8.423 147 HB2 ARG 20 2HB ARG 20 -13.409 -2.410 -10.425 148 HB3 ARG 20 1HB ARG 20 -11.988 -3.452 -10.432 149 HG2 ARG 20 2HG ARG 20 -13.393 -5.356 -9.673 150 HG3 ARG 20 1HG ARG 20 -14.815 -4.307 -9.727 151 HD2 ARG 20 2HD ARG 20 -13.062 -5.031 -12.107 152 HD3 ARG 20 1HD ARG 20 -14.641 -5.736 -11.737 153 HE ARG 20 HE ARG 20 -14.229 -2.863 -12.367 154 HH11 ARG 20 1HH1 ARG 20 -16.128 -5.792 -12.689 155 HH12 ARG 20 2HH1 ARG 20 -17.305 -5.047 -13.727 156 HH21 ARG 20 1HH2 ARG 20 -15.794 -1.897 -13.714 157 HH22 ARG 20 2HH2 ARG 20 -17.111 -2.857 -14.311 158 H LYS 21 H LYS 21 -14.132 -4.316 -6.897 159 HA LYS 21 HA LYS 21 -16.349 -2.490 -6.587 160 HB2 LYS 21 2HB LYS 21 -16.602 -4.980 -6.558 161 HB3 LYS 21 1HB LYS 21 -15.667 -5.054 -5.074 162 HG2 LYS 21 2HG LYS 21 -18.229 -3.448 -5.185 163 HG3 LYS 21 1HG LYS 21 -18.291 -5.199 -5.005 164 HD2 LYS 21 2HD LYS 21 -16.869 -4.993 -2.952 165 HD3 LYS 21 1HD LYS 21 -16.939 -3.239 -3.108 166 HE2 LYS 21 2HE LYS 21 -18.564 -4.019 -1.459 167 HE3 LYS 21 1HE LYS 21 -19.394 -3.321 -2.848 168 HZ1 LYS 21 1HZ LYS 21 -19.840 -5.519 -3.671 169 HZ2 LYS 21 2HZ LYS 21 -20.413 -5.379 -2.086 170 HZ3 LYS 21 3HZ LYS 21 -18.982 -6.219 -2.394 171 H GLU 22 H GLU 22 -13.776 -3.754 -4.414 172 HA GLU 22 HA GLU 22 -13.574 -1.210 -3.014 173 HB2 GLU 22 2HB GLU 22 -15.437 -2.386 -1.818 174 HB3 GLU 22 1HB GLU 22 -14.369 -3.739 -1.482 175 HG2 GLU 22 2HG GLU 22 -14.624 -2.318 0.483 176 HG3 GLU 22 1HG GLU 22 -12.954 -2.296 -0.083 177 H ASN 23 H ASN 23 -11.645 -0.966 -1.924 178 HA ASN 23 HA ASN 23 -9.473 -1.173 -1.403 179 HB2 ASN 23 2HB ASN 23 -9.995 -4.169 -1.529 180 HB3 ASN 23 1HB ASN 23 -8.471 -3.470 -1.005 181 HD21 ASN 23 1HD2 ASN 23 -8.433 -2.234 0.967 182 HD22 ASN 23 2HD2 ASN 23 -9.636 -2.512 2.181 183 H ARG 24 H ARG 24 -10.326 -0.869 -4.189 184 HA ARG 24 HA ARG 24 -8.346 -2.211 -5.820 185 HB2 ARG 24 2HB ARG 24 -10.518 -1.399 -6.790 186 HB3 ARG 24 1HB ARG 24 -9.994 0.260 -6.531 187 HG2 ARG 24 2HG ARG 24 -8.132 -0.060 -8.100 188 HG3 ARG 24 1HG ARG 24 -8.593 -1.746 -8.336 189 HD2 ARG 24 2HD ARG 24 -9.337 -0.279 -10.199 190 HD3 ARG 24 1HD ARG 24 -10.686 -1.072 -9.390 191 HE ARG 24 HE ARG 24 -11.140 1.038 -8.244 192 HH11 ARG 24 1HH1 ARG 24 -9.083 1.278 -11.078 193 HH12 ARG 24 2HH1 ARG 24 -9.504 2.932 -11.382 194 HH21 ARG 24 1HH2 ARG 24 -11.701 3.190 -8.684 195 HH22 ARG 24 2HH2 ARG 24 -10.994 4.010 -10.039 196 H ARG 25 H ARG 25 -6.533 -1.744 -4.510 197 HA ARG 25 HA ARG 25 -5.319 0.925 -4.986 198 HB2 ARG 25 2HB ARG 25 -4.774 -1.067 -2.721 199 HB3 ARG 25 1HB ARG 25 -3.956 0.483 -2.933 200 HG2 ARG 25 2HG ARG 25 -6.917 0.097 -2.357 201 HG3 ARG 25 1HG ARG 25 -5.691 0.588 -1.181 202 HD2 ARG 25 2HD ARG 25 -5.344 2.687 -2.300 203 HD3 ARG 25 1HD ARG 25 -6.289 2.176 -3.702 204 HE ARG 25 HE ARG 25 -7.672 2.323 -1.130 205 HH11 ARG 25 1HH1 ARG 25 -7.048 3.872 -4.221 206 HH12 ARG 25 2HH1 ARG 25 -8.452 4.880 -4.131 207 HH21 ARG 25 1HH2 ARG 25 -9.524 3.653 -1.036 208 HH22 ARG 25 2HH2 ARG 25 -9.851 4.759 -2.331 209 H VAL 26 H VAL 26 -5.287 -0.605 -7.039 210 HA VAL 26 HA VAL 26 -2.702 -2.055 -7.148 211 HB VAL 26 HB VAL 26 -3.615 -3.223 -9.196 212 HG11 VAL 26 1HG1 VAL 26 -5.064 -4.826 -7.982 213 HG12 VAL 26 2HG1 VAL 26 -5.232 -3.673 -6.656 214 HG13 VAL 26 3HG1 VAL 26 -3.654 -4.370 -7.027 215 HG21 VAL 26 1HG2 VAL 26 -6.057 -3.231 -9.652 216 HG22 VAL 26 2HG2 VAL 26 -5.374 -1.618 -9.861 217 HG23 VAL 26 3HG2 VAL 26 -6.296 -2.000 -8.406 218 H THR 27 H THR 27 -1.173 -1.092 -8.294 219 HA THR 27 HA THR 27 -1.850 0.737 -10.506 220 HB THR 27 HB THR 27 0.300 1.308 -8.407 221 HG1 THR 27 HG1 THR 27 -1.958 1.661 -7.780 222 HG21 THR 27 1HG2 THR 27 0.539 3.487 -9.557 223 HG22 THR 27 2HG2 THR 27 -0.640 2.986 -10.768 224 HG23 THR 27 3HG2 THR 27 0.914 2.157 -10.657 225 H VAL 28 H VAL 28 -0.968 -0.113 -12.323 226 HA VAL 28 HA VAL 28 1.175 -2.002 -12.269 227 HB VAL 28 HB VAL 28 -0.497 -2.029 -14.086 228 HG11 VAL 28 1HG1 VAL 28 0.739 0.554 -15.093 229 HG12 VAL 28 2HG1 VAL 28 -0.881 0.365 -14.423 230 HG13 VAL 28 3HG1 VAL 28 -0.466 -0.415 -15.950 231 HG21 VAL 28 1HG2 VAL 28 1.672 -3.115 -14.488 232 HG22 VAL 28 2HG2 VAL 28 2.337 -1.610 -15.126 233 HG23 VAL 28 3HG2 VAL 28 1.042 -2.441 -15.993 234 H THR 29 H THR 29 3.252 -1.609 -12.115 235 HA THR 29 HA THR 29 4.473 0.930 -12.036 236 HB THR 29 HB THR 29 5.793 -1.812 -12.357 237 HG1 THR 29 HG1 THR 29 4.490 -0.603 -10.237 238 HG21 THR 29 1HG2 THR 29 6.908 0.787 -11.206 239 HG22 THR 29 2HG2 THR 29 7.367 0.071 -12.754 240 HG23 THR 29 3HG2 THR 29 7.739 -0.765 -11.248 241 H GLN 30 H GLN 30 4.564 2.142 -13.834 242 HA GLN 30 HA GLN 30 4.639 1.182 -16.511 243 HB2 GLN 30 2HB GLN 30 3.680 3.382 -15.837 244 HB3 GLN 30 1HB GLN 30 5.289 3.967 -15.427 245 HG2 GLN 30 2HG GLN 30 5.966 3.767 -17.781 246 HG3 GLN 30 1HG GLN 30 4.379 3.124 -18.197 247 HE21 GLN 30 1HE2 GLN 30 3.969 4.779 -19.660 248 HE22 GLN 30 2HE2 GLN 30 3.627 6.398 -19.167 249 H GLU 31 H GLU 31 6.354 -0.219 -16.664 250 HA GLU 31 HA GLU 31 9.084 0.920 -16.706 251 HB2 GLU 31 2HB GLU 31 8.795 -0.556 -14.717 252 HB3 GLU 31 1HB GLU 31 8.273 -1.874 -15.763 253 HG2 GLU 31 2HG GLU 31 10.544 -1.727 -16.899 254 HG3 GLU 31 1HG GLU 31 11.025 -0.602 -15.632 255 H ASN 32 H ASN 32 10.194 0.497 -18.553 256 HA ASN 32 HA ASN 32 9.007 -1.054 -20.713 257 HB2 ASN 32 2HB ASN 32 11.679 0.418 -20.574 258 HB3 ASN 32 1HB ASN 32 10.998 -0.304 -22.028 259 HD21 ASN 32 1HD2 ASN 32 11.743 2.471 -21.546 260 HD22 ASN 32 2HD2 ASN 32 10.318 3.417 -21.798 261 H GLY 33 H GLY 33 9.005 -3.064 -19.478 262 HA2 GLY 33 2HA GLY 33 11.069 -4.848 -20.137 263 HA3 GLY 33 1HA GLY 33 11.330 -4.327 -18.474 264 H ARG 34 H ARG 34 9.349 -4.474 -17.028 265 HA ARG 34 HA ARG 34 7.842 -6.968 -17.597 266 HB2 ARG 34 2HB ARG 34 9.909 -7.084 -15.938 267 HB3 ARG 34 1HB ARG 34 8.826 -6.296 -14.804 268 HG2 ARG 34 2HG ARG 34 8.704 -8.639 -14.348 269 HG3 ARG 34 1HG ARG 34 7.196 -8.208 -15.165 270 HD2 ARG 34 2HD ARG 34 8.114 -9.062 -17.305 271 HD3 ARG 34 1HD ARG 34 9.621 -9.492 -16.485 272 HE ARG 34 HE ARG 34 6.987 -10.699 -15.859 273 HH11 ARG 34 1HH1 ARG 34 10.463 -11.076 -16.158 274 HH12 ARG 34 2HH1 ARG 34 10.409 -12.794 -15.947 275 HH21 ARG 34 1HH2 ARG 34 6.924 -12.935 -15.607 276 HH22 ARG 34 2HH2 ARG 34 8.400 -13.854 -15.627 277 H TRP 35 H TRP 35 5.719 -6.837 -17.240 278 HA TRP 35 HA TRP 35 4.495 -4.392 -16.253 279 HB2 TRP 35 2HB TRP 35 3.318 -6.972 -17.389 280 HB3 TRP 35 1HB TRP 35 2.336 -5.610 -16.855 281 HD1 TRP 35 HD1 TRP 35 1.963 -3.671 -18.577 282 HE1 TRP 35 HE1 TRP 35 2.772 -3.197 -20.969 283 HE3 TRP 35 HE3 TRP 35 5.519 -7.335 -18.991 284 HZ2 TRP 35 HZ2 TRP 35 4.675 -4.211 -22.782 285 HZ3 TRP 35 HZ3 TRP 35 6.795 -7.515 -21.084 286 HH2 TRP 35 HH2 TRP 35 6.380 -5.982 -22.947 287 H ARG 36 H ARG 36 5.346 -4.544 -14.141 288 HA ARG 36 HA ARG 36 4.212 -6.523 -12.291 289 HB2 ARG 36 2HB ARG 36 6.167 -4.241 -11.735 290 HB3 ARG 36 1HB ARG 36 5.744 -5.552 -10.631 291 HG2 ARG 36 2HG ARG 36 6.722 -7.160 -12.309 292 HG3 ARG 36 1HG ARG 36 7.288 -5.776 -13.231 293 HD2 ARG 36 2HD ARG 36 8.655 -5.061 -11.297 294 HD3 ARG 36 1HD ARG 36 8.070 -6.445 -10.374 295 HE ARG 36 HE ARG 36 9.254 -7.910 -11.843 296 HH11 ARG 36 1HH1 ARG 36 10.024 -4.533 -12.383 297 HH12 ARG 36 2HH1 ARG 36 11.545 -4.871 -13.130 298 HH21 ARG 36 1HH2 ARG 36 11.264 -8.351 -12.787 299 HH22 ARG 36 2HH2 ARG 36 12.262 -7.039 -13.330 300 H VAL 37 H VAL 37 2.955 -5.873 -10.484 301 HA VAL 37 HA VAL 37 1.678 -3.212 -10.633 302 HB VAL 37 HB VAL 37 0.205 -5.852 -10.229 303 HG11 VAL 37 1HG1 VAL 37 -0.922 -3.027 -10.128 304 HG12 VAL 37 2HG1 VAL 37 -0.776 -4.141 -8.767 305 HG13 VAL 37 3HG1 VAL 37 -1.883 -4.509 -10.090 306 HG21 VAL 37 1HG2 VAL 37 -0.024 -3.828 -12.495 307 HG22 VAL 37 2HG2 VAL 37 -1.005 -5.285 -12.316 308 HG23 VAL 37 3HG2 VAL 37 0.729 -5.422 -12.602 309 H THR 38 H THR 38 1.952 -2.178 -8.828 310 HA THR 38 HA THR 38 2.572 -3.451 -6.288 311 HB THR 38 HB THR 38 2.237 -0.492 -6.983 312 HG1 THR 38 HG1 THR 38 4.213 -2.248 -7.564 313 HG21 THR 38 1HG2 THR 38 2.104 -0.910 -4.538 314 HG22 THR 38 2HG2 THR 38 3.587 -0.057 -4.960 315 HG23 THR 38 3HG2 THR 38 3.647 -1.781 -4.606 316 H TRP 39 H TRP 39 0.767 -4.323 -5.313 317 HA TRP 39 HA TRP 39 -1.670 -2.686 -5.077 318 HB2 TRP 39 2HB TRP 39 -2.812 -4.758 -4.311 319 HB3 TRP 39 1HB TRP 39 -2.161 -4.910 -5.933 320 HD1 TRP 39 HD1 TRP 39 -0.121 -6.662 -6.279 321 HE1 TRP 39 HE1 TRP 39 0.673 -8.660 -4.869 322 HE3 TRP 39 HE3 TRP 39 -2.553 -5.599 -1.886 323 HZ2 TRP 39 HZ2 TRP 39 0.318 -9.664 -2.253 324 HZ3 TRP 39 HZ3 TRP 39 -2.273 -7.134 0.021 325 HH2 TRP 39 HH2 TRP 39 -0.864 -9.128 -0.159 326 H ASP 40 H ASP 40 -2.320 -1.904 -3.128 327 HA ASP 40 HA ASP 40 -0.706 -2.499 -0.695 328 HB2 ASP 40 2HB ASP 40 -1.943 0.148 -1.612 329 HB3 ASP 40 1HB ASP 40 -1.259 -0.106 -0.007 Start of MODEL 7 1 HA THR 1 HA THR 1 2.861 -8.646 -0.552 2 HB THR 1 HB THR 1 2.063 -9.952 -2.626 3 HG1 THR 1 HG1 THR 1 0.521 -11.698 -1.888 4 HG21 THR 1 1HG2 THR 1 2.740 -12.156 -1.729 5 HG22 THR 1 2HG2 THR 1 2.562 -11.549 -0.080 6 HG23 THR 1 3HG2 THR 1 3.807 -10.883 -1.144 7 H GLN 2 H GLN 2 2.403 -6.485 -0.542 8 HA GLN 2 HA GLN 2 0.006 -5.388 -1.780 9 HB2 GLN 2 2HB GLN 2 2.408 -3.999 -0.511 10 HB3 GLN 2 1HB GLN 2 1.006 -3.163 -1.156 11 HG2 GLN 2 2HG GLN 2 0.726 -3.203 1.193 12 HG3 GLN 2 1HG GLN 2 -0.402 -4.388 0.539 13 HE21 GLN 2 1HE2 GLN 2 2.584 -3.937 2.302 14 HE22 GLN 2 2HE2 GLN 2 2.662 -5.522 2.981 15 H THR 3 H THR 3 2.491 -6.782 -3.175 16 HA THR 3 HA THR 3 2.184 -5.367 -5.637 17 HB THR 3 HB THR 3 3.900 -3.909 -4.682 18 HG1 THR 3 HG1 THR 3 4.577 -3.930 -6.651 19 HG21 THR 3 1HG2 THR 3 6.150 -4.707 -4.042 20 HG22 THR 3 2HG2 THR 3 5.640 -6.380 -4.290 21 HG23 THR 3 3HG2 THR 3 4.912 -5.413 -3.006 22 H GLN 4 H GLN 4 2.321 -6.832 -7.260 23 HA GLN 4 HA GLN 4 3.947 -9.255 -6.998 24 HB2 GLN 4 2HB GLN 4 1.790 -9.974 -6.093 25 HB3 GLN 4 1HB GLN 4 0.936 -9.306 -7.477 26 HG2 GLN 4 2HG GLN 4 1.101 -11.771 -7.576 27 HG3 GLN 4 1HG GLN 4 1.881 -10.990 -8.949 28 HE21 GLN 4 1HE2 GLN 4 3.230 -12.698 -9.437 29 HE22 GLN 4 2HE2 GLN 4 4.530 -13.214 -8.419 30 H GLU 5 H GLU 5 4.758 -9.981 -8.924 31 HA GLU 5 HA GLU 5 4.455 -8.265 -11.254 32 HB2 GLU 5 2HB GLU 5 6.339 -9.531 -12.195 33 HB3 GLU 5 1HB GLU 5 6.714 -8.983 -10.564 34 HG2 GLU 5 2HG GLU 5 6.107 -11.310 -9.743 35 HG3 GLU 5 1HG GLU 5 5.975 -11.804 -11.428 36 H PHE 6 H PHE 6 3.806 -8.937 -13.253 37 HA PHE 6 HA PHE 6 2.577 -11.542 -13.758 38 HB2 PHE 6 2HB PHE 6 1.102 -8.858 -14.057 39 HB3 PHE 6 1HB PHE 6 0.520 -10.372 -14.735 40 HD1 PHE 6 HD1 PHE 6 0.659 -8.281 -11.755 41 HD2 PHE 6 HD2 PHE 6 -0.171 -12.231 -13.173 42 HE1 PHE 6 HE1 PHE 6 -0.561 -8.776 -9.676 43 HE2 PHE 6 HE2 PHE 6 -1.386 -12.720 -11.094 44 HZ PHE 6 HZ PHE 6 -1.586 -10.997 -9.343 45 H ASP 7 H ASP 7 1.728 -11.304 -16.195 46 HA ASP 7 HA ASP 7 3.741 -9.863 -17.837 47 HB2 ASP 7 2HB ASP 7 3.665 -11.675 -19.439 48 HB3 ASP 7 1HB ASP 7 3.947 -12.390 -17.859 49 H ASN 8 H ASN 8 2.398 -10.293 -20.334 50 HA ASN 8 HA ASN 8 0.224 -8.312 -20.018 51 HB2 ASN 8 2HB ASN 8 2.326 -7.812 -21.384 52 HB3 ASN 8 1HB ASN 8 1.801 -9.019 -22.541 53 HD21 ASN 8 1HD2 ASN 8 0.055 -8.513 -23.936 54 HD22 ASN 8 2HD2 ASN 8 -0.566 -6.907 -24.085 55 H GLU 9 H GLU 9 -0.192 -11.234 -19.613 56 HA GLU 9 HA GLU 9 -1.995 -11.974 -21.821 57 HB2 GLU 9 2HB GLU 9 -0.484 -13.650 -20.638 58 HB3 GLU 9 1HB GLU 9 -1.496 -13.481 -19.215 59 HG2 GLU 9 2HG GLU 9 -2.096 -15.505 -20.378 60 HG3 GLU 9 1HG GLU 9 -3.425 -14.362 -20.510 61 H GLU 10 H GLU 10 -2.246 -9.881 -19.333 62 HA GLU 10 HA GLU 10 -3.932 -8.683 -18.448 63 HB2 GLU 10 2HB GLU 10 -5.004 -8.967 -20.678 64 HB3 GLU 10 1HB GLU 10 -5.780 -10.434 -20.109 65 HG2 GLU 10 2HG GLU 10 -7.100 -9.129 -18.504 66 HG3 GLU 10 1HG GLU 10 -6.287 -7.653 -19.031 67 H GLU 11 H GLU 11 -2.914 -11.339 -17.404 68 HA GLU 11 HA GLU 11 -4.921 -12.560 -15.779 69 HB2 GLU 11 2HB GLU 11 -1.897 -12.629 -15.400 70 HB3 GLU 11 1HB GLU 11 -3.061 -13.756 -14.703 71 HG2 GLU 11 2HG GLU 11 -2.398 -13.437 -17.650 72 HG3 GLU 11 1HG GLU 11 -1.880 -14.755 -16.603 73 H ALA 12 H ALA 12 -2.827 -9.819 -15.389 74 HA ALA 12 HA ALA 12 -2.916 -9.410 -12.586 75 HB1 ALA 12 1HB ALA 12 -1.339 -8.230 -14.055 76 HB2 ALA 12 2HB ALA 12 -2.293 -7.085 -13.114 77 HB3 ALA 12 3HB ALA 12 -2.673 -7.361 -14.817 78 H ARG 13 H ARG 13 -5.180 -8.740 -15.158 79 HA ARG 13 HA ARG 13 -6.822 -6.854 -13.730 80 HB2 ARG 13 2HB ARG 13 -7.355 -8.366 -16.312 81 HB3 ARG 13 1HB ARG 13 -8.276 -6.981 -15.718 82 HG2 ARG 13 2HG ARG 13 -5.338 -6.949 -16.504 83 HG3 ARG 13 1HG ARG 13 -6.673 -6.349 -17.493 84 HD2 ARG 13 2HD ARG 13 -7.158 -4.610 -15.829 85 HD3 ARG 13 1HD ARG 13 -5.908 -5.254 -14.765 86 HE ARG 13 HE ARG 13 -4.324 -4.170 -15.978 87 HH11 ARG 13 1HH1 ARG 13 -7.228 -4.218 -17.985 88 HH12 ARG 13 2HH1 ARG 13 -6.586 -3.091 -19.136 89 HH21 ARG 13 1HH2 ARG 13 -3.522 -2.677 -17.494 90 HH22 ARG 13 2HH2 ARG 13 -4.492 -2.230 -18.861 91 H LYS 14 H LYS 14 -6.745 -10.323 -14.091 92 HA LYS 14 HA LYS 14 -9.301 -10.997 -13.073 93 HB2 LYS 14 2HB LYS 14 -7.850 -12.693 -14.090 94 HB3 LYS 14 1HB LYS 14 -6.626 -12.450 -12.848 95 HG2 LYS 14 2HG LYS 14 -8.293 -13.303 -11.150 96 HG3 LYS 14 1HG LYS 14 -9.379 -13.683 -12.491 97 HD2 LYS 14 2HD LYS 14 -7.718 -15.252 -13.409 98 HD3 LYS 14 1HD LYS 14 -6.582 -14.831 -12.122 99 HE2 LYS 14 2HE LYS 14 -7.694 -16.973 -11.646 100 HE3 LYS 14 1HE LYS 14 -8.144 -15.762 -10.445 101 HZ1 LYS 14 1HZ LYS 14 -9.792 -16.552 -12.787 102 HZ2 LYS 14 2HZ LYS 14 -10.237 -15.443 -11.591 103 HZ3 LYS 14 3HZ LYS 14 -10.034 -17.074 -11.198 104 H ALA 15 H ALA 15 -6.154 -10.538 -11.475 105 HA ALA 15 HA ALA 15 -6.982 -10.725 -8.776 106 HB1 ALA 15 1HB ALA 15 -4.622 -9.222 -9.962 107 HB2 ALA 15 2HB ALA 15 -4.627 -10.917 -9.481 108 HB3 ALA 15 3HB ALA 15 -4.814 -9.662 -8.257 109 H GLU 16 H GLU 16 -6.729 -8.017 -11.015 110 HA GLU 16 HA GLU 16 -7.169 -5.886 -9.211 111 HB2 GLU 16 2HB GLU 16 -6.115 -5.650 -11.450 112 HB3 GLU 16 1HB GLU 16 -7.658 -6.004 -12.215 113 HG2 GLU 16 2HG GLU 16 -8.613 -3.937 -11.217 114 HG3 GLU 16 1HG GLU 16 -7.048 -3.586 -10.480 115 H LYS 17 H LYS 17 -9.376 -8.010 -10.952 116 HA LYS 17 HA LYS 17 -11.750 -6.497 -10.826 117 HB2 LYS 17 2HB LYS 17 -11.537 -8.478 -12.258 118 HB3 LYS 17 1HB LYS 17 -11.383 -9.516 -10.843 119 HG2 LYS 17 2HG LYS 17 -13.697 -8.954 -10.167 120 HG3 LYS 17 1HG LYS 17 -13.853 -7.894 -11.574 121 HD2 LYS 17 2HD LYS 17 -13.645 -9.797 -13.082 122 HD3 LYS 17 1HD LYS 17 -13.307 -10.882 -11.731 123 HE2 LYS 17 2HE LYS 17 -15.590 -10.491 -10.856 124 HE3 LYS 17 1HE LYS 17 -15.926 -9.410 -12.209 125 HZ1 LYS 17 1HZ LYS 17 -16.799 -11.645 -12.537 126 HZ2 LYS 17 2HZ LYS 17 -15.229 -12.278 -12.465 127 HZ3 LYS 17 3HZ LYS 17 -15.664 -11.227 -13.712 128 H GLU 18 H GLU 18 -10.295 -8.741 -8.507 129 HA GLU 18 HA GLU 18 -12.257 -8.696 -6.478 130 HB2 GLU 18 2HB GLU 18 -10.361 -10.280 -6.485 131 HB3 GLU 18 1HB GLU 18 -9.230 -8.950 -6.266 132 HG2 GLU 18 2HG GLU 18 -10.275 -8.492 -4.031 133 HG3 GLU 18 1HG GLU 18 -11.298 -9.912 -4.260 134 H LEU 19 H LEU 19 -9.450 -6.661 -7.128 135 HA LEU 19 HA LEU 19 -9.663 -4.926 -4.883 136 HB2 LEU 19 2HB LEU 19 -8.089 -4.866 -7.465 137 HB3 LEU 19 1HB LEU 19 -8.048 -3.485 -6.385 138 HG LEU 19 HG LEU 19 -6.947 -4.741 -4.645 139 HD11 LEU 19 1HD1 LEU 19 -6.357 -7.121 -4.776 140 HD12 LEU 19 2HD1 LEU 19 -7.261 -7.270 -6.283 141 HD13 LEU 19 3HD1 LEU 19 -8.106 -6.899 -4.781 142 HD21 LEU 19 1HD2 LEU 19 -5.485 -3.906 -6.417 143 HD22 LEU 19 2HD2 LEU 19 -5.666 -5.420 -7.308 144 HD23 LEU 19 3HD2 LEU 19 -4.853 -5.407 -5.741 145 H ARG 20 H ARG 20 -11.275 -4.969 -7.979 146 HA ARG 20 HA ARG 20 -12.161 -2.237 -8.063 147 HB2 ARG 20 2HB ARG 20 -13.521 -4.718 -9.225 148 HB3 ARG 20 1HB ARG 20 -13.926 -3.052 -9.624 149 HG2 ARG 20 2HG ARG 20 -11.347 -4.493 -10.282 150 HG3 ARG 20 1HG ARG 20 -12.644 -4.089 -11.404 151 HD2 ARG 20 2HD ARG 20 -12.177 -1.625 -10.788 152 HD3 ARG 20 1HD ARG 20 -10.695 -2.222 -10.035 153 HE ARG 20 HE ARG 20 -9.781 -2.537 -12.110 154 HH11 ARG 20 1HH1 ARG 20 -13.265 -2.127 -12.545 155 HH12 ARG 20 2HH1 ARG 20 -13.145 -2.026 -14.273 156 HH21 ARG 20 1HH2 ARG 20 -9.679 -2.389 -14.368 157 HH22 ARG 20 2HH2 ARG 20 -11.130 -2.180 -15.299 158 H LYS 21 H LYS 21 -13.540 -5.268 -6.854 159 HA LYS 21 HA LYS 21 -15.986 -4.231 -5.845 160 HB2 LYS 21 2HB LYS 21 -15.556 -6.637 -6.427 161 HB3 LYS 21 1HB LYS 21 -14.482 -6.765 -5.044 162 HG2 LYS 21 2HG LYS 21 -16.654 -7.763 -4.542 163 HG3 LYS 21 1HG LYS 21 -16.378 -6.353 -3.519 164 HD2 LYS 21 2HD LYS 21 -18.701 -6.396 -4.327 165 HD3 LYS 21 1HD LYS 21 -17.847 -4.996 -4.975 166 HE2 LYS 21 2HE LYS 21 -17.522 -6.242 -7.124 167 HE3 LYS 21 1HE LYS 21 -18.471 -7.579 -6.467 168 HZ1 LYS 21 1HZ LYS 21 -20.356 -6.104 -6.280 169 HZ2 LYS 21 2HZ LYS 21 -19.783 -6.113 -7.870 170 HZ3 LYS 21 3HZ LYS 21 -19.445 -4.801 -6.857 171 H GLU 22 H GLU 22 -12.863 -4.923 -4.386 172 HA GLU 22 HA GLU 22 -13.319 -4.088 -1.730 173 HB2 GLU 22 2HB GLU 22 -10.826 -4.330 -3.448 174 HB3 GLU 22 1HB GLU 22 -10.749 -3.834 -1.763 175 HG2 GLU 22 2HG GLU 22 -11.916 -6.480 -2.690 176 HG3 GLU 22 1HG GLU 22 -10.233 -6.265 -2.209 177 H ASN 23 H ASN 23 -12.623 -2.385 -4.692 178 HA ASN 23 HA ASN 23 -12.186 -0.298 -5.353 179 HB2 ASN 23 2HB ASN 23 -14.344 0.241 -4.253 180 HB3 ASN 23 1HB ASN 23 -13.502 0.526 -2.736 181 HD21 ASN 23 1HD2 ASN 23 -14.079 1.763 -5.971 182 HD22 ASN 23 2HD2 ASN 23 -13.550 3.374 -5.646 183 H ARG 24 H ARG 24 -9.956 -0.852 -5.210 184 HA ARG 24 HA ARG 24 -8.394 0.506 -3.079 185 HB2 ARG 24 2HB ARG 24 -7.771 -2.167 -4.445 186 HB3 ARG 24 1HB ARG 24 -6.669 -1.316 -3.356 187 HG2 ARG 24 2HG ARG 24 -8.300 -1.539 -1.517 188 HG3 ARG 24 1HG ARG 24 -9.411 -2.392 -2.595 189 HD2 ARG 24 2HD ARG 24 -7.783 -4.214 -2.846 190 HD3 ARG 24 1HD ARG 24 -6.624 -3.341 -1.836 191 HE ARG 24 HE ARG 24 -9.166 -4.553 -0.924 192 HH11 ARG 24 1HH1 ARG 24 -6.007 -3.231 -0.079 193 HH12 ARG 24 2HH1 ARG 24 -6.114 -3.782 1.564 194 HH21 ARG 24 1HH2 ARG 24 -9.284 -5.200 1.216 195 HH22 ARG 24 2HH2 ARG 24 -7.968 -4.870 2.296 196 H ARG 25 H ARG 25 -6.297 1.226 -3.748 197 HA ARG 25 HA ARG 25 -6.248 2.373 -6.405 198 HB2 ARG 25 2HB ARG 25 -4.207 3.574 -5.551 199 HB3 ARG 25 1HB ARG 25 -5.636 3.807 -4.555 200 HG2 ARG 25 2HG ARG 25 -4.581 1.783 -3.164 201 HG3 ARG 25 1HG ARG 25 -3.089 2.341 -3.922 202 HD2 ARG 25 2HD ARG 25 -4.949 4.022 -2.201 203 HD3 ARG 25 1HD ARG 25 -3.420 3.314 -1.678 204 HE ARG 25 HE ARG 25 -3.007 4.975 -3.940 205 HH11 ARG 25 1HH1 ARG 25 -3.652 5.198 -0.504 206 HH12 ARG 25 2HH1 ARG 25 -2.957 6.779 -0.359 207 HH21 ARG 25 1HH2 ARG 25 -2.119 7.052 -3.737 208 HH22 ARG 25 2HH2 ARG 25 -2.093 7.834 -2.185 209 H VAL 26 H VAL 26 -5.677 1.035 -8.013 210 HA VAL 26 HA VAL 26 -3.447 -0.867 -7.731 211 HB VAL 26 HB VAL 26 -4.178 -1.776 -9.927 212 HG11 VAL 26 1HG1 VAL 26 -6.341 -2.731 -9.184 213 HG12 VAL 26 2HG1 VAL 26 -6.452 -1.504 -7.921 214 HG13 VAL 26 3HG1 VAL 26 -5.160 -2.707 -7.872 215 HG21 VAL 26 1HG2 VAL 26 -6.289 -1.005 -11.006 216 HG22 VAL 26 2HG2 VAL 26 -5.069 0.270 -10.995 217 HG23 VAL 26 3HG2 VAL 26 -6.398 0.315 -9.837 218 H THR 27 H THR 27 -1.455 -0.398 -8.460 219 HA THR 27 HA THR 27 -1.023 1.670 -10.529 220 HB THR 27 HB THR 27 0.586 1.479 -7.945 221 HG1 THR 27 HG1 THR 27 -0.996 2.603 -7.143 222 HG21 THR 27 1HG2 THR 27 0.655 3.574 -10.156 223 HG22 THR 27 2HG2 THR 27 1.916 2.379 -9.829 224 HG23 THR 27 3HG2 THR 27 1.564 3.647 -8.650 225 H VAL 28 H VAL 28 0.030 0.637 -12.181 226 HA VAL 28 HA VAL 28 1.595 -1.743 -11.707 227 HB VAL 28 HB VAL 28 0.305 -1.655 -13.756 228 HG11 VAL 28 1HG1 VAL 28 0.794 -0.132 -15.648 229 HG12 VAL 28 2HG1 VAL 28 1.964 0.732 -14.649 230 HG13 VAL 28 3HG1 VAL 28 0.254 0.759 -14.220 231 HG21 VAL 28 1HG2 VAL 28 3.290 -1.605 -14.343 232 HG22 VAL 28 2HG2 VAL 28 2.063 -2.315 -15.393 233 HG23 VAL 28 3HG2 VAL 28 2.356 -2.997 -13.791 234 H THR 29 H THR 29 3.537 -1.551 -10.808 235 HA THR 29 HA THR 29 5.541 0.390 -11.613 236 HB THR 29 HB THR 29 5.808 -2.167 -9.952 237 HG1 THR 29 HG1 THR 29 4.926 0.391 -9.364 238 HG21 THR 29 1HG2 THR 29 7.722 0.188 -10.188 239 HG22 THR 29 2HG2 THR 29 7.999 -1.420 -10.863 240 HG23 THR 29 3HG2 THR 29 7.918 -1.196 -9.113 241 H GLN 30 H GLN 30 7.013 0.037 -13.248 242 HA GLN 30 HA GLN 30 8.041 -0.773 -15.070 243 HB2 GLN 30 2HB GLN 30 7.602 -3.493 -13.777 244 HB3 GLN 30 1HB GLN 30 8.668 -3.199 -15.146 245 HG2 GLN 30 2HG GLN 30 8.999 -2.020 -12.364 246 HG3 GLN 30 1HG GLN 30 9.901 -3.388 -13.024 247 HE21 GLN 30 1HE2 GLN 30 9.477 0.082 -13.078 248 HE22 GLN 30 2HE2 GLN 30 10.884 0.440 -14.021 249 H GLU 31 H GLU 31 6.460 -0.023 -16.431 250 HA GLU 31 HA GLU 31 4.147 -1.640 -17.172 251 HB2 GLU 31 2HB GLU 31 3.456 0.379 -18.450 252 HB3 GLU 31 1HB GLU 31 3.808 0.742 -16.761 253 HG2 GLU 31 2HG GLU 31 6.052 1.595 -17.423 254 HG3 GLU 31 1HG GLU 31 5.658 1.288 -19.117 255 H ASN 32 H ASN 32 7.326 -0.957 -18.378 256 HA ASN 32 HA ASN 32 6.796 -1.531 -21.185 257 HB2 ASN 32 2HB ASN 32 9.186 -1.144 -21.503 258 HB3 ASN 32 1HB ASN 32 8.542 0.106 -20.448 259 HD21 ASN 32 1HD2 ASN 32 10.686 -2.620 -20.676 260 HD22 ASN 32 2HD2 ASN 32 11.450 -2.409 -19.140 261 H GLY 33 H GLY 33 6.873 -3.464 -18.578 262 HA2 GLY 33 2HA GLY 33 6.902 -5.981 -19.276 263 HA3 GLY 33 1HA GLY 33 8.620 -5.626 -19.530 264 H ARG 34 H ARG 34 7.746 -7.480 -17.575 265 HA ARG 34 HA ARG 34 7.780 -8.085 -15.391 266 HB2 ARG 34 2HB ARG 34 9.222 -5.447 -14.835 267 HB3 ARG 34 1HB ARG 34 9.215 -6.862 -13.785 268 HG2 ARG 34 2HG ARG 34 10.627 -8.090 -15.299 269 HG3 ARG 34 1HG ARG 34 10.428 -6.884 -16.576 270 HD2 ARG 34 2HD ARG 34 11.596 -5.221 -15.124 271 HD3 ARG 34 1HD ARG 34 11.874 -6.498 -13.933 272 HE ARG 34 HE ARG 34 12.905 -7.520 -16.242 273 HH11 ARG 34 1HH1 ARG 34 13.546 -4.555 -14.488 274 HH12 ARG 34 2HH1 ARG 34 15.198 -4.480 -15.003 275 HH21 ARG 34 1HH2 ARG 34 15.051 -7.384 -16.932 276 HH22 ARG 34 2HH2 ARG 34 16.048 -6.074 -16.381 277 H TRP 35 H TRP 35 5.461 -7.098 -16.294 278 HA TRP 35 HA TRP 35 4.288 -4.786 -15.302 279 HB2 TRP 35 2HB TRP 35 3.440 -6.187 -17.189 280 HB3 TRP 35 1HB TRP 35 2.960 -7.441 -16.052 281 HD1 TRP 35 HD1 TRP 35 0.700 -6.976 -14.601 282 HE1 TRP 35 HE1 TRP 35 -1.267 -5.366 -14.965 283 HE3 TRP 35 HE3 TRP 35 2.823 -3.839 -18.055 284 HZ2 TRP 35 HZ2 TRP 35 -1.867 -3.093 -16.498 285 HZ3 TRP 35 HZ3 TRP 35 1.478 -1.962 -18.916 286 HH2 TRP 35 HH2 TRP 35 -0.824 -1.593 -18.154 287 H ARG 36 H ARG 36 4.795 -4.548 -13.096 288 HA ARG 36 HA ARG 36 3.925 -6.599 -11.164 289 HB2 ARG 36 2HB ARG 36 6.341 -5.924 -11.216 290 HB3 ARG 36 1HB ARG 36 5.876 -4.292 -10.747 291 HG2 ARG 36 2HG ARG 36 5.013 -5.154 -8.604 292 HG3 ARG 36 1HG ARG 36 5.409 -6.803 -9.097 293 HD2 ARG 36 2HD ARG 36 7.805 -6.186 -9.192 294 HD3 ARG 36 1HD ARG 36 7.400 -4.550 -8.655 295 HE ARG 36 HE ARG 36 6.320 -6.123 -6.725 296 HH11 ARG 36 1HH1 ARG 36 9.565 -5.966 -8.049 297 HH12 ARG 36 2HH1 ARG 36 10.316 -6.478 -6.572 298 HH21 ARG 36 1HH2 ARG 36 7.320 -6.780 -4.802 299 HH22 ARG 36 2HH2 ARG 36 9.046 -6.928 -4.738 300 H VAL 37 H VAL 37 1.823 -6.157 -10.736 301 HA VAL 37 HA VAL 37 0.752 -3.510 -10.439 302 HB VAL 37 HB VAL 37 -0.504 -6.195 -9.730 303 HG11 VAL 37 1HG1 VAL 37 -1.651 -4.369 -8.521 304 HG12 VAL 37 2HG1 VAL 37 -2.690 -4.994 -9.805 305 HG13 VAL 37 3HG1 VAL 37 -1.836 -3.467 -10.028 306 HG21 VAL 37 1HG2 VAL 37 -1.674 -5.978 -11.904 307 HG22 VAL 37 2HG2 VAL 37 0.079 -6.044 -12.115 308 HG23 VAL 37 3HG2 VAL 37 -0.770 -4.499 -12.239 309 H THR 38 H THR 38 1.577 -2.386 -8.817 310 HA THR 38 HA THR 38 1.781 -3.389 -6.079 311 HB THR 38 HB THR 38 2.469 -0.653 -7.254 312 HG1 THR 38 HG1 THR 38 4.221 -1.621 -7.912 313 HG21 THR 38 1HG2 THR 38 3.793 -0.309 -5.178 314 HG22 THR 38 2HG2 THR 38 3.202 -1.845 -4.540 315 HG23 THR 38 3HG2 THR 38 2.078 -0.512 -4.809 316 H TRP 39 H TRP 39 0.061 -3.229 -4.781 317 HA TRP 39 HA TRP 39 -1.981 -1.127 -5.151 318 HB2 TRP 39 2HB TRP 39 -3.731 -2.811 -4.696 319 HB3 TRP 39 1HB TRP 39 -2.814 -3.226 -6.135 320 HD1 TRP 39 HD1 TRP 39 -0.848 -5.250 -5.717 321 HE1 TRP 39 HE1 TRP 39 -1.058 -7.368 -4.272 322 HE3 TRP 39 HE3 TRP 39 -4.742 -3.826 -2.708 323 HZ2 TRP 39 HZ2 TRP 39 -2.668 -8.330 -2.183 324 HZ3 TRP 39 HZ3 TRP 39 -5.571 -5.416 -1.023 325 HH2 TRP 39 HH2 TRP 39 -4.553 -7.626 -0.764 326 H ASP 40 H ASP 40 -3.506 -1.230 -3.157 327 HA ASP 40 HA ASP 40 -1.908 -1.393 -0.668 328 HB2 ASP 40 2HB ASP 40 -2.020 0.950 -1.328 329 HB3 ASP 40 1HB ASP 40 -3.748 0.839 -1.607 Start of MODEL 8 1 HA THR 1 HA THR 1 4.736 -8.320 -1.125 2 HB THR 1 HB THR 1 4.589 -9.720 -3.836 3 HG1 THR 1 HG1 THR 1 6.710 -9.987 -1.964 4 HG21 THR 1 1HG2 THR 1 6.697 -7.796 -2.761 5 HG22 THR 1 2HG2 THR 1 5.506 -7.411 -4.010 6 HG23 THR 1 3HG2 THR 1 6.751 -8.625 -4.314 7 H GLN 2 H GLN 2 4.347 -6.206 -1.814 8 HA GLN 2 HA GLN 2 1.735 -5.501 -2.687 9 HB2 GLN 2 2HB GLN 2 4.257 -3.827 -2.396 10 HB3 GLN 2 1HB GLN 2 2.672 -3.157 -2.792 11 HG2 GLN 2 2HG GLN 2 1.794 -4.077 -0.641 12 HG3 GLN 2 1HG GLN 2 3.423 -4.625 -0.242 13 HE21 GLN 2 1HE2 GLN 2 1.683 -2.731 1.159 14 HE22 GLN 2 2HE2 GLN 2 2.576 -1.258 1.278 15 H THR 3 H THR 3 4.921 -5.291 -4.294 16 HA THR 3 HA THR 3 3.615 -4.811 -6.861 17 HB THR 3 HB THR 3 5.589 -3.437 -6.216 18 HG1 THR 3 HG1 THR 3 5.121 -3.531 -8.351 19 HG21 THR 3 1HG2 THR 3 7.043 -5.127 -5.138 20 HG22 THR 3 2HG2 THR 3 7.874 -4.286 -6.445 21 HG23 THR 3 3HG2 THR 3 7.275 -5.928 -6.698 22 H GLN 4 H GLN 4 2.705 -6.624 -7.633 23 HA GLN 4 HA GLN 4 4.226 -9.173 -7.651 24 HB2 GLN 4 2HB GLN 4 2.082 -9.264 -6.417 25 HB3 GLN 4 1HB GLN 4 1.218 -8.675 -7.827 26 HG2 GLN 4 2HG GLN 4 0.923 -11.096 -7.484 27 HG3 GLN 4 1HG GLN 4 1.664 -10.728 -9.041 28 HE21 GLN 4 1HE2 GLN 4 3.721 -11.492 -9.472 29 HE22 GLN 4 2HE2 GLN 4 4.607 -12.522 -8.404 30 H GLU 5 H GLU 5 4.890 -9.953 -9.583 31 HA GLU 5 HA GLU 5 4.336 -8.437 -11.994 32 HB2 GLU 5 2HB GLU 5 6.638 -9.175 -11.461 33 HB3 GLU 5 1HB GLU 5 6.129 -10.857 -11.575 34 HG2 GLU 5 2HG GLU 5 5.573 -10.511 -13.970 35 HG3 GLU 5 1HG GLU 5 6.109 -8.837 -13.846 36 H PHE 6 H PHE 6 2.773 -8.911 -13.335 37 HA PHE 6 HA PHE 6 1.580 -11.609 -13.402 38 HB2 PHE 6 2HB PHE 6 0.372 -8.913 -14.152 39 HB3 PHE 6 1HB PHE 6 -0.451 -10.464 -14.283 40 HD1 PHE 6 HD1 PHE 6 0.149 -7.667 -12.151 41 HD2 PHE 6 HD2 PHE 6 -0.680 -11.857 -12.088 42 HE1 PHE 6 HE1 PHE 6 -0.655 -7.479 -9.833 43 HE2 PHE 6 HE2 PHE 6 -1.484 -11.660 -9.772 44 HZ PHE 6 HZ PHE 6 -1.472 -9.471 -8.645 45 H ASP 7 H ASP 7 0.646 -12.199 -15.518 46 HA ASP 7 HA ASP 7 2.700 -11.928 -17.590 47 HB2 ASP 7 2HB ASP 7 2.109 -14.189 -16.711 48 HB3 ASP 7 1HB ASP 7 0.452 -13.960 -17.254 49 H ASN 8 H ASN 8 1.944 -12.043 -19.890 50 HA ASN 8 HA ASN 8 0.146 -10.050 -20.725 51 HB2 ASN 8 2HB ASN 8 2.059 -10.986 -22.045 52 HB3 ASN 8 1HB ASN 8 1.154 -12.475 -22.271 53 HD21 ASN 8 1HD2 ASN 8 0.983 -12.386 -24.497 54 HD22 ASN 8 2HD2 ASN 8 0.134 -11.150 -25.353 55 H GLU 9 H GLU 9 -0.546 -13.140 -19.488 56 HA GLU 9 HA GLU 9 -3.000 -13.752 -20.767 57 HB2 GLU 9 2HB GLU 9 -1.586 -15.340 -19.385 58 HB3 GLU 9 1HB GLU 9 -2.107 -14.490 -17.937 59 HG2 GLU 9 2HG GLU 9 -3.349 -16.589 -18.282 60 HG3 GLU 9 1HG GLU 9 -4.411 -15.179 -18.298 61 H GLU 10 H GLU 10 -2.219 -11.091 -18.911 62 HA GLU 10 HA GLU 10 -3.376 -9.318 -18.158 63 HB2 GLU 10 2HB GLU 10 -4.851 -9.752 -20.164 64 HB3 GLU 10 1HB GLU 10 -5.898 -10.711 -19.129 65 HG2 GLU 10 2HG GLU 10 -6.259 -8.629 -17.728 66 HG3 GLU 10 1HG GLU 10 -5.369 -7.734 -18.954 67 H GLU 11 H GLU 11 -2.733 -11.593 -16.549 68 HA GLU 11 HA GLU 11 -4.611 -12.040 -14.478 69 HB2 GLU 11 2HB GLU 11 -1.566 -12.055 -14.347 70 HB3 GLU 11 1HB GLU 11 -2.643 -12.745 -13.130 71 HG2 GLU 11 2HG GLU 11 -2.304 -13.680 -16.000 72 HG3 GLU 11 1HG GLU 11 -1.709 -14.487 -14.550 73 H ALA 12 H ALA 12 -2.725 -9.314 -15.306 74 HA ALA 12 HA ALA 12 -2.527 -7.856 -12.921 75 HB1 ALA 12 1HB ALA 12 -2.333 -5.900 -14.427 76 HB2 ALA 12 2HB ALA 12 -2.922 -6.878 -15.775 77 HB3 ALA 12 3HB ALA 12 -1.374 -7.259 -15.015 78 H ARG 13 H ARG 13 -5.049 -7.766 -15.452 79 HA ARG 13 HA ARG 13 -6.838 -6.050 -13.951 80 HB2 ARG 13 2HB ARG 13 -7.253 -7.591 -16.548 81 HB3 ARG 13 1HB ARG 13 -8.367 -6.385 -15.904 82 HG2 ARG 13 2HG ARG 13 -5.472 -5.752 -16.594 83 HG3 ARG 13 1HG ARG 13 -6.784 -5.623 -17.769 84 HD2 ARG 13 2HD ARG 13 -6.822 -4.139 -15.117 85 HD3 ARG 13 1HD ARG 13 -6.098 -3.470 -16.585 86 HE ARG 13 HE ARG 13 -8.638 -4.272 -17.309 87 HH11 ARG 13 1HH1 ARG 13 -7.389 -2.050 -14.906 88 HH12 ARG 13 2HH1 ARG 13 -8.694 -0.932 -15.102 89 HH21 ARG 13 1HH2 ARG 13 -10.345 -2.799 -17.531 90 HH22 ARG 13 2HH2 ARG 13 -10.351 -1.347 -16.584 91 H LYS 14 H LYS 14 -6.465 -9.479 -14.533 92 HA LYS 14 HA LYS 14 -8.996 -10.360 -13.555 93 HB2 LYS 14 2HB LYS 14 -7.744 -11.770 -15.056 94 HB3 LYS 14 1HB LYS 14 -6.351 -11.773 -13.983 95 HG2 LYS 14 2HG LYS 14 -7.537 -13.122 -12.348 96 HG3 LYS 14 1HG LYS 14 -9.023 -13.034 -13.297 97 HD2 LYS 14 2HD LYS 14 -8.163 -14.464 -14.991 98 HD3 LYS 14 1HD LYS 14 -6.495 -14.226 -14.466 99 HE2 LYS 14 2HE LYS 14 -8.600 -15.711 -12.859 100 HE3 LYS 14 1HE LYS 14 -7.392 -16.480 -13.893 101 HZ1 LYS 14 1HZ LYS 14 -6.629 -16.490 -11.640 102 HZ2 LYS 14 2HZ LYS 14 -6.857 -14.822 -11.482 103 HZ3 LYS 14 3HZ LYS 14 -5.660 -15.421 -12.528 104 H ALA 15 H ALA 15 -5.847 -9.814 -12.004 105 HA ALA 15 HA ALA 15 -6.682 -10.714 -9.383 106 HB1 ALA 15 1HB ALA 15 -4.328 -8.951 -10.157 107 HB2 ALA 15 2HB ALA 15 -4.301 -10.709 -10.021 108 HB3 ALA 15 3HB ALA 15 -4.580 -9.722 -8.586 109 H GLU 16 H GLU 16 -6.541 -7.675 -11.153 110 HA GLU 16 HA GLU 16 -7.142 -5.828 -9.151 111 HB2 GLU 16 2HB GLU 16 -6.424 -5.188 -11.426 112 HB3 GLU 16 1HB GLU 16 -7.948 -5.763 -12.086 113 HG2 GLU 16 2HG GLU 16 -9.117 -4.015 -10.702 114 HG3 GLU 16 1HG GLU 16 -7.542 -3.387 -10.240 115 H LYS 17 H LYS 17 -9.245 -8.089 -10.834 116 HA LYS 17 HA LYS 17 -11.793 -7.077 -10.475 117 HB2 LYS 17 2HB LYS 17 -10.901 -9.978 -10.190 118 HB3 LYS 17 1HB LYS 17 -12.580 -9.464 -10.382 119 HG2 LYS 17 2HG LYS 17 -12.006 -8.520 -12.615 120 HG3 LYS 17 1HG LYS 17 -10.346 -9.092 -12.404 121 HD2 LYS 17 2HD LYS 17 -11.574 -10.680 -13.796 122 HD3 LYS 17 1HD LYS 17 -11.178 -11.436 -12.249 123 HE2 LYS 17 2HE LYS 17 -13.465 -11.990 -12.885 124 HE3 LYS 17 1HE LYS 17 -13.493 -10.961 -11.454 125 HZ1 LYS 17 1HZ LYS 17 -15.154 -10.219 -12.961 126 HZ2 LYS 17 2HZ LYS 17 -14.070 -10.163 -14.254 127 HZ3 LYS 17 3HZ LYS 17 -13.920 -9.062 -12.978 128 H GLU 18 H GLU 18 -9.750 -8.684 -8.106 129 HA GLU 18 HA GLU 18 -11.650 -8.972 -6.011 130 HB2 GLU 18 2HB GLU 18 -9.114 -9.959 -6.451 131 HB3 GLU 18 1HB GLU 18 -8.738 -8.684 -5.300 132 HG2 GLU 18 2HG GLU 18 -10.489 -11.125 -4.906 133 HG3 GLU 18 1HG GLU 18 -8.983 -10.728 -4.085 134 H LEU 19 H LEU 19 -9.236 -6.518 -6.838 135 HA LEU 19 HA LEU 19 -9.524 -4.982 -4.438 136 HB2 LEU 19 2HB LEU 19 -8.111 -4.431 -7.074 137 HB3 LEU 19 1HB LEU 19 -8.136 -3.267 -5.764 138 HG LEU 19 HG LEU 19 -6.028 -4.389 -5.679 139 HD11 LEU 19 1HD1 LEU 19 -7.005 -3.913 -3.510 140 HD12 LEU 19 2HD1 LEU 19 -5.998 -5.356 -3.449 141 HD13 LEU 19 3HD1 LEU 19 -7.758 -5.510 -3.465 142 HD21 LEU 19 1HD2 LEU 19 -6.546 -6.377 -6.984 143 HD22 LEU 19 2HD2 LEU 19 -7.480 -7.048 -5.646 144 HD23 LEU 19 3HD2 LEU 19 -5.736 -6.815 -5.480 145 H ARG 20 H ARG 20 -10.663 -4.463 -7.806 146 HA ARG 20 HA ARG 20 -11.951 -1.994 -7.279 147 HB2 ARG 20 2HB ARG 20 -12.937 -2.222 -9.524 148 HB3 ARG 20 1HB ARG 20 -11.206 -2.554 -9.528 149 HG2 ARG 20 2HG ARG 20 -11.715 -5.004 -9.551 150 HG3 ARG 20 1HG ARG 20 -13.437 -4.619 -9.664 151 HD2 ARG 20 2HD ARG 20 -11.314 -3.791 -11.690 152 HD3 ARG 20 1HD ARG 20 -12.420 -5.157 -11.869 153 HE ARG 20 HE ARG 20 -14.249 -3.403 -11.660 154 HH11 ARG 20 1HH1 ARG 20 -11.123 -2.580 -13.061 155 HH12 ARG 20 2HH1 ARG 20 -11.807 -1.411 -14.145 156 HH21 ARG 20 1HH2 ARG 20 -15.095 -1.858 -13.053 157 HH22 ARG 20 2HH2 ARG 20 -14.045 -1.017 -14.148 158 H LYS 21 H LYS 21 -12.858 -5.195 -6.574 159 HA LYS 21 HA LYS 21 -15.696 -4.821 -6.431 160 HB2 LYS 21 2HB LYS 21 -14.569 -7.037 -6.640 161 HB3 LYS 21 1HB LYS 21 -13.911 -6.860 -5.024 162 HG2 LYS 21 2HG LYS 21 -16.903 -6.719 -5.300 163 HG3 LYS 21 1HG LYS 21 -16.152 -8.285 -5.594 164 HD2 LYS 21 2HD LYS 21 -15.845 -6.642 -3.044 165 HD3 LYS 21 1HD LYS 21 -16.925 -8.025 -3.245 166 HE2 LYS 21 2HE LYS 21 -14.923 -9.459 -3.718 167 HE3 LYS 21 1HE LYS 21 -13.886 -8.065 -3.400 168 HZ1 LYS 21 1HZ LYS 21 -15.736 -9.333 -1.450 169 HZ2 LYS 21 2HZ LYS 21 -14.748 -7.993 -1.145 170 HZ3 LYS 21 3HZ LYS 21 -14.051 -9.495 -1.478 171 H GLU 22 H GLU 22 -12.968 -4.190 -4.272 172 HA GLU 22 HA GLU 22 -14.786 -2.787 -2.391 173 HB2 GLU 22 2HB GLU 22 -12.389 -4.509 -1.618 174 HB3 GLU 22 1HB GLU 22 -13.205 -3.400 -0.516 175 HG2 GLU 22 2HG GLU 22 -15.292 -4.677 -0.770 176 HG3 GLU 22 1HG GLU 22 -14.479 -5.797 -1.869 177 H ASN 23 H ASN 23 -11.196 -3.061 -2.410 178 HA ASN 23 HA ASN 23 -11.030 -0.096 -2.418 179 HB2 ASN 23 2HB ASN 23 -9.248 -2.195 -1.123 180 HB3 ASN 23 1HB ASN 23 -8.806 -0.493 -1.206 181 HD21 ASN 23 1HD2 ASN 23 -9.241 -2.169 1.124 182 HD22 ASN 23 2HD2 ASN 23 -10.469 -1.385 2.054 183 H ARG 24 H ARG 24 -10.832 0.247 -4.615 184 HA ARG 24 HA ARG 24 -8.876 -1.200 -6.198 185 HB2 ARG 24 2HB ARG 24 -9.557 0.399 -8.074 186 HB3 ARG 24 1HB ARG 24 -10.773 -0.721 -7.507 187 HG2 ARG 24 2HG ARG 24 -10.719 2.138 -6.507 188 HG3 ARG 24 1HG ARG 24 -11.453 1.730 -8.060 189 HD2 ARG 24 2HD ARG 24 -12.991 0.160 -6.909 190 HD3 ARG 24 1HD ARG 24 -12.270 0.599 -5.355 191 HE ARG 24 HE ARG 24 -13.299 2.848 -6.850 192 HH11 ARG 24 1HH1 ARG 24 -14.186 0.361 -4.502 193 HH12 ARG 24 2HH1 ARG 24 -15.580 1.229 -3.952 194 HH21 ARG 24 1HH2 ARG 24 -15.120 3.954 -6.099 195 HH22 ARG 24 2HH2 ARG 24 -16.105 3.262 -4.850 196 H ARG 25 H ARG 25 -6.974 -0.715 -5.177 197 HA ARG 25 HA ARG 25 -5.713 1.799 -6.061 198 HB2 ARG 25 2HB ARG 25 -6.133 2.164 -3.685 199 HB3 ARG 25 1HB ARG 25 -5.524 0.570 -3.277 200 HG2 ARG 25 2HG ARG 25 -3.943 2.358 -2.668 201 HG3 ARG 25 1HG ARG 25 -3.253 1.220 -3.820 202 HD2 ARG 25 2HD ARG 25 -3.712 2.848 -5.654 203 HD3 ARG 25 1HD ARG 25 -4.309 3.997 -4.452 204 HE ARG 25 HE ARG 25 -1.835 3.426 -3.520 205 HH11 ARG 25 1HH1 ARG 25 -2.921 4.464 -6.711 206 HH12 ARG 25 2HH1 ARG 25 -1.423 5.254 -7.072 207 HH21 ARG 25 1HH2 ARG 25 0.096 4.498 -4.021 208 HH22 ARG 25 2HH2 ARG 25 0.270 5.286 -5.556 209 H VAL 26 H VAL 26 -5.145 0.419 -7.780 210 HA VAL 26 HA VAL 26 -2.762 -1.252 -7.274 211 HB VAL 26 HB VAL 26 -3.613 -2.665 -9.329 212 HG11 VAL 26 1HG1 VAL 26 -4.762 -4.270 -7.840 213 HG12 VAL 26 2HG1 VAL 26 -4.890 -3.026 -6.594 214 HG13 VAL 26 3HG1 VAL 26 -3.303 -3.615 -7.093 215 HG21 VAL 26 1HG2 VAL 26 -5.562 -1.275 -9.923 216 HG22 VAL 26 2HG2 VAL 26 -6.290 -1.600 -8.348 217 HG23 VAL 26 3HG2 VAL 26 -6.064 -2.914 -9.503 218 H THR 27 H THR 27 -1.266 0.163 -7.963 219 HA THR 27 HA THR 27 -1.454 1.406 -10.627 220 HB THR 27 HB THR 27 0.496 1.947 -8.342 221 HG1 THR 27 HG1 THR 27 -2.029 2.744 -8.734 222 HG21 THR 27 1HG2 THR 27 0.086 3.474 -10.949 223 HG22 THR 27 2HG2 THR 27 1.496 2.483 -10.551 224 HG23 THR 27 3HG2 THR 27 1.153 3.947 -9.625 225 H VAL 28 H VAL 28 -0.587 0.220 -12.216 226 HA VAL 28 HA VAL 28 1.386 -1.833 -11.816 227 HB VAL 28 HB VAL 28 -0.322 -2.056 -13.610 228 HG11 VAL 28 1HG1 VAL 28 1.109 0.223 -15.024 229 HG12 VAL 28 2HG1 VAL 28 -0.509 0.286 -14.326 230 HG13 VAL 28 3HG1 VAL 28 -0.190 -0.761 -15.709 231 HG21 VAL 28 1HG2 VAL 28 1.161 -2.903 -15.415 232 HG22 VAL 28 2HG2 VAL 28 1.773 -3.349 -13.821 233 HG23 VAL 28 3HG2 VAL 28 2.523 -2.023 -14.710 234 H THR 29 H THR 29 3.580 -1.745 -12.176 235 HA THR 29 HA THR 29 4.944 0.765 -12.461 236 HB THR 29 HB THR 29 7.015 -0.710 -12.557 237 HG1 THR 29 HG1 THR 29 5.972 -2.544 -13.521 238 HG21 THR 29 1HG2 THR 29 5.108 -1.347 -10.275 239 HG22 THR 29 2HG2 THR 29 6.166 0.063 -10.366 240 HG23 THR 29 3HG2 THR 29 6.864 -1.554 -10.245 241 H GLN 30 H GLN 30 4.673 1.764 -14.368 242 HA GLN 30 HA GLN 30 4.201 0.363 -16.850 243 HB2 GLN 30 2HB GLN 30 3.291 2.727 -15.887 244 HB3 GLN 30 1HB GLN 30 4.662 3.343 -16.786 245 HG2 GLN 30 2HG GLN 30 2.263 1.835 -17.867 246 HG3 GLN 30 1HG GLN 30 2.687 3.520 -18.142 247 HE21 GLN 30 1HE2 GLN 30 4.519 3.989 -19.482 248 HE22 GLN 30 2HE2 GLN 30 5.025 2.857 -20.685 249 H GLU 31 H GLU 31 5.662 -0.049 -18.426 250 HA GLU 31 HA GLU 31 7.581 -0.353 -19.560 251 HB2 GLU 31 2HB GLU 31 7.213 2.118 -19.957 252 HB3 GLU 31 1HB GLU 31 8.356 2.453 -18.660 253 HG2 GLU 31 2HG GLU 31 10.147 1.343 -19.929 254 HG3 GLU 31 1HG GLU 31 9.007 0.927 -21.206 255 H ASN 32 H ASN 32 7.454 -1.150 -16.795 256 HA ASN 32 HA ASN 32 10.115 -0.986 -15.654 257 HB2 ASN 32 2HB ASN 32 8.149 -1.152 -14.202 258 HB3 ASN 32 1HB ASN 32 7.668 -2.664 -14.957 259 HD21 ASN 32 1HD2 ASN 32 10.030 -1.120 -12.873 260 HD22 ASN 32 2HD2 ASN 32 10.572 -2.565 -12.097 261 H GLY 33 H GLY 33 8.206 -3.243 -17.553 262 HA2 GLY 33 2HA GLY 33 10.017 -4.541 -19.030 263 HA3 GLY 33 1HA GLY 33 10.176 -5.400 -17.497 264 H ARG 34 H ARG 34 7.822 -5.760 -16.498 265 HA ARG 34 HA ARG 34 5.956 -6.760 -18.577 266 HB2 ARG 34 2HB ARG 34 6.617 -8.196 -15.959 267 HB3 ARG 34 1HB ARG 34 5.436 -8.716 -17.162 268 HG2 ARG 34 2HG ARG 34 7.350 -8.955 -18.809 269 HG3 ARG 34 1HG ARG 34 8.460 -8.629 -17.474 270 HD2 ARG 34 2HD ARG 34 7.552 -10.618 -16.278 271 HD3 ARG 34 1HD ARG 34 6.503 -10.946 -17.667 272 HE ARG 34 HE ARG 34 9.470 -10.928 -17.837 273 HH11 ARG 34 1HH1 ARG 34 6.395 -12.454 -18.608 274 HH12 ARG 34 2HH1 ARG 34 7.128 -13.726 -19.525 275 HH21 ARG 34 1HH2 ARG 34 10.402 -12.602 -19.061 276 HH22 ARG 34 2HH2 ARG 34 9.388 -13.805 -19.785 277 H TRP 35 H TRP 35 3.809 -7.443 -17.140 278 HA TRP 35 HA TRP 35 2.810 -4.880 -16.195 279 HB2 TRP 35 2HB TRP 35 1.389 -7.565 -16.564 280 HB3 TRP 35 1HB TRP 35 0.591 -6.033 -16.206 281 HD1 TRP 35 HD1 TRP 35 0.185 -4.371 -18.232 282 HE1 TRP 35 HE1 TRP 35 0.492 -4.566 -20.772 283 HE3 TRP 35 HE3 TRP 35 2.937 -8.687 -18.407 284 HZ2 TRP 35 HZ2 TRP 35 1.737 -6.288 -22.616 285 HZ3 TRP 35 HZ3 TRP 35 3.653 -9.537 -20.603 286 HH2 TRP 35 HH2 TRP 35 3.063 -8.362 -22.666 287 H ARG 36 H ARG 36 4.240 -4.869 -14.315 288 HA ARG 36 HA ARG 36 3.612 -6.756 -12.154 289 HB2 ARG 36 2HB ARG 36 6.017 -6.223 -12.788 290 HB3 ARG 36 1HB ARG 36 5.760 -4.591 -12.177 291 HG2 ARG 36 2HG ARG 36 5.263 -5.529 -9.934 292 HG3 ARG 36 1HG ARG 36 5.539 -7.153 -10.558 293 HD2 ARG 36 2HD ARG 36 7.535 -6.517 -9.425 294 HD3 ARG 36 1HD ARG 36 7.891 -6.420 -11.152 295 HE ARG 36 HE ARG 36 7.019 -3.929 -9.979 296 HH11 ARG 36 1HH1 ARG 36 9.815 -5.885 -10.785 297 HH12 ARG 36 2HH1 ARG 36 10.936 -4.596 -10.501 298 HH21 ARG 36 1HH2 ARG 36 8.504 -2.254 -9.612 299 HH22 ARG 36 2HH2 ARG 36 10.198 -2.547 -9.834 300 H VAL 37 H VAL 37 1.699 -6.147 -11.326 301 HA VAL 37 HA VAL 37 1.024 -3.330 -10.997 302 HB VAL 37 HB VAL 37 -0.680 -5.809 -10.505 303 HG11 VAL 37 1HG1 VAL 37 -2.613 -4.244 -10.553 304 HG12 VAL 37 2HG1 VAL 37 -1.491 -2.880 -10.617 305 HG13 VAL 37 3HG1 VAL 37 -1.526 -3.929 -9.199 306 HG21 VAL 37 1HG2 VAL 37 -0.613 -3.918 -12.892 307 HG22 VAL 37 2HG2 VAL 37 -1.758 -5.242 -12.662 308 HG23 VAL 37 3HG2 VAL 37 -0.044 -5.591 -12.870 309 H THR 38 H THR 38 0.866 -2.284 -9.103 310 HA THR 38 HA THR 38 1.799 -3.673 -6.665 311 HB THR 38 HB THR 38 2.246 -0.746 -7.392 312 HG1 THR 38 HG1 THR 38 3.325 -2.108 -8.880 313 HG21 THR 38 1HG2 THR 38 3.571 -2.508 -5.286 314 HG22 THR 38 2HG2 THR 38 2.402 -1.221 -4.973 315 HG23 THR 38 3HG2 THR 38 3.993 -0.832 -5.633 316 H TRP 39 H TRP 39 0.119 -3.830 -5.225 317 HA TRP 39 HA TRP 39 -1.849 -1.694 -4.963 318 HB2 TRP 39 2HB TRP 39 -2.758 -3.102 -3.049 319 HB3 TRP 39 1HB TRP 39 -2.784 -3.869 -4.624 320 HD1 TRP 39 HD1 TRP 39 -0.978 -5.897 -5.019 321 HE1 TRP 39 HE1 TRP 39 0.091 -7.529 -3.348 322 HE3 TRP 39 HE3 TRP 39 -1.989 -3.410 -0.662 323 HZ2 TRP 39 HZ2 TRP 39 0.445 -7.758 -0.570 324 HZ3 TRP 39 HZ3 TRP 39 -1.262 -4.404 1.464 325 HH2 TRP 39 HH2 TRP 39 -0.069 -6.542 1.510 326 H ASP 40 H ASP 40 -0.850 0.105 -4.356 327 HA ASP 40 HA ASP 40 1.316 0.092 -2.383 328 HB2 ASP 40 2HB ASP 40 1.688 1.287 -4.494 329 HB3 ASP 40 1HB ASP 40 0.263 2.285 -4.220 Start of MODEL 9 1 HA THR 1 HA THR 1 4.106 -2.395 -0.370 2 HB THR 1 HB THR 1 6.839 -3.757 -0.181 3 HG1 THR 1 HG1 THR 1 7.496 -2.008 0.888 4 HG21 THR 1 1HG2 THR 1 5.919 -1.453 -1.965 5 HG22 THR 1 2HG2 THR 1 6.270 -3.093 -2.513 6 HG23 THR 1 3HG2 THR 1 7.564 -2.092 -1.862 7 H GLN 2 H GLN 2 2.388 -3.752 -1.058 8 HA GLN 2 HA GLN 2 2.991 -6.346 -2.288 9 HB2 GLN 2 2HB GLN 2 0.368 -4.822 -2.029 10 HB3 GLN 2 1HB GLN 2 0.525 -6.394 -2.792 11 HG2 GLN 2 2HG GLN 2 -0.365 -6.772 -0.634 12 HG3 GLN 2 1HG GLN 2 1.313 -7.309 -0.582 13 HE21 GLN 2 1HE2 GLN 2 -0.962 -4.841 0.458 14 HE22 GLN 2 2HE2 GLN 2 0.019 -4.184 1.721 15 H THR 3 H THR 3 3.626 -6.439 -4.336 16 HA THR 3 HA THR 3 2.414 -4.894 -6.434 17 HB THR 3 HB THR 3 4.036 -3.236 -5.855 18 HG1 THR 3 HG1 THR 3 4.255 -3.072 -7.928 19 HG21 THR 3 1HG2 THR 3 5.613 -4.558 -4.507 20 HG22 THR 3 2HG2 THR 3 6.470 -3.613 -5.726 21 HG23 THR 3 3HG2 THR 3 6.222 -5.344 -5.967 22 H GLN 4 H GLN 4 1.777 -6.656 -7.498 23 HA GLN 4 HA GLN 4 3.535 -8.999 -7.819 24 HB2 GLN 4 2HB GLN 4 0.545 -8.626 -8.332 25 HB3 GLN 4 1HB GLN 4 1.416 -10.136 -8.605 26 HG2 GLN 4 2HG GLN 4 1.058 -8.754 -5.921 27 HG3 GLN 4 1HG GLN 4 0.149 -10.154 -6.499 28 HE21 GLN 4 1HE2 GLN 4 3.166 -9.045 -5.185 29 HE22 GLN 4 2HE2 GLN 4 3.867 -10.597 -4.918 30 H GLU 5 H GLU 5 4.623 -9.239 -9.695 31 HA GLU 5 HA GLU 5 3.907 -7.719 -12.069 32 HB2 GLU 5 2HB GLU 5 6.002 -8.623 -13.095 33 HB3 GLU 5 1HB GLU 5 6.255 -7.713 -11.616 34 HG2 GLU 5 2HG GLU 5 6.202 -10.747 -11.658 35 HG3 GLU 5 1HG GLU 5 7.665 -9.814 -11.966 36 H PHE 6 H PHE 6 3.128 -8.474 -13.922 37 HA PHE 6 HA PHE 6 2.477 -11.325 -14.237 38 HB2 PHE 6 2HB PHE 6 0.543 -8.985 -14.611 39 HB3 PHE 6 1HB PHE 6 0.196 -10.650 -15.064 40 HD1 PHE 6 HD1 PHE 6 -0.247 -8.248 -12.495 41 HD2 PHE 6 HD2 PHE 6 0.493 -12.420 -13.098 42 HE1 PHE 6 HE1 PHE 6 -1.113 -8.744 -10.251 43 HE2 PHE 6 HE2 PHE 6 -0.383 -12.890 -10.850 44 HZ PHE 6 HZ PHE 6 -1.188 -11.055 -9.429 45 H ASP 7 H ASP 7 1.815 -11.798 -16.444 46 HA ASP 7 HA ASP 7 3.487 -10.352 -18.404 47 HB2 ASP 7 2HB ASP 7 3.721 -12.475 -19.546 48 HB3 ASP 7 1HB ASP 7 4.035 -12.761 -17.839 49 H ASN 8 H ASN 8 2.358 -11.478 -20.734 50 HA ASN 8 HA ASN 8 0.160 -9.659 -21.137 51 HB2 ASN 8 2HB ASN 8 2.090 -10.144 -22.782 52 HB3 ASN 8 1HB ASN 8 1.249 -11.637 -23.173 53 HD21 ASN 8 1HD2 ASN 8 0.847 -11.039 -25.322 54 HD22 ASN 8 2HD2 ASN 8 -0.251 -9.782 -25.768 55 H GLU 9 H GLU 9 0.088 -12.647 -19.781 56 HA GLU 9 HA GLU 9 -2.158 -13.882 -21.034 57 HB2 GLU 9 2HB GLU 9 -0.452 -15.037 -19.546 58 HB3 GLU 9 1HB GLU 9 -1.180 -14.247 -18.161 59 HG2 GLU 9 2HG GLU 9 -1.899 -16.599 -18.408 60 HG3 GLU 9 1HG GLU 9 -3.249 -15.466 -18.471 61 H GLU 10 H GLU 10 -1.905 -11.078 -19.187 62 HA GLU 10 HA GLU 10 -3.387 -9.482 -18.639 63 HB2 GLU 10 2HB GLU 10 -4.638 -10.435 -20.698 64 HB3 GLU 10 1HB GLU 10 -5.689 -11.247 -19.545 65 HG2 GLU 10 2HG GLU 10 -6.332 -9.031 -18.611 66 HG3 GLU 10 1HG GLU 10 -5.296 -8.246 -19.801 67 H GLU 11 H GLU 11 -2.616 -11.760 -16.900 68 HA GLU 11 HA GLU 11 -4.651 -12.334 -15.000 69 HB2 GLU 11 2HB GLU 11 -1.622 -12.434 -14.667 70 HB3 GLU 11 1HB GLU 11 -2.799 -13.174 -13.580 71 HG2 GLU 11 2HG GLU 11 -2.296 -13.933 -16.479 72 HG3 GLU 11 1HG GLU 11 -1.786 -14.839 -15.052 73 H ALA 12 H ALA 12 -2.677 -9.561 -15.496 74 HA ALA 12 HA ALA 12 -2.711 -8.362 -12.929 75 HB1 ALA 12 1HB ALA 12 -2.633 -7.025 -15.658 76 HB2 ALA 12 2HB ALA 12 -1.231 -7.582 -14.742 77 HB3 ALA 12 3HB ALA 12 -2.219 -6.256 -14.122 78 H ARG 13 H ARG 13 -5.077 -8.515 -15.537 79 HA ARG 13 HA ARG 13 -6.934 -6.658 -14.310 80 HB2 ARG 13 2HB ARG 13 -7.251 -8.534 -16.690 81 HB3 ARG 13 1HB ARG 13 -8.510 -7.430 -16.131 82 HG2 ARG 13 2HG ARG 13 -5.780 -6.658 -17.234 83 HG3 ARG 13 1HG ARG 13 -7.349 -6.449 -18.024 84 HD2 ARG 13 2HD ARG 13 -6.338 -5.003 -15.537 85 HD3 ARG 13 1HD ARG 13 -6.652 -4.305 -17.129 86 HE ARG 13 HE ARG 13 -8.598 -4.982 -15.065 87 HH11 ARG 13 1HH1 ARG 13 -8.161 -3.995 -18.416 88 HH12 ARG 13 2HH1 ARG 13 -9.812 -3.499 -18.594 89 HH21 ARG 13 1HH2 ARG 13 -10.722 -4.287 -15.311 90 HH22 ARG 13 2HH2 ARG 13 -11.255 -3.646 -16.837 91 H LYS 14 H LYS 14 -6.462 -10.148 -14.383 92 HA LYS 14 HA LYS 14 -8.921 -10.889 -13.147 93 HB2 LYS 14 2HB LYS 14 -7.302 -12.417 -14.376 94 HB3 LYS 14 1HB LYS 14 -6.262 -12.365 -12.960 95 HG2 LYS 14 2HG LYS 14 -7.910 -13.515 -11.615 96 HG3 LYS 14 1HG LYS 14 -9.138 -13.342 -12.875 97 HD2 LYS 14 2HD LYS 14 -7.753 -14.817 -14.370 98 HD3 LYS 14 1HD LYS 14 -6.607 -15.035 -13.047 99 HE2 LYS 14 2HE LYS 14 -9.536 -15.841 -12.912 100 HE3 LYS 14 1HE LYS 14 -8.228 -16.934 -13.352 101 HZ1 LYS 14 1HZ LYS 14 -7.241 -16.594 -11.181 102 HZ2 LYS 14 2HZ LYS 14 -8.833 -17.150 -11.031 103 HZ3 LYS 14 3HZ LYS 14 -8.480 -15.523 -10.754 104 H ALA 15 H ALA 15 -5.791 -9.864 -11.931 105 HA ALA 15 HA ALA 15 -6.323 -10.088 -9.128 106 HB1 ALA 15 1HB ALA 15 -4.324 -8.667 -8.871 107 HB2 ALA 15 2HB ALA 15 -4.329 -8.332 -10.606 108 HB3 ALA 15 3HB ALA 15 -4.028 -9.972 -10.024 109 H GLU 16 H GLU 16 -6.442 -7.389 -11.457 110 HA GLU 16 HA GLU 16 -7.111 -5.272 -9.783 111 HB2 GLU 16 2HB GLU 16 -6.323 -4.996 -12.095 112 HB3 GLU 16 1HB GLU 16 -7.793 -5.717 -12.725 113 HG2 GLU 16 2HG GLU 16 -7.842 -3.129 -11.146 114 HG3 GLU 16 1HG GLU 16 -7.491 -3.148 -12.871 115 H LYS 17 H LYS 17 -9.243 -7.547 -11.480 116 HA LYS 17 HA LYS 17 -11.691 -6.238 -10.746 117 HB2 LYS 17 2HB LYS 17 -11.118 -8.857 -12.162 118 HB3 LYS 17 1HB LYS 17 -12.761 -8.336 -11.783 119 HG2 LYS 17 2HG LYS 17 -12.435 -6.289 -13.118 120 HG3 LYS 17 1HG LYS 17 -10.785 -6.788 -13.502 121 HD2 LYS 17 2HD LYS 17 -13.171 -8.535 -14.214 122 HD3 LYS 17 1HD LYS 17 -12.679 -7.205 -15.259 123 HE2 LYS 17 2HE LYS 17 -11.713 -9.239 -16.111 124 HE3 LYS 17 1HE LYS 17 -10.412 -8.261 -15.444 125 HZ1 LYS 17 1HZ LYS 17 -10.401 -9.646 -13.488 126 HZ2 LYS 17 2HZ LYS 17 -10.211 -10.598 -14.871 127 HZ3 LYS 17 3HZ LYS 17 -11.702 -10.552 -14.077 128 H GLU 18 H GLU 18 -9.675 -8.058 -8.899 129 HA GLU 18 HA GLU 18 -11.853 -8.873 -7.052 130 HB2 GLU 18 2HB GLU 18 -10.147 -10.611 -7.695 131 HB3 GLU 18 1HB GLU 18 -8.891 -9.612 -6.976 132 HG2 GLU 18 2HG GLU 18 -9.958 -9.846 -4.760 133 HG3 GLU 18 1HG GLU 18 -11.250 -10.817 -5.475 134 H LEU 19 H LEU 19 -8.920 -6.966 -7.439 135 HA LEU 19 HA LEU 19 -8.649 -5.985 -4.780 136 HB2 LEU 19 2HB LEU 19 -7.453 -5.292 -7.458 137 HB3 LEU 19 1HB LEU 19 -7.196 -4.182 -6.132 138 HG LEU 19 HG LEU 19 -5.782 -5.645 -4.960 139 HD11 LEU 19 1HD1 LEU 19 -7.171 -7.641 -4.854 140 HD12 LEU 19 2HD1 LEU 19 -5.530 -8.067 -5.329 141 HD13 LEU 19 3HD1 LEU 19 -6.812 -8.017 -6.540 142 HD21 LEU 19 1HD2 LEU 19 -4.094 -6.438 -6.564 143 HD22 LEU 19 2HD2 LEU 19 -4.716 -4.858 -7.034 144 HD23 LEU 19 3HD2 LEU 19 -5.265 -6.308 -7.883 145 H ARG 20 H ARG 20 -10.630 -5.000 -7.456 146 HA ARG 20 HA ARG 20 -11.127 -2.289 -6.573 147 HB2 ARG 20 2HB ARG 20 -12.684 -2.173 -8.461 148 HB3 ARG 20 1HB ARG 20 -11.192 -2.954 -8.982 149 HG2 ARG 20 2HG ARG 20 -12.323 -5.176 -8.729 150 HG3 ARG 20 1HG ARG 20 -13.826 -4.332 -8.345 151 HD2 ARG 20 2HD ARG 20 -12.274 -4.119 -10.951 152 HD3 ARG 20 1HD ARG 20 -13.750 -5.049 -10.699 153 HE ARG 20 HE ARG 20 -14.711 -2.720 -10.083 154 HH11 ARG 20 1HH1 ARG 20 -12.230 -3.182 -12.528 155 HH12 ARG 20 2HH1 ARG 20 -12.919 -2.010 -13.609 156 HH21 ARG 20 1HH2 ARG 20 -15.570 -1.162 -11.517 157 HH22 ARG 20 2HH2 ARG 20 -14.790 -0.870 -13.036 158 H LYS 21 H LYS 21 -12.111 -5.166 -5.306 159 HA LYS 21 HA LYS 21 -14.873 -5.221 -5.077 160 HB2 LYS 21 2HB LYS 21 -13.349 -7.062 -4.409 161 HB3 LYS 21 1HB LYS 21 -12.775 -6.101 -3.050 162 HG2 LYS 21 2HG LYS 21 -15.141 -6.159 -2.121 163 HG3 LYS 21 1HG LYS 21 -15.543 -7.310 -3.403 164 HD2 LYS 21 2HD LYS 21 -13.473 -7.691 -1.194 165 HD3 LYS 21 1HD LYS 21 -15.034 -8.509 -1.323 166 HE2 LYS 21 2HE LYS 21 -14.271 -9.615 -3.406 167 HE3 LYS 21 1HE LYS 21 -12.707 -8.806 -3.267 168 HZ1 LYS 21 1HZ LYS 21 -12.627 -11.064 -2.430 169 HZ2 LYS 21 2HZ LYS 21 -13.841 -10.724 -1.312 170 HZ3 LYS 21 3HZ LYS 21 -12.343 -9.965 -1.179 171 H GLU 22 H GLU 22 -12.717 -4.152 -2.427 172 HA GLU 22 HA GLU 22 -14.869 -2.609 -1.184 173 HB2 GLU 22 2HB GLU 22 -13.529 -4.089 0.257 174 HB3 GLU 22 1HB GLU 22 -12.046 -3.294 -0.243 175 HG2 GLU 22 2HG GLU 22 -12.674 -2.581 1.988 176 HG3 GLU 22 1HG GLU 22 -12.755 -1.218 0.871 177 H ASN 23 H ASN 23 -11.401 -2.008 -1.715 178 HA ASN 23 HA ASN 23 -11.960 0.774 -2.549 179 HB2 ASN 23 2HB ASN 23 -9.768 1.381 -1.463 180 HB3 ASN 23 1HB ASN 23 -10.982 0.843 -0.311 181 HD21 ASN 23 1HD2 ASN 23 -10.703 -1.176 0.719 182 HD22 ASN 23 2HD2 ASN 23 -9.181 -1.988 0.758 183 H ARG 24 H ARG 24 -11.070 1.342 -4.468 184 HA ARG 24 HA ARG 24 -9.772 -0.655 -6.115 185 HB2 ARG 24 2HB ARG 24 -10.423 2.272 -6.681 186 HB3 ARG 24 1HB ARG 24 -9.856 1.112 -7.882 187 HG2 ARG 24 2HG ARG 24 -11.941 -0.211 -7.535 188 HG3 ARG 24 1HG ARG 24 -12.504 1.023 -6.396 189 HD2 ARG 24 2HD ARG 24 -11.911 1.423 -9.358 190 HD3 ARG 24 1HD ARG 24 -13.505 1.382 -8.601 191 HE ARG 24 HE ARG 24 -12.609 3.410 -7.285 192 HH11 ARG 24 1HH1 ARG 24 -11.853 2.786 -10.659 193 HH12 ARG 24 2HH1 ARG 24 -11.596 4.459 -11.034 194 HH21 ARG 24 1HH2 ARG 24 -12.276 5.609 -7.811 195 HH22 ARG 24 2HH2 ARG 24 -11.830 6.050 -9.429 196 H ARG 25 H ARG 25 -7.967 -0.571 -4.277 197 HA ARG 25 HA ARG 25 -5.956 1.505 -4.700 198 HB2 ARG 25 2HB ARG 25 -6.531 0.448 -2.394 199 HB3 ARG 25 1HB ARG 25 -5.670 -0.978 -2.950 200 HG2 ARG 25 2HG ARG 25 -4.217 0.396 -1.551 201 HG3 ARG 25 1HG ARG 25 -3.599 0.356 -3.209 202 HD2 ARG 25 2HD ARG 25 -4.505 2.578 -3.650 203 HD3 ARG 25 1HD ARG 25 -5.303 2.615 -2.073 204 HE ARG 25 HE ARG 25 -2.463 3.024 -2.651 205 HH11 ARG 25 1HH1 ARG 25 -4.889 2.555 -0.139 206 HH12 ARG 25 2HH1 ARG 25 -3.934 3.325 1.086 207 HH21 ARG 25 1HH2 ARG 25 -1.236 4.034 -1.027 208 HH22 ARG 25 2HH2 ARG 25 -1.876 4.166 0.579 209 H VAL 26 H VAL 26 -5.876 0.899 -6.975 210 HA VAL 26 HA VAL 26 -3.886 -1.231 -7.517 211 HB VAL 26 HB VAL 26 -4.903 -1.478 -9.817 212 HG11 VAL 26 1HG1 VAL 26 -6.835 -2.878 -9.139 213 HG12 VAL 26 2HG1 VAL 26 -6.796 -2.155 -7.529 214 HG13 VAL 26 3HG1 VAL 26 -5.440 -3.138 -8.088 215 HG21 VAL 26 1HG2 VAL 26 -6.086 0.679 -9.975 216 HG22 VAL 26 2HG2 VAL 26 -7.191 0.189 -8.691 217 HG23 VAL 26 3HG2 VAL 26 -7.211 -0.656 -10.242 218 H THR 27 H THR 27 -2.106 -0.526 -8.480 219 HA THR 27 HA THR 27 -2.095 1.978 -10.059 220 HB THR 27 HB THR 27 0.052 1.069 -8.076 221 HG1 THR 27 HG1 THR 27 -1.536 3.443 -8.120 222 HG21 THR 27 1HG2 THR 27 0.069 3.473 -9.942 223 HG22 THR 27 2HG2 THR 27 1.130 2.061 -10.069 224 HG23 THR 27 3HG2 THR 27 1.252 3.155 -8.683 225 H VAL 28 H VAL 28 -1.622 1.412 -12.122 226 HA VAL 28 HA VAL 28 -0.222 -1.022 -12.776 227 HB VAL 28 HB VAL 28 -1.979 -0.252 -14.285 228 HG11 VAL 28 1HG1 VAL 28 -1.819 2.179 -14.002 229 HG12 VAL 28 2HG1 VAL 28 -1.770 1.754 -15.712 230 HG13 VAL 28 3HG1 VAL 28 -0.283 2.201 -14.873 231 HG21 VAL 28 1HG2 VAL 28 -0.780 -0.501 -16.442 232 HG22 VAL 28 2HG2 VAL 28 -0.151 -1.614 -15.226 233 HG23 VAL 28 3HG2 VAL 28 0.752 -0.154 -15.632 234 H THR 29 H THR 29 1.882 -1.220 -12.689 235 HA THR 29 HA THR 29 3.693 1.120 -12.908 236 HB THR 29 HB THR 29 4.036 -1.383 -11.180 237 HG1 THR 29 HG1 THR 29 3.478 1.299 -10.381 238 HG21 THR 29 1HG2 THR 29 5.735 1.137 -11.318 239 HG22 THR 29 2HG2 THR 29 6.219 -0.460 -11.894 240 HG23 THR 29 3HG2 THR 29 5.949 -0.188 -10.172 241 H GLN 30 H GLN 30 4.483 0.959 -14.957 242 HA GLN 30 HA GLN 30 5.091 -1.710 -16.112 243 HB2 GLN 30 2HB GLN 30 4.869 -0.353 -18.357 244 HB3 GLN 30 1HB GLN 30 3.417 -0.805 -17.486 245 HG2 GLN 30 2HG GLN 30 3.220 1.459 -18.346 246 HG3 GLN 30 1HG GLN 30 3.203 1.456 -16.587 247 HE21 GLN 30 1HE2 GLN 30 5.085 2.277 -19.435 248 HE22 GLN 30 2HE2 GLN 30 6.179 3.357 -18.640 249 H GLU 31 H GLU 31 6.929 -0.431 -14.379 250 HA GLU 31 HA GLU 31 9.029 0.926 -15.717 251 HB2 GLU 31 2HB GLU 31 9.143 -0.792 -13.203 252 HB3 GLU 31 1HB GLU 31 10.429 0.288 -13.748 253 HG2 GLU 31 2HG GLU 31 8.832 2.212 -13.530 254 HG3 GLU 31 1HG GLU 31 7.643 1.098 -12.853 255 H ASN 32 H ASN 32 8.088 -2.367 -15.793 256 HA ASN 32 HA ASN 32 10.602 -3.164 -17.151 257 HB2 ASN 32 2HB ASN 32 8.821 -4.912 -15.380 258 HB3 ASN 32 1HB ASN 32 10.265 -5.449 -16.231 259 HD21 ASN 32 1HD2 ASN 32 11.892 -3.122 -15.618 260 HD22 ASN 32 2HD2 ASN 32 12.267 -3.213 -13.937 261 H GLY 33 H GLY 33 10.149 -5.241 -18.479 262 HA2 GLY 33 2HA GLY 33 8.212 -4.804 -20.486 263 HA3 GLY 33 1HA GLY 33 9.112 -6.295 -20.233 264 H ARG 34 H ARG 34 8.257 -7.072 -17.734 265 HA ARG 34 HA ARG 34 5.470 -7.832 -18.053 266 HB2 ARG 34 2HB ARG 34 7.296 -8.314 -15.654 267 HB3 ARG 34 1HB ARG 34 5.781 -9.134 -16.004 268 HG2 ARG 34 2HG ARG 34 8.313 -9.365 -17.668 269 HG3 ARG 34 1HG ARG 34 7.807 -10.518 -16.433 270 HD2 ARG 34 2HD ARG 34 5.706 -10.904 -17.778 271 HD3 ARG 34 1HD ARG 34 6.410 -9.911 -19.065 272 HE ARG 34 HE ARG 34 8.220 -11.951 -18.264 273 HH11 ARG 34 1HH1 ARG 34 5.369 -11.510 -20.277 274 HH12 ARG 34 2HH1 ARG 34 5.640 -12.984 -21.150 275 HH21 ARG 34 1HH2 ARG 34 8.553 -13.837 -19.429 276 HH22 ARG 34 2HH2 ARG 34 7.435 -14.277 -20.682 277 H TRP 35 H TRP 35 4.051 -6.200 -17.702 278 HA TRP 35 HA TRP 35 4.345 -4.037 -15.891 279 HB2 TRP 35 2HB TRP 35 1.728 -3.885 -16.232 280 HB3 TRP 35 1HB TRP 35 2.794 -3.576 -17.595 281 HD1 TRP 35 HD1 TRP 35 1.037 -6.826 -16.213 282 HE1 TRP 35 HE1 TRP 35 0.089 -8.102 -18.237 283 HE3 TRP 35 HE3 TRP 35 2.484 -3.645 -19.948 284 HZ2 TRP 35 HZ2 TRP 35 -0.062 -7.794 -21.024 285 HZ3 TRP 35 HZ3 TRP 35 1.890 -4.204 -22.264 286 HH2 TRP 35 HH2 TRP 35 0.641 -6.240 -22.799 287 H ARG 36 H ARG 36 3.490 -3.702 -13.811 288 HA ARG 36 HA ARG 36 2.542 -6.094 -12.360 289 HB2 ARG 36 2HB ARG 36 4.077 -5.625 -10.508 290 HB3 ARG 36 1HB ARG 36 4.956 -5.892 -12.004 291 HG2 ARG 36 2HG ARG 36 5.149 -3.365 -12.202 292 HG3 ARG 36 1HG ARG 36 4.530 -3.278 -10.549 293 HD2 ARG 36 2HD ARG 36 7.085 -4.627 -11.494 294 HD3 ARG 36 1HD ARG 36 6.951 -3.180 -10.488 295 HE ARG 36 HE ARG 36 5.645 -5.311 -9.188 296 HH11 ARG 36 1HH1 ARG 36 8.906 -4.231 -9.928 297 HH12 ARG 36 2HH1 ARG 36 9.627 -5.175 -8.666 298 HH21 ARG 36 1HH2 ARG 36 6.607 -6.529 -7.551 299 HH22 ARG 36 2HH2 ARG 36 8.323 -6.463 -7.314 300 H VAL 37 H VAL 37 0.933 -5.767 -10.962 301 HA VAL 37 HA VAL 37 -0.163 -3.077 -10.638 302 HB VAL 37 HB VAL 37 -1.753 -4.844 -11.255 303 HG11 VAL 37 1HG1 VAL 37 -0.684 -6.813 -10.238 304 HG12 VAL 37 2HG1 VAL 37 -2.374 -6.696 -9.750 305 HG13 VAL 37 3HG1 VAL 37 -1.097 -6.225 -8.625 306 HG21 VAL 37 1HG2 VAL 37 -2.249 -3.837 -8.426 307 HG22 VAL 37 2HG2 VAL 37 -3.488 -4.429 -9.537 308 HG23 VAL 37 3HG2 VAL 37 -2.592 -2.958 -9.919 309 H THR 38 H THR 38 0.566 -1.900 -8.993 310 HA THR 38 HA THR 38 1.487 -3.077 -6.485 311 HB THR 38 HB THR 38 1.451 -0.141 -7.346 312 HG1 THR 38 HG1 THR 38 3.267 -0.547 -8.366 313 HG21 THR 38 1HG2 THR 38 2.961 -1.528 -5.083 314 HG22 THR 38 2HG2 THR 38 1.590 -0.429 -4.889 315 HG23 THR 38 3HG2 THR 38 3.114 0.170 -5.542 316 H TRP 39 H TRP 39 0.137 -3.286 -4.824 317 HA TRP 39 HA TRP 39 -2.219 -1.559 -4.492 318 HB2 TRP 39 2HB TRP 39 -3.528 -3.690 -3.882 319 HB3 TRP 39 1HB TRP 39 -3.214 -3.420 -5.586 320 HD1 TRP 39 HD1 TRP 39 -1.084 -4.979 -6.632 321 HE1 TRP 39 HE1 TRP 39 -0.509 -7.425 -6.110 322 HE3 TRP 39 HE3 TRP 39 -3.550 -5.484 -2.173 323 HZ2 TRP 39 HZ2 TRP 39 -1.015 -9.321 -4.111 324 HZ3 TRP 39 HZ3 TRP 39 -3.463 -7.657 -1.025 325 HH2 TRP 39 HH2 TRP 39 -2.220 -9.541 -1.974 326 H ASP 40 H ASP 40 -1.068 -0.522 -2.865 327 HA ASP 40 HA ASP 40 -0.884 -1.950 -0.306 328 HB2 ASP 40 2HB ASP 40 1.343 -2.270 -1.416 329 HB3 ASP 40 1HB ASP 40 1.551 -0.521 -1.481 Start of MODEL 10 1 HA THR 1 HA THR 1 2.478 -1.655 0.476 2 HB THR 1 HB THR 1 0.563 -1.995 2.074 3 HG1 THR 1 HG1 THR 1 2.387 -2.102 3.202 4 HG21 THR 1 1HG2 THR 1 -0.059 -4.268 2.807 5 HG22 THR 1 2HG2 THR 1 0.959 -4.972 1.548 6 HG23 THR 1 3HG2 THR 1 -0.467 -4.034 1.107 7 H GLN 2 H GLN 2 1.035 -4.350 -1.192 8 HA GLN 2 HA GLN 2 3.609 -5.714 -1.508 9 HB2 GLN 2 2HB GLN 2 2.524 -6.851 0.387 10 HB3 GLN 2 1HB GLN 2 1.027 -7.038 -0.517 11 HG2 GLN 2 2HG GLN 2 2.259 -9.150 -0.398 12 HG3 GLN 2 1HG GLN 2 2.130 -8.589 -2.064 13 HE21 GLN 2 1HE2 GLN 2 3.904 -9.779 -2.762 14 HE22 GLN 2 2HE2 GLN 2 5.530 -9.416 -2.312 15 H THR 3 H THR 3 3.906 -6.413 -3.539 16 HA THR 3 HA THR 3 1.710 -6.225 -5.499 17 HB THR 3 HB THR 3 3.808 -4.959 -5.995 18 HG1 THR 3 HG1 THR 3 2.867 -5.407 -7.863 19 HG21 THR 3 1HG2 THR 3 5.144 -7.680 -6.193 20 HG22 THR 3 2HG2 THR 3 5.464 -6.470 -4.952 21 HG23 THR 3 3HG2 THR 3 5.880 -6.137 -6.635 22 H GLN 4 H GLN 4 1.658 -7.912 -7.189 23 HA GLN 4 HA GLN 4 2.726 -10.555 -6.393 24 HB2 GLN 4 2HB GLN 4 0.074 -10.118 -6.248 25 HB3 GLN 4 1HB GLN 4 0.148 -10.369 -7.987 26 HG2 GLN 4 2HG GLN 4 1.041 -12.337 -5.849 27 HG3 GLN 4 1HG GLN 4 -0.458 -12.430 -6.762 28 HE21 GLN 4 1HE2 GLN 4 1.736 -14.375 -6.510 29 HE22 GLN 4 2HE2 GLN 4 2.256 -14.715 -8.121 30 H GLU 5 H GLU 5 4.056 -11.342 -7.946 31 HA GLU 5 HA GLU 5 4.537 -9.664 -10.256 32 HB2 GLU 5 2HB GLU 5 6.540 -11.244 -10.589 33 HB3 GLU 5 1HB GLU 5 6.526 -10.239 -9.147 34 HG2 GLU 5 2HG GLU 5 5.631 -12.265 -7.885 35 HG3 GLU 5 1HG GLU 5 5.978 -13.209 -9.335 36 H PHE 6 H PHE 6 2.778 -9.995 -11.506 37 HA PHE 6 HA PHE 6 2.360 -12.549 -12.855 38 HB2 PHE 6 2HB PHE 6 0.901 -9.882 -13.067 39 HB3 PHE 6 1HB PHE 6 0.503 -11.290 -14.042 40 HD1 PHE 6 HD1 PHE 6 -0.236 -9.575 -10.999 41 HD2 PHE 6 HD2 PHE 6 -0.089 -13.487 -12.723 42 HE1 PHE 6 HE1 PHE 6 -1.802 -10.400 -9.289 43 HE2 PHE 6 HE2 PHE 6 -1.658 -14.294 -11.009 44 HZ PHE 6 HZ PHE 6 -2.522 -12.754 -9.296 45 H ASP 7 H ASP 7 2.105 -12.379 -15.287 46 HA ASP 7 HA ASP 7 4.676 -11.340 -16.302 47 HB2 ASP 7 2HB ASP 7 4.589 -13.178 -17.883 48 HB3 ASP 7 1HB ASP 7 4.316 -13.804 -16.265 49 H ASN 8 H ASN 8 4.315 -11.565 -18.975 50 HA ASN 8 HA ASN 8 3.081 -9.081 -19.671 51 HB2 ASN 8 2HB ASN 8 5.210 -10.021 -20.648 52 HB3 ASN 8 1HB ASN 8 4.255 -11.219 -21.505 53 HD21 ASN 8 1HD2 ASN 8 2.981 -10.526 -23.293 54 HD22 ASN 8 2HD2 ASN 8 3.248 -9.001 -24.062 55 H GLU 9 H GLU 9 1.689 -12.184 -19.364 56 HA GLU 9 HA GLU 9 -0.284 -11.956 -21.485 57 HB2 GLU 9 2HB GLU 9 -0.112 -13.859 -19.114 58 HB3 GLU 9 1HB GLU 9 -1.342 -13.958 -20.378 59 HG2 GLU 9 2HG GLU 9 1.659 -14.287 -20.759 60 HG3 GLU 9 1HG GLU 9 0.467 -15.585 -20.740 61 H GLU 10 H GLU 10 0.082 -10.326 -18.625 62 HA GLU 10 HA GLU 10 -1.073 -8.537 -17.901 63 HB2 GLU 10 2HB GLU 10 -1.841 -8.452 -20.355 64 HB3 GLU 10 1HB GLU 10 -3.326 -9.240 -19.835 65 HG2 GLU 10 2HG GLU 10 -3.918 -7.359 -18.452 66 HG3 GLU 10 1HG GLU 10 -2.341 -6.609 -18.703 67 H GLU 11 H GLU 11 -1.354 -11.231 -16.768 68 HA GLU 11 HA GLU 11 -3.960 -11.848 -15.893 69 HB2 GLU 11 2HB GLU 11 -1.303 -12.542 -14.586 70 HB3 GLU 11 1HB GLU 11 -2.841 -13.351 -14.277 71 HG2 GLU 11 2HG GLU 11 -1.335 -13.319 -16.925 72 HG3 GLU 11 1HG GLU 11 -1.394 -14.658 -15.773 73 H ALA 12 H ALA 12 -1.669 -9.538 -14.682 74 HA ALA 12 HA ALA 12 -2.579 -9.066 -12.063 75 HB1 ALA 12 1HB ALA 12 -1.508 -6.865 -12.284 76 HB2 ALA 12 2HB ALA 12 -1.417 -7.072 -14.036 77 HB3 ALA 12 3HB ALA 12 -0.491 -8.133 -12.975 78 H ARG 13 H ARG 13 -3.730 -7.878 -15.163 79 HA ARG 13 HA ARG 13 -5.454 -5.815 -14.165 80 HB2 ARG 13 2HB ARG 13 -5.156 -7.090 -16.903 81 HB3 ARG 13 1HB ARG 13 -6.190 -5.698 -16.575 82 HG2 ARG 13 2HG ARG 13 -3.211 -5.670 -15.976 83 HG3 ARG 13 1HG ARG 13 -3.865 -5.227 -17.553 84 HD2 ARG 13 2HD ARG 13 -4.429 -3.856 -14.908 85 HD3 ARG 13 1HD ARG 13 -3.485 -3.213 -16.252 86 HE ARG 13 HE ARG 13 -6.276 -3.040 -15.910 87 HH11 ARG 13 1HH1 ARG 13 -3.969 -3.578 -18.533 88 HH12 ARG 13 2HH1 ARG 13 -5.060 -3.000 -19.752 89 HH21 ARG 13 1HH2 ARG 13 -7.667 -2.307 -17.554 90 HH22 ARG 13 2HH2 ARG 13 -7.114 -2.286 -19.199 91 H LYS 14 H LYS 14 -5.886 -9.184 -15.093 92 HA LYS 14 HA LYS 14 -8.716 -9.315 -15.235 93 HB2 LYS 14 2HB LYS 14 -6.609 -11.415 -14.576 94 HB3 LYS 14 1HB LYS 14 -8.319 -11.817 -14.548 95 HG2 LYS 14 2HG LYS 14 -7.421 -12.532 -16.654 96 HG3 LYS 14 1HG LYS 14 -8.489 -11.159 -16.953 97 HD2 LYS 14 2HD LYS 14 -6.516 -9.673 -17.160 98 HD3 LYS 14 1HD LYS 14 -5.450 -11.040 -16.832 99 HE2 LYS 14 2HE LYS 14 -7.310 -10.803 -19.225 100 HE3 LYS 14 1HE LYS 14 -5.567 -10.517 -19.244 101 HZ1 LYS 14 1HZ LYS 14 -5.199 -12.806 -18.647 102 HZ2 LYS 14 2HZ LYS 14 -6.168 -12.738 -20.030 103 HZ3 LYS 14 3HZ LYS 14 -6.861 -13.095 -18.534 104 H ALA 15 H ALA 15 -6.459 -9.811 -12.541 105 HA ALA 15 HA ALA 15 -8.426 -10.205 -10.500 106 HB1 ALA 15 1HB ALA 15 -6.537 -9.951 -8.938 107 HB2 ALA 15 2HB ALA 15 -5.501 -9.417 -10.266 108 HB3 ALA 15 3HB ALA 15 -6.143 -11.060 -10.253 109 H GLU 16 H GLU 16 -6.598 -7.458 -11.723 110 HA GLU 16 HA GLU 16 -6.865 -5.568 -9.742 111 HB2 GLU 16 2HB GLU 16 -5.401 -5.306 -11.696 112 HB3 GLU 16 1HB GLU 16 -6.803 -5.151 -12.749 113 HG2 GLU 16 2HG GLU 16 -7.414 -3.047 -11.466 114 HG3 GLU 16 1HG GLU 16 -5.855 -3.173 -10.655 115 H LYS 17 H LYS 17 -9.117 -6.211 -12.434 116 HA LYS 17 HA LYS 17 -10.931 -4.119 -12.151 117 HB2 LYS 17 2HB LYS 17 -10.961 -5.758 -14.022 118 HB3 LYS 17 1HB LYS 17 -11.532 -7.008 -12.917 119 HG2 LYS 17 2HG LYS 17 -13.581 -5.528 -12.494 120 HG3 LYS 17 1HG LYS 17 -13.025 -4.525 -13.840 121 HD2 LYS 17 2HD LYS 17 -13.185 -6.504 -15.345 122 HD3 LYS 17 1HD LYS 17 -13.766 -7.480 -13.991 123 HE2 LYS 17 2HE LYS 17 -15.733 -5.950 -13.782 124 HE3 LYS 17 1HE LYS 17 -15.166 -5.063 -15.201 125 HZ1 LYS 17 1HZ LYS 17 -16.860 -6.660 -15.786 126 HZ2 LYS 17 2HZ LYS 17 -15.948 -7.922 -15.130 127 HZ3 LYS 17 3HZ LYS 17 -15.387 -7.097 -16.491 128 H GLU 18 H GLU 18 -10.904 -7.267 -10.565 129 HA GLU 18 HA GLU 18 -13.319 -6.876 -9.044 130 HB2 GLU 18 2HB GLU 18 -11.183 -9.045 -8.808 131 HB3 GLU 18 1HB GLU 18 -12.812 -9.105 -8.126 132 HG2 GLU 18 2HG GLU 18 -12.110 -9.065 -11.089 133 HG3 GLU 18 1HG GLU 18 -12.610 -10.479 -10.160 134 H LEU 19 H LEU 19 -9.873 -6.487 -8.486 135 HA LEU 19 HA LEU 19 -9.959 -6.172 -5.633 136 HB2 LEU 19 2HB LEU 19 -7.860 -5.266 -7.640 137 HB3 LEU 19 1HB LEU 19 -7.652 -5.250 -5.895 138 HG LEU 19 HG LEU 19 -7.963 -7.735 -7.635 139 HD11 LEU 19 1HD1 LEU 19 -5.771 -6.690 -7.917 140 HD12 LEU 19 2HD1 LEU 19 -5.619 -8.215 -7.048 141 HD13 LEU 19 3HD1 LEU 19 -5.517 -6.685 -6.169 142 HD21 LEU 19 1HD2 LEU 19 -7.541 -7.563 -4.634 143 HD22 LEU 19 2HD2 LEU 19 -7.500 -9.042 -5.598 144 HD23 LEU 19 3HD2 LEU 19 -8.997 -8.125 -5.460 145 H ARG 20 H ARG 20 -10.397 -4.029 -8.375 146 HA ARG 20 HA ARG 20 -10.178 -1.527 -6.999 147 HB2 ARG 20 2HB ARG 20 -11.378 -2.325 -9.670 148 HB3 ARG 20 1HB ARG 20 -11.522 -0.675 -9.069 149 HG2 ARG 20 2HG ARG 20 -9.007 -0.572 -8.952 150 HG3 ARG 20 1HG ARG 20 -8.958 -2.155 -9.732 151 HD2 ARG 20 2HD ARG 20 -8.619 -0.327 -11.355 152 HD3 ARG 20 1HD ARG 20 -10.094 -1.235 -11.711 153 HE ARG 20 HE ARG 20 -10.865 0.884 -10.096 154 HH11 ARG 20 1HH1 ARG 20 -9.274 0.658 -13.212 155 HH12 ARG 20 2HH1 ARG 20 -10.052 2.072 -13.842 156 HH21 ARG 20 1HH2 ARG 20 -11.879 2.727 -10.935 157 HH22 ARG 20 2HH2 ARG 20 -11.519 3.240 -12.555 158 H LYS 21 H LYS 21 -12.708 -3.890 -7.317 159 HA LYS 21 HA LYS 21 -14.918 -2.209 -6.625 160 HB2 LYS 21 2HB LYS 21 -15.106 -4.419 -7.821 161 HB3 LYS 21 1HB LYS 21 -14.673 -5.237 -6.330 162 HG2 LYS 21 2HG LYS 21 -17.102 -5.303 -6.739 163 HG3 LYS 21 1HG LYS 21 -16.721 -4.432 -5.248 164 HD2 LYS 21 2HD LYS 21 -17.035 -2.272 -6.401 165 HD3 LYS 21 1HD LYS 21 -17.343 -3.109 -7.926 166 HE2 LYS 21 2HE LYS 21 -19.063 -3.316 -5.425 167 HE3 LYS 21 1HE LYS 21 -19.429 -2.332 -6.843 168 HZ1 LYS 21 1HZ LYS 21 -19.187 -5.292 -6.798 169 HZ2 LYS 21 2HZ LYS 21 -19.509 -4.358 -8.171 170 HZ3 LYS 21 3HZ LYS 21 -20.624 -4.410 -6.904 171 H GLU 22 H GLU 22 -12.379 -3.675 -4.810 172 HA GLU 22 HA GLU 22 -13.627 -3.395 -2.196 173 HB2 GLU 22 2HB GLU 22 -10.720 -3.925 -2.964 174 HB3 GLU 22 1HB GLU 22 -11.401 -4.080 -1.342 175 HG2 GLU 22 2HG GLU 22 -12.837 -5.924 -2.102 176 HG3 GLU 22 1HG GLU 22 -12.232 -5.748 -3.750 177 H ASN 23 H ASN 23 -12.230 -2.090 -0.503 178 HA ASN 23 HA ASN 23 -12.197 0.696 -1.330 179 HB2 ASN 23 2HB ASN 23 -11.319 -0.474 1.352 180 HB3 ASN 23 1HB ASN 23 -11.721 1.210 1.019 181 HD21 ASN 23 1HD2 ASN 23 -12.969 -1.989 1.579 182 HD22 ASN 23 2HD2 ASN 23 -14.621 -1.532 1.807 183 H ARG 24 H ARG 24 -9.932 -1.794 -1.445 184 HA ARG 24 HA ARG 24 -7.506 -0.474 -0.738 185 HB2 ARG 24 2HB ARG 24 -6.408 -2.472 -1.495 186 HB3 ARG 24 1HB ARG 24 -7.944 -3.004 -0.817 187 HG2 ARG 24 2HG ARG 24 -8.794 -2.888 -3.304 188 HG3 ARG 24 1HG ARG 24 -7.078 -2.905 -3.712 189 HD2 ARG 24 2HD ARG 24 -8.669 -5.023 -2.250 190 HD3 ARG 24 1HD ARG 24 -7.912 -5.147 -3.841 191 HE ARG 24 HE ARG 24 -5.896 -4.628 -1.976 192 HH11 ARG 24 1HH1 ARG 24 -8.200 -7.192 -2.674 193 HH12 ARG 24 2HH1 ARG 24 -7.205 -8.429 -1.976 194 HH21 ARG 24 1HH2 ARG 24 -4.635 -6.236 -1.037 195 HH22 ARG 24 2HH2 ARG 24 -5.170 -7.887 -1.058 196 H ARG 25 H ARG 25 -5.965 0.471 -2.068 197 HA ARG 25 HA ARG 25 -6.668 1.175 -4.835 198 HB2 ARG 25 2HB ARG 25 -4.429 2.141 -3.006 199 HB3 ARG 25 1HB ARG 25 -4.660 2.680 -4.674 200 HG2 ARG 25 2HG ARG 25 -6.840 3.648 -4.087 201 HG3 ARG 25 1HG ARG 25 -6.669 3.061 -2.424 202 HD2 ARG 25 2HD ARG 25 -4.821 5.063 -3.779 203 HD3 ARG 25 1HD ARG 25 -6.113 5.462 -2.642 204 HE ARG 25 HE ARG 25 -4.839 3.979 -1.030 205 HH11 ARG 25 1HH1 ARG 25 -3.144 5.821 -3.490 206 HH12 ARG 25 2HH1 ARG 25 -1.703 5.966 -2.537 207 HH21 ARG 25 1HH2 ARG 25 -2.982 4.188 0.192 208 HH22 ARG 25 2HH2 ARG 25 -1.617 5.050 -0.448 209 H VAL 26 H VAL 26 -5.884 0.022 -6.451 210 HA VAL 26 HA VAL 26 -3.457 -1.648 -6.139 211 HB VAL 26 HB VAL 26 -4.435 -3.134 -7.881 212 HG11 VAL 26 1HG1 VAL 26 -6.083 -4.224 -6.469 213 HG12 VAL 26 2HG1 VAL 26 -6.381 -2.734 -5.572 214 HG13 VAL 26 3HG1 VAL 26 -4.826 -3.546 -5.440 215 HG21 VAL 26 1HG2 VAL 26 -5.867 -1.515 -9.082 216 HG22 VAL 26 2HG2 VAL 26 -6.931 -1.391 -7.682 217 HG23 VAL 26 3HG2 VAL 26 -6.815 -2.914 -8.569 218 H THR 27 H THR 27 -1.841 -1.387 -7.600 219 HA THR 27 HA THR 27 -2.269 0.219 -10.033 220 HB THR 27 HB THR 27 0.066 0.594 -8.100 221 HG1 THR 27 HG1 THR 27 -2.338 1.982 -8.532 222 HG21 THR 27 1HG2 THR 27 0.777 0.899 -10.463 223 HG22 THR 27 2HG2 THR 27 0.767 2.434 -9.598 224 HG23 THR 27 3HG2 THR 27 -0.546 2.048 -10.709 225 H VAL 28 H VAL 28 -1.889 -1.216 -11.645 226 HA VAL 28 HA VAL 28 0.041 -3.337 -11.513 227 HB VAL 28 HB VAL 28 -1.958 -3.438 -13.002 228 HG11 VAL 28 1HG1 VAL 28 -2.047 -2.205 -15.144 229 HG12 VAL 28 2HG1 VAL 28 -0.584 -1.322 -14.700 230 HG13 VAL 28 3HG1 VAL 28 -2.062 -1.105 -13.763 231 HG21 VAL 28 1HG2 VAL 28 0.664 -3.675 -14.538 232 HG22 VAL 28 2HG2 VAL 28 -0.861 -4.450 -14.977 233 HG23 VAL 28 3HG2 VAL 28 -0.036 -4.910 -13.488 234 H THR 29 H THR 29 2.149 -3.367 -12.279 235 HA THR 29 HA THR 29 3.593 -0.912 -12.529 236 HB THR 29 HB THR 29 4.453 -3.799 -12.991 237 HG1 THR 29 HG1 THR 29 3.765 -2.656 -10.800 238 HG21 THR 29 1HG2 THR 29 6.070 -2.284 -14.105 239 HG22 THR 29 2HG2 THR 29 6.780 -3.042 -12.682 240 HG23 THR 29 3HG2 THR 29 6.245 -1.364 -12.603 241 H GLN 30 H GLN 30 4.902 -0.317 -14.382 242 HA GLN 30 HA GLN 30 3.374 0.425 -16.509 243 HB2 GLN 30 2HB GLN 30 6.408 0.163 -16.496 244 HB3 GLN 30 1HB GLN 30 5.474 1.157 -17.613 245 HG2 GLN 30 2HG GLN 30 5.601 1.537 -14.603 246 HG3 GLN 30 1HG GLN 30 6.501 2.478 -15.791 247 HE21 GLN 30 1HE2 GLN 30 4.444 3.282 -13.766 248 HE22 GLN 30 2HE2 GLN 30 3.236 4.131 -14.661 249 H GLU 31 H GLU 31 3.192 -0.065 -18.665 250 HA GLU 31 HA GLU 31 3.005 -2.763 -19.466 251 HB2 GLU 31 2HB GLU 31 1.617 -0.856 -20.320 252 HB3 GLU 31 1HB GLU 31 3.025 -0.245 -21.178 253 HG2 GLU 31 2HG GLU 31 3.053 -2.432 -22.471 254 HG3 GLU 31 1HG GLU 31 1.504 -2.812 -21.713 255 H ASN 32 H ASN 32 5.707 -0.699 -19.374 256 HA ASN 32 HA ASN 32 7.267 -1.590 -21.559 257 HB2 ASN 32 2HB ASN 32 8.170 -0.363 -18.918 258 HB3 ASN 32 1HB ASN 32 9.128 -0.457 -20.395 259 HD21 ASN 32 1HD2 ASN 32 8.483 0.834 -22.208 260 HD22 ASN 32 2HD2 ASN 32 7.509 2.243 -21.983 261 H GLY 33 H GLY 33 6.635 -3.047 -18.412 262 HA2 GLY 33 2HA GLY 33 7.722 -5.538 -19.062 263 HA3 GLY 33 1HA GLY 33 8.981 -4.661 -18.200 264 H ARG 34 H ARG 34 7.268 -7.079 -17.587 265 HA ARG 34 HA ARG 34 6.211 -8.139 -15.920 266 HB2 ARG 34 2HB ARG 34 7.905 -6.211 -14.295 267 HB3 ARG 34 1HB ARG 34 6.981 -7.515 -13.551 268 HG2 ARG 34 2HG ARG 34 8.270 -9.160 -14.930 269 HG3 ARG 34 1HG ARG 34 9.239 -7.828 -15.565 270 HD2 ARG 34 2HD ARG 34 10.028 -7.308 -13.291 271 HD3 ARG 34 1HD ARG 34 9.044 -8.617 -12.635 272 HE ARG 34 HE ARG 34 10.442 -10.186 -13.926 273 HH11 ARG 34 1HH1 ARG 34 11.777 -6.995 -13.373 274 HH12 ARG 34 2HH1 ARG 34 13.423 -7.538 -13.452 275 HH21 ARG 34 1HH2 ARG 34 12.597 -10.888 -14.037 276 HH22 ARG 34 2HH2 ARG 34 13.886 -9.740 -13.845 277 H TRP 35 H TRP 35 4.125 -7.611 -16.433 278 HA TRP 35 HA TRP 35 2.830 -5.236 -15.353 279 HB2 TRP 35 2HB TRP 35 1.549 -7.574 -16.852 280 HB3 TRP 35 1HB TRP 35 0.849 -5.983 -16.582 281 HD1 TRP 35 HD1 TRP 35 4.193 -5.049 -17.539 282 HE1 TRP 35 HE1 TRP 35 4.441 -4.710 -20.070 283 HE3 TRP 35 HE3 TRP 35 -0.110 -7.294 -19.111 284 HZ2 TRP 35 HZ2 TRP 35 2.999 -5.271 -22.413 285 HZ3 TRP 35 HZ3 TRP 35 -0.622 -7.342 -21.514 286 HH2 TRP 35 HH2 TRP 35 0.908 -6.345 -23.136 287 H ARG 36 H ARG 36 3.005 -5.513 -13.161 288 HA ARG 36 HA ARG 36 1.706 -7.863 -11.897 289 HB2 ARG 36 2HB ARG 36 3.455 -7.773 -10.148 290 HB3 ARG 36 1HB ARG 36 4.154 -8.019 -11.742 291 HG2 ARG 36 2HG ARG 36 4.618 -5.503 -11.766 292 HG3 ARG 36 1HG ARG 36 4.201 -5.513 -10.052 293 HD2 ARG 36 2HD ARG 36 6.435 -7.104 -11.355 294 HD3 ARG 36 1HD ARG 36 6.634 -5.626 -10.416 295 HE ARG 36 HE ARG 36 5.315 -7.525 -8.815 296 HH11 ARG 36 1HH1 ARG 36 8.500 -6.970 -10.204 297 HH12 ARG 36 2HH1 ARG 36 9.309 -7.907 -8.988 298 HH21 ARG 36 1HH2 ARG 36 6.410 -8.761 -7.257 299 HH22 ARG 36 2HH2 ARG 36 8.136 -8.913 -7.330 300 H VAL 37 H VAL 37 0.155 -7.422 -10.402 301 HA VAL 37 HA VAL 37 -0.673 -4.650 -10.071 302 HB VAL 37 HB VAL 37 -2.370 -6.358 -10.602 303 HG11 VAL 37 1HG1 VAL 37 -1.435 -8.306 -9.427 304 HG12 VAL 37 2HG1 VAL 37 -3.122 -8.053 -8.981 305 HG13 VAL 37 3HG1 VAL 37 -1.835 -7.580 -7.869 306 HG21 VAL 37 1HG2 VAL 37 -2.833 -5.103 -7.865 307 HG22 VAL 37 2HG2 VAL 37 -4.094 -5.695 -8.950 308 HG23 VAL 37 3HG2 VAL 37 -3.095 -4.322 -9.426 309 H THR 38 H THR 38 -0.253 -3.414 -8.355 310 HA THR 38 HA THR 38 0.944 -4.571 -5.914 311 HB THR 38 HB THR 38 1.202 -1.702 -6.919 312 HG1 THR 38 HG1 THR 38 2.506 -2.598 -8.328 313 HG21 THR 38 1HG2 THR 38 2.775 -3.250 -4.813 314 HG22 THR 38 2HG2 THR 38 1.619 -1.954 -4.490 315 HG23 THR 38 3HG2 THR 38 3.118 -1.605 -5.349 316 H TRP 39 H TRP 39 -0.545 -4.795 -4.423 317 HA TRP 39 HA TRP 39 -2.766 -2.855 -4.106 318 HB2 TRP 39 2HB TRP 39 -3.982 -4.957 -3.139 319 HB3 TRP 39 1HB TRP 39 -3.761 -4.872 -4.876 320 HD1 TRP 39 HD1 TRP 39 -2.352 -6.749 -6.049 321 HE1 TRP 39 HE1 TRP 39 -1.240 -8.912 -5.243 322 HE3 TRP 39 HE3 TRP 39 -2.699 -6.056 -0.980 323 HZ2 TRP 39 HZ2 TRP 39 -0.609 -10.174 -2.835 324 HZ3 TRP 39 HZ3 TRP 39 -1.819 -7.802 0.506 325 HH2 TRP 39 HH2 TRP 39 -0.790 -9.826 -0.406 326 H ASP 40 H ASP 40 -3.478 -2.429 -1.965 327 HA ASP 40 HA ASP 40 -1.666 -3.210 0.221 328 HB2 ASP 40 2HB ASP 40 -2.940 -1.605 1.623 329 HB3 ASP 40 1HB ASP 40 -2.258 -0.846 0.188 Start of MODEL 11 1 HA THR 1 HA THR 1 5.856 -6.585 -1.578 2 HB THR 1 HB THR 1 5.488 -8.242 -3.463 3 HG1 THR 1 HG1 THR 1 3.802 -9.473 -2.825 4 HG21 THR 1 1HG2 THR 1 7.163 -9.887 -2.695 5 HG22 THR 1 2HG2 THR 1 6.943 -9.355 -1.029 6 HG23 THR 1 3HG2 THR 1 7.633 -8.253 -2.221 7 H GLN 2 H GLN 2 4.441 -4.886 -1.452 8 HA GLN 2 HA GLN 2 1.703 -4.862 -2.094 9 HB2 GLN 2 2HB GLN 2 1.885 -2.475 -2.380 10 HB3 GLN 2 1HB GLN 2 2.918 -2.937 -1.038 11 HG2 GLN 2 2HG GLN 2 3.869 -2.290 -3.852 12 HG3 GLN 2 1HG GLN 2 3.919 -1.190 -2.478 13 HE21 GLN 2 1HE2 GLN 2 6.055 -2.341 -4.219 14 HE22 GLN 2 2HE2 GLN 2 7.195 -3.039 -3.133 15 H THR 3 H THR 3 4.575 -4.766 -4.122 16 HA THR 3 HA THR 3 3.095 -4.564 -6.619 17 HB THR 3 HB THR 3 5.461 -4.965 -7.613 18 HG1 THR 3 HG1 THR 3 6.340 -5.880 -5.649 19 HG21 THR 3 1HG2 THR 3 5.069 -2.541 -5.818 20 HG22 THR 3 2HG2 THR 3 4.488 -2.704 -7.475 21 HG23 THR 3 3HG2 THR 3 6.221 -2.659 -7.152 22 H GLN 4 H GLN 4 1.804 -6.351 -6.721 23 HA GLN 4 HA GLN 4 2.900 -9.056 -6.602 24 HB2 GLN 4 2HB GLN 4 0.618 -8.692 -5.765 25 HB3 GLN 4 1HB GLN 4 0.120 -8.002 -7.299 26 HG2 GLN 4 2HG GLN 4 -0.767 -10.235 -7.116 27 HG3 GLN 4 1HG GLN 4 0.449 -10.206 -8.386 28 HE21 GLN 4 1HE2 GLN 4 -0.615 -12.475 -6.887 29 HE22 GLN 4 2HE2 GLN 4 0.735 -13.243 -6.136 30 H GLU 5 H GLU 5 3.985 -9.849 -8.320 31 HA GLU 5 HA GLU 5 3.940 -8.259 -10.781 32 HB2 GLU 5 2HB GLU 5 6.072 -8.520 -9.512 33 HB3 GLU 5 1HB GLU 5 6.045 -10.244 -9.863 34 HG2 GLU 5 2HG GLU 5 6.349 -9.858 -12.217 35 HG3 GLU 5 1HG GLU 5 6.062 -8.129 -12.033 36 H PHE 6 H PHE 6 2.382 -8.992 -12.028 37 HA PHE 6 HA PHE 6 1.972 -11.798 -12.661 38 HB2 PHE 6 2HB PHE 6 0.722 -9.300 -13.895 39 HB3 PHE 6 1HB PHE 6 0.197 -10.953 -14.168 40 HD1 PHE 6 HD1 PHE 6 0.244 -8.158 -11.746 41 HD2 PHE 6 HD2 PHE 6 -1.123 -12.143 -12.481 42 HE1 PHE 6 HE1 PHE 6 -1.285 -7.996 -9.831 43 HE2 PHE 6 HE2 PHE 6 -2.651 -11.965 -10.560 44 HZ PHE 6 HZ PHE 6 -2.729 -9.897 -9.234 45 H ASP 7 H ASP 7 1.695 -12.173 -15.184 46 HA ASP 7 HA ASP 7 4.325 -11.733 -16.381 47 HB2 ASP 7 2HB ASP 7 3.502 -14.019 -16.280 48 HB3 ASP 7 1HB ASP 7 1.992 -13.573 -17.060 49 H ASN 8 H ASN 8 4.449 -11.354 -18.718 50 HA ASN 8 HA ASN 8 3.562 -8.965 -19.713 51 HB2 ASN 8 2HB ASN 8 5.435 -10.392 -20.591 52 HB3 ASN 8 1HB ASN 8 4.255 -11.476 -21.299 53 HD21 ASN 8 1HD2 ASN 8 6.437 -9.962 -22.541 54 HD22 ASN 8 2HD2 ASN 8 5.711 -9.017 -23.793 55 H GLU 9 H GLU 9 1.852 -12.072 -19.891 56 HA GLU 9 HA GLU 9 0.007 -11.309 -21.952 57 HB2 GLU 9 2HB GLU 9 0.059 -13.677 -20.062 58 HB3 GLU 9 1HB GLU 9 -1.148 -13.481 -21.331 59 HG2 GLU 9 2HG GLU 9 0.715 -13.434 -23.018 60 HG3 GLU 9 1HG GLU 9 1.854 -13.773 -21.714 61 H GLU 10 H GLU 10 0.039 -9.743 -19.250 62 HA GLU 10 HA GLU 10 -1.394 -8.110 -18.633 63 HB2 GLU 10 2HB GLU 10 -2.117 -8.315 -21.094 64 HB3 GLU 10 1HB GLU 10 -3.467 -9.286 -20.520 65 HG2 GLU 10 2HG GLU 10 -4.125 -7.308 -19.090 66 HG3 GLU 10 1HG GLU 10 -2.888 -6.374 -19.915 67 H GLU 11 H GLU 11 -1.237 -10.677 -17.244 68 HA GLU 11 HA GLU 11 -3.768 -11.604 -16.330 69 HB2 GLU 11 2HB GLU 11 -1.141 -11.789 -14.817 70 HB3 GLU 11 1HB GLU 11 -2.549 -12.827 -14.627 71 HG2 GLU 11 2HG GLU 11 -2.195 -13.702 -16.905 72 HG3 GLU 11 1HG GLU 11 -0.770 -12.673 -17.082 73 H ALA 12 H ALA 12 -2.082 -8.780 -15.618 74 HA ALA 12 HA ALA 12 -2.676 -8.139 -12.964 75 HB1 ALA 12 1HB ALA 12 -1.011 -6.956 -14.321 76 HB2 ALA 12 2HB ALA 12 -2.185 -5.817 -13.659 77 HB3 ALA 12 3HB ALA 12 -2.288 -6.309 -15.351 78 H ARG 13 H ARG 13 -4.711 -8.059 -15.806 79 HA ARG 13 HA ARG 13 -6.681 -6.183 -14.964 80 HB2 ARG 13 2HB ARG 13 -7.021 -8.531 -16.876 81 HB3 ARG 13 1HB ARG 13 -8.095 -7.137 -16.746 82 HG2 ARG 13 2HG ARG 13 -5.197 -7.056 -17.643 83 HG3 ARG 13 1HG ARG 13 -6.605 -7.021 -18.707 84 HD2 ARG 13 2HD ARG 13 -5.922 -4.917 -16.621 85 HD3 ARG 13 1HD ARG 13 -5.620 -4.778 -18.356 86 HE ARG 13 HE ARG 13 -8.139 -5.050 -18.578 87 HH11 ARG 13 1HH1 ARG 13 -6.702 -3.523 -15.760 88 HH12 ARG 13 2HH1 ARG 13 -8.068 -2.501 -15.472 89 HH21 ARG 13 1HH2 ARG 13 -9.917 -3.708 -18.172 90 HH22 ARG 13 2HH2 ARG 13 -9.883 -2.604 -16.834 91 H LYS 14 H LYS 14 -6.265 -9.640 -14.472 92 HA LYS 14 HA LYS 14 -8.776 -10.347 -13.433 93 HB2 LYS 14 2HB LYS 14 -7.039 -11.984 -14.127 94 HB3 LYS 14 1HB LYS 14 -6.023 -11.491 -12.776 95 HG2 LYS 14 2HG LYS 14 -7.812 -12.298 -11.216 96 HG3 LYS 14 1HG LYS 14 -8.709 -12.897 -12.614 97 HD2 LYS 14 2HD LYS 14 -6.793 -14.411 -13.153 98 HD3 LYS 14 1HD LYS 14 -5.942 -13.812 -11.724 99 HE2 LYS 14 2HE LYS 14 -8.580 -15.320 -11.736 100 HE3 LYS 14 1HE LYS 14 -7.012 -15.962 -11.240 101 HZ1 LYS 14 1HZ LYS 14 -6.978 -14.377 -9.418 102 HZ2 LYS 14 2HZ LYS 14 -8.378 -15.321 -9.347 103 HZ3 LYS 14 3HZ LYS 14 -8.462 -13.728 -9.907 104 H ALA 15 H ALA 15 -5.838 -9.143 -11.826 105 HA ALA 15 HA ALA 15 -6.669 -9.249 -9.145 106 HB1 ALA 15 1HB ALA 15 -4.331 -8.862 -9.790 107 HB2 ALA 15 2HB ALA 15 -4.894 -7.594 -8.700 108 HB3 ALA 15 3HB ALA 15 -4.752 -7.274 -10.433 109 H GLU 16 H GLU 16 -6.770 -6.530 -11.447 110 HA GLU 16 HA GLU 16 -8.013 -4.655 -9.752 111 HB2 GLU 16 2HB GLU 16 -6.751 -4.154 -11.875 112 HB3 GLU 16 1HB GLU 16 -8.120 -4.768 -12.793 113 HG2 GLU 16 2HG GLU 16 -9.537 -2.978 -11.697 114 HG3 GLU 16 1HG GLU 16 -8.057 -2.312 -11.007 115 H LYS 17 H LYS 17 -9.331 -7.170 -11.834 116 HA LYS 17 HA LYS 17 -12.002 -6.266 -12.063 117 HB2 LYS 17 2HB LYS 17 -10.875 -8.005 -13.520 118 HB3 LYS 17 1HB LYS 17 -11.021 -9.148 -12.193 119 HG2 LYS 17 2HG LYS 17 -12.793 -9.522 -13.824 120 HG3 LYS 17 1HG LYS 17 -13.487 -8.963 -12.297 121 HD2 LYS 17 2HD LYS 17 -13.703 -6.685 -13.220 122 HD3 LYS 17 1HD LYS 17 -12.967 -7.217 -14.735 123 HE2 LYS 17 2HE LYS 17 -14.887 -8.709 -15.147 124 HE3 LYS 17 1HE LYS 17 -15.605 -8.227 -13.605 125 HZ1 LYS 17 1HZ LYS 17 -15.073 -6.442 -15.913 126 HZ2 LYS 17 2HZ LYS 17 -15.718 -5.948 -14.435 127 HZ3 LYS 17 3HZ LYS 17 -16.588 -7.009 -15.426 128 H GLU 18 H GLU 18 -10.354 -8.133 -9.610 129 HA GLU 18 HA GLU 18 -12.781 -8.698 -8.081 130 HB2 GLU 18 2HB GLU 18 -10.611 -10.188 -8.271 131 HB3 GLU 18 1HB GLU 18 -9.913 -9.069 -7.110 132 HG2 GLU 18 2HG GLU 18 -12.360 -10.819 -6.678 133 HG3 GLU 18 1HG GLU 18 -10.746 -11.135 -6.055 134 H LEU 19 H LEU 19 -9.763 -6.862 -7.676 135 HA LEU 19 HA LEU 19 -10.371 -5.711 -5.181 136 HB2 LEU 19 2HB LEU 19 -8.199 -5.271 -7.224 137 HB3 LEU 19 1HB LEU 19 -8.317 -4.189 -5.856 138 HG LEU 19 HG LEU 19 -6.614 -5.896 -5.467 139 HD11 LEU 19 1HD1 LEU 19 -7.798 -5.016 -3.531 140 HD12 LEU 19 2HD1 LEU 19 -7.289 -6.680 -3.275 141 HD13 LEU 19 3HD1 LEU 19 -8.981 -6.323 -3.635 142 HD21 LEU 19 1HD2 LEU 19 -7.456 -7.732 -6.816 143 HD22 LEU 19 2HD2 LEU 19 -8.802 -7.979 -5.703 144 HD23 LEU 19 3HD2 LEU 19 -7.145 -8.276 -5.169 145 H ARG 20 H ARG 20 -11.579 -4.750 -8.201 146 HA ARG 20 HA ARG 20 -11.748 -1.948 -8.020 147 HB2 ARG 20 2HB ARG 20 -13.681 -2.130 -9.578 148 HB3 ARG 20 1HB ARG 20 -12.318 -3.125 -10.089 149 HG2 ARG 20 2HG ARG 20 -13.417 -5.138 -9.223 150 HG3 ARG 20 1HG ARG 20 -14.767 -4.169 -8.624 151 HD2 ARG 20 2HD ARG 20 -15.383 -3.562 -10.922 152 HD3 ARG 20 1HD ARG 20 -13.985 -4.448 -11.552 153 HE ARG 20 HE ARG 20 -15.309 -6.325 -10.113 154 HH11 ARG 20 1HH1 ARG 20 -16.360 -4.199 -12.705 155 HH12 ARG 20 2HH1 ARG 20 -17.556 -5.318 -13.285 156 HH21 ARG 20 1HH2 ARG 20 -16.858 -7.766 -10.873 157 HH22 ARG 20 2HH2 ARG 20 -17.838 -7.334 -12.238 158 H LYS 21 H LYS 21 -13.663 -4.475 -6.484 159 HA LYS 21 HA LYS 21 -15.669 -2.684 -5.387 160 HB2 LYS 21 2HB LYS 21 -16.225 -5.021 -6.025 161 HB3 LYS 21 1HB LYS 21 -15.101 -5.627 -4.813 162 HG2 LYS 21 2HG LYS 21 -16.502 -4.645 -3.025 163 HG3 LYS 21 1HG LYS 21 -17.622 -4.024 -4.242 164 HD2 LYS 21 2HD LYS 21 -17.006 -6.973 -3.755 165 HD3 LYS 21 1HD LYS 21 -18.437 -6.123 -3.160 166 HE2 LYS 21 2HE LYS 21 -17.708 -6.589 -6.082 167 HE3 LYS 21 1HE LYS 21 -18.975 -7.414 -5.174 168 HZ1 LYS 21 1HZ LYS 21 -18.903 -4.512 -5.820 169 HZ2 LYS 21 2HZ LYS 21 -20.108 -5.276 -4.909 170 HZ3 LYS 21 3HZ LYS 21 -19.898 -5.675 -6.540 171 H GLU 22 H GLU 22 -12.577 -3.908 -4.470 172 HA GLU 22 HA GLU 22 -12.806 -3.613 -1.632 173 HB2 GLU 22 2HB GLU 22 -10.741 -4.508 -3.543 174 HB3 GLU 22 1HB GLU 22 -10.038 -3.543 -2.258 175 HG2 GLU 22 2HG GLU 22 -11.644 -6.087 -1.958 176 HG3 GLU 22 1HG GLU 22 -9.923 -5.873 -1.662 177 H ASN 23 H ASN 23 -11.336 -2.266 -0.386 178 HA ASN 23 HA ASN 23 -11.437 0.544 -1.106 179 HB2 ASN 23 2HB ASN 23 -10.246 -0.787 1.375 180 HB3 ASN 23 1HB ASN 23 -10.621 0.926 1.186 181 HD21 ASN 23 1HD2 ASN 23 -11.938 -2.270 1.674 182 HD22 ASN 23 2HD2 ASN 23 -13.526 -1.770 2.134 183 H ARG 24 H ARG 24 -9.294 -1.992 -1.641 184 HA ARG 24 HA ARG 24 -6.759 -0.780 -1.127 185 HB2 ARG 24 2HB ARG 24 -7.290 -3.089 -3.051 186 HB3 ARG 24 1HB ARG 24 -5.808 -2.738 -2.168 187 HG2 ARG 24 2HG ARG 24 -8.419 -3.747 -0.966 188 HG3 ARG 24 1HG ARG 24 -6.970 -4.701 -1.268 189 HD2 ARG 24 2HD ARG 24 -6.765 -4.290 0.999 190 HD3 ARG 24 1HD ARG 24 -5.824 -2.952 0.346 191 HE ARG 24 HE ARG 24 -8.657 -2.662 1.178 192 HH11 ARG 24 1HH1 ARG 24 -5.360 -1.424 1.224 193 HH12 ARG 24 2HH1 ARG 24 -5.748 -0.125 2.304 194 HH21 ARG 24 1HH2 ARG 24 -9.126 -0.982 2.597 195 HH22 ARG 24 2HH2 ARG 24 -7.884 0.130 3.061 196 H ARG 25 H ARG 25 -6.102 0.998 -2.288 197 HA ARG 25 HA ARG 25 -6.913 1.581 -4.971 198 HB2 ARG 25 2HB ARG 25 -4.637 2.772 -3.321 199 HB3 ARG 25 1HB ARG 25 -5.101 3.348 -4.915 200 HG2 ARG 25 2HG ARG 25 -6.112 4.867 -3.451 201 HG3 ARG 25 1HG ARG 25 -7.428 3.783 -3.904 202 HD2 ARG 25 2HD ARG 25 -7.062 2.539 -1.762 203 HD3 ARG 25 1HD ARG 25 -5.843 3.740 -1.312 204 HE ARG 25 HE ARG 25 -8.696 4.392 -1.826 205 HH11 ARG 25 1HH1 ARG 25 -5.803 4.823 0.139 206 HH12 ARG 25 2HH1 ARG 25 -6.542 6.002 1.170 207 HH21 ARG 25 1HH2 ARG 25 -9.651 5.936 -0.441 208 HH22 ARG 25 2HH2 ARG 25 -8.722 6.633 0.848 209 H VAL 26 H VAL 26 -6.378 0.083 -6.480 210 HA VAL 26 HA VAL 26 -3.656 -1.039 -6.558 211 HB VAL 26 HB VAL 26 -4.509 -2.677 -8.178 212 HG11 VAL 26 1HG1 VAL 26 -4.671 -3.205 -5.788 213 HG12 VAL 26 2HG1 VAL 26 -6.002 -3.942 -6.677 214 HG13 VAL 26 3HG1 VAL 26 -6.282 -2.488 -5.715 215 HG21 VAL 26 1HG2 VAL 26 -7.220 -1.320 -7.920 216 HG22 VAL 26 2HG2 VAL 26 -6.918 -2.846 -8.756 217 HG23 VAL 26 3HG2 VAL 26 -6.202 -1.352 -9.361 218 H THR 27 H THR 27 -2.223 -0.546 -8.088 219 HA THR 27 HA THR 27 -2.985 1.085 -10.434 220 HB THR 27 HB THR 27 -0.639 1.652 -8.559 221 HG1 THR 27 HG1 THR 27 -3.172 2.442 -8.450 222 HG21 THR 27 1HG2 THR 27 -0.223 3.653 -9.944 223 HG22 THR 27 2HG2 THR 27 -1.500 3.161 -11.058 224 HG23 THR 27 3HG2 THR 27 -0.037 2.183 -10.905 225 H VAL 28 H VAL 28 -2.554 -0.304 -12.061 226 HA VAL 28 HA VAL 28 -0.483 -2.286 -11.971 227 HB VAL 28 HB VAL 28 -2.555 -2.732 -13.195 228 HG11 VAL 28 1HG1 VAL 28 -3.103 -0.492 -14.029 229 HG12 VAL 28 2HG1 VAL 28 -3.095 -1.653 -15.358 230 HG13 VAL 28 3HG1 VAL 28 -1.737 -0.546 -15.145 231 HG21 VAL 28 1HG2 VAL 28 -0.528 -3.956 -13.876 232 HG22 VAL 28 2HG2 VAL 28 -0.154 -2.710 -15.068 233 HG23 VAL 28 3HG2 VAL 28 -1.598 -3.707 -15.258 234 H THR 29 H THR 29 1.446 -2.341 -13.013 235 HA THR 29 HA THR 29 2.465 -0.001 -14.476 236 HB THR 29 HB THR 29 4.031 -1.441 -12.274 237 HG1 THR 29 HG1 THR 29 2.374 0.835 -12.159 238 HG21 THR 29 1HG2 THR 29 5.598 0.454 -12.460 239 HG22 THR 29 2HG2 THR 29 4.610 1.164 -13.738 240 HG23 THR 29 3HG2 THR 29 5.439 -0.371 -14.014 241 H GLN 30 H GLN 30 2.779 -0.982 -16.463 242 HA GLN 30 HA GLN 30 3.392 -3.705 -16.896 243 HB2 GLN 30 2HB GLN 30 3.849 -3.065 -19.237 244 HB3 GLN 30 1HB GLN 30 2.361 -2.339 -18.641 245 HG2 GLN 30 2HG GLN 30 3.495 -0.189 -18.339 246 HG3 GLN 30 1HG GLN 30 5.021 -0.902 -18.862 247 HE21 GLN 30 1HE2 GLN 30 3.489 1.343 -19.971 248 HE22 GLN 30 2HE2 GLN 30 3.213 0.957 -21.630 249 H GLU 31 H GLU 31 5.405 -0.898 -16.344 250 HA GLU 31 HA GLU 31 7.572 -0.563 -15.834 251 HB2 GLU 31 2HB GLU 31 6.938 -2.533 -14.248 252 HB3 GLU 31 1HB GLU 31 7.889 -3.545 -15.322 253 HG2 GLU 31 2HG GLU 31 9.211 -2.891 -13.382 254 HG3 GLU 31 1HG GLU 31 9.886 -2.169 -14.849 255 H ASN 32 H ASN 32 6.734 -1.599 -18.613 256 HA ASN 32 HA ASN 32 7.548 -2.146 -20.646 257 HB2 ASN 32 2HB ASN 32 10.138 -1.009 -19.515 258 HB3 ASN 32 1HB ASN 32 9.863 -1.365 -21.222 259 HD21 ASN 32 1HD2 ASN 32 9.047 0.747 -18.564 260 HD22 ASN 32 2HD2 ASN 32 8.307 1.986 -19.511 261 H GLY 33 H GLY 33 7.593 -4.155 -18.512 262 HA2 GLY 33 2HA GLY 33 9.383 -6.145 -19.745 263 HA3 GLY 33 1HA GLY 33 9.478 -5.880 -18.014 264 H ARG 34 H ARG 34 7.166 -5.862 -16.940 265 HA ARG 34 HA ARG 34 5.215 -7.628 -18.115 266 HB2 ARG 34 2HB ARG 34 5.240 -9.335 -16.292 267 HB3 ARG 34 1HB ARG 34 6.671 -9.389 -17.305 268 HG2 ARG 34 2HG ARG 34 6.657 -7.998 -14.605 269 HG3 ARG 34 1HG ARG 34 6.988 -9.723 -14.780 270 HD2 ARG 34 2HD ARG 34 8.859 -9.100 -16.377 271 HD3 ARG 34 1HD ARG 34 8.596 -7.418 -15.919 272 HE ARG 34 HE ARG 34 9.192 -8.046 -13.620 273 HH11 ARG 34 1HH1 ARG 34 10.211 -10.233 -16.192 274 HH12 ARG 34 2HH1 ARG 34 11.505 -10.914 -15.261 275 HH21 ARG 34 1HH2 ARG 34 10.906 -8.930 -12.429 276 HH22 ARG 34 2HH2 ARG 34 11.896 -10.177 -13.120 277 H TRP 35 H TRP 35 3.251 -7.603 -17.055 278 HA TRP 35 HA TRP 35 2.597 -5.112 -15.848 279 HB2 TRP 35 2HB TRP 35 0.938 -7.612 -16.379 280 HB3 TRP 35 1HB TRP 35 0.262 -6.097 -15.792 281 HD1 TRP 35 HD1 TRP 35 2.632 -6.894 -18.810 282 HE1 TRP 35 HE1 TRP 35 1.639 -5.776 -20.900 283 HE3 TRP 35 HE3 TRP 35 -1.586 -4.875 -16.735 284 HZ2 TRP 35 HZ2 TRP 35 -0.620 -4.248 -21.587 285 HZ3 TRP 35 HZ3 TRP 35 -3.120 -3.599 -18.180 286 HH2 TRP 35 HH2 TRP 35 -2.645 -3.292 -20.563 287 H ARG 36 H ARG 36 3.021 -4.692 -13.722 288 HA ARG 36 HA ARG 36 2.278 -6.726 -11.712 289 HB2 ARG 36 2HB ARG 36 4.128 -6.020 -10.280 290 HB3 ARG 36 1HB ARG 36 4.706 -6.618 -11.829 291 HG2 ARG 36 2HG ARG 36 5.050 -4.245 -12.562 292 HG3 ARG 36 1HG ARG 36 4.590 -3.719 -10.938 293 HD2 ARG 36 2HD ARG 36 6.438 -5.133 -10.009 294 HD3 ARG 36 1HD ARG 36 6.937 -5.506 -11.663 295 HE ARG 36 HE ARG 36 6.887 -2.708 -11.345 296 HH11 ARG 36 1HH1 ARG 36 8.743 -5.517 -10.324 297 HH12 ARG 36 2HH1 ARG 36 10.168 -4.593 -9.971 298 HH21 ARG 36 1HH2 ARG 36 8.785 -1.522 -10.882 299 HH22 ARG 36 2HH2 ARG 36 10.186 -2.341 -10.272 300 H VAL 37 H VAL 37 0.958 -6.087 -10.171 301 HA VAL 37 HA VAL 37 -0.134 -3.361 -10.283 302 HB VAL 37 HB VAL 37 -1.313 -5.895 -9.058 303 HG11 VAL 37 1HG1 VAL 37 -2.576 -3.153 -9.399 304 HG12 VAL 37 2HG1 VAL 37 -2.124 -3.905 -7.868 305 HG13 VAL 37 3HG1 VAL 37 -3.418 -4.603 -8.846 306 HG21 VAL 37 1HG2 VAL 37 -1.229 -6.008 -11.515 307 HG22 VAL 37 2HG2 VAL 37 -2.046 -4.449 -11.632 308 HG23 VAL 37 3HG2 VAL 37 -2.897 -5.843 -10.959 309 H THR 38 H THR 38 0.550 -1.981 -8.797 310 HA THR 38 HA THR 38 1.453 -2.773 -6.143 311 HB THR 38 HB THR 38 1.109 0.026 -7.314 312 HG1 THR 38 HG1 THR 38 2.648 -1.521 -8.362 313 HG21 THR 38 1HG2 THR 38 2.683 0.733 -5.545 314 HG22 THR 38 2HG2 THR 38 2.737 -0.915 -4.921 315 HG23 THR 38 3HG2 THR 38 1.236 0.010 -4.836 316 H TRP 39 H TRP 39 -0.268 -3.411 -4.879 317 HA TRP 39 HA TRP 39 -2.741 -1.832 -4.838 318 HB2 TRP 39 2HB TRP 39 -3.507 -3.621 -3.173 319 HB3 TRP 39 1HB TRP 39 -3.217 -4.158 -4.818 320 HD1 TRP 39 HD1 TRP 39 -1.407 -6.028 -5.193 321 HE1 TRP 39 HE1 TRP 39 0.002 -7.484 -3.620 322 HE3 TRP 39 HE3 TRP 39 -2.203 -3.541 -0.778 323 HZ2 TRP 39 HZ2 TRP 39 0.689 -7.594 -0.902 324 HZ3 TRP 39 HZ3 TRP 39 -1.121 -4.388 1.263 325 HH2 TRP 39 HH2 TRP 39 0.298 -6.379 1.201 326 H ASP 40 H ASP 40 -3.493 -0.750 -3.070 327 HA ASP 40 HA ASP 40 -1.642 0.246 -1.098 328 HB2 ASP 40 2HB ASP 40 -3.312 1.765 -1.986 329 HB3 ASP 40 1HB ASP 40 -4.614 0.659 -1.580 Start of MODEL 12 1 HA THR 1 HA THR 1 5.482 -6.712 -0.550 2 HB THR 1 HB THR 1 6.685 -8.570 -1.605 3 HG1 THR 1 HG1 THR 1 7.037 -6.786 -2.779 4 HG21 THR 1 1HG2 THR 1 4.781 -10.094 -2.092 5 HG22 THR 1 2HG2 THR 1 5.763 -9.812 -3.533 6 HG23 THR 1 3HG2 THR 1 4.219 -8.979 -3.342 7 H GLN 2 H GLN 2 4.634 -5.039 -1.781 8 HA GLN 2 HA GLN 2 1.854 -5.097 -2.573 9 HB2 GLN 2 2HB GLN 2 2.257 -2.747 -3.324 10 HB3 GLN 2 1HB GLN 2 2.738 -3.014 -1.651 11 HG2 GLN 2 2HG GLN 2 5.088 -3.081 -2.289 12 HG3 GLN 2 1HG GLN 2 4.667 -2.971 -3.997 13 HE21 GLN 2 1HE2 GLN 2 6.361 -1.210 -2.377 14 HE22 GLN 2 2HE2 GLN 2 5.685 0.371 -2.531 15 H THR 3 H THR 3 4.961 -5.537 -4.105 16 HA THR 3 HA THR 3 4.014 -5.031 -6.818 17 HB THR 3 HB THR 3 6.442 -5.491 -7.408 18 HG1 THR 3 HG1 THR 3 6.648 -6.747 -5.263 19 HG21 THR 3 1HG2 THR 3 5.686 -3.168 -6.985 20 HG22 THR 3 2HG2 THR 3 7.342 -3.405 -6.429 21 HG23 THR 3 3HG2 THR 3 6.024 -3.373 -5.259 22 H GLN 4 H GLN 4 2.853 -6.672 -7.711 23 HA GLN 4 HA GLN 4 4.030 -9.399 -7.749 24 HB2 GLN 4 2HB GLN 4 1.072 -8.638 -7.811 25 HB3 GLN 4 1HB GLN 4 1.704 -10.270 -8.024 26 HG2 GLN 4 2HG GLN 4 2.685 -10.079 -5.688 27 HG3 GLN 4 1HG GLN 4 1.789 -8.568 -5.516 28 HE21 GLN 4 1HE2 GLN 4 1.514 -12.040 -5.848 29 HE22 GLN 4 2HE2 GLN 4 -0.125 -12.169 -5.320 30 H GLU 5 H GLU 5 5.013 -9.516 -9.723 31 HA GLU 5 HA GLU 5 3.697 -8.323 -12.066 32 HB2 GLU 5 2HB GLU 5 5.894 -8.822 -13.252 33 HB3 GLU 5 1HB GLU 5 5.892 -7.583 -12.012 34 HG2 GLU 5 2HG GLU 5 6.866 -9.344 -10.432 35 HG3 GLU 5 1HG GLU 5 7.103 -10.345 -11.865 36 H PHE 6 H PHE 6 2.253 -9.526 -12.861 37 HA PHE 6 HA PHE 6 2.289 -12.401 -12.908 38 HB2 PHE 6 2HB PHE 6 0.351 -10.360 -14.096 39 HB3 PHE 6 1HB PHE 6 0.076 -12.096 -14.060 40 HD1 PHE 6 HD1 PHE 6 0.031 -9.019 -12.082 41 HD2 PHE 6 HD2 PHE 6 -0.341 -13.273 -11.894 42 HE1 PHE 6 HE1 PHE 6 -0.971 -8.835 -9.847 43 HE2 PHE 6 HE2 PHE 6 -1.348 -13.076 -9.658 44 HZ PHE 6 HZ PHE 6 -1.664 -10.860 -8.629 45 H ASP 7 H ASP 7 2.042 -13.669 -14.871 46 HA ASP 7 HA ASP 7 4.157 -13.079 -16.726 47 HB2 ASP 7 2HB ASP 7 2.237 -15.437 -16.577 48 HB3 ASP 7 1HB ASP 7 3.675 -15.376 -17.587 49 H ASN 8 H ASN 8 1.256 -11.787 -16.845 50 HA ASN 8 HA ASN 8 0.021 -10.679 -18.344 51 HB2 ASN 8 2HB ASN 8 2.230 -10.239 -19.476 52 HB3 ASN 8 1HB ASN 8 1.980 -11.650 -20.482 53 HD21 ASN 8 1HD2 ASN 8 0.582 -11.495 -22.240 54 HD22 ASN 8 2HD2 ASN 8 -0.137 -10.009 -22.741 55 H GLU 9 H GLU 9 -0.360 -13.486 -17.626 56 HA GLU 9 HA GLU 9 -1.897 -14.699 -19.791 57 HB2 GLU 9 2HB GLU 9 -1.744 -15.532 -16.852 58 HB3 GLU 9 1HB GLU 9 -2.272 -16.524 -18.212 59 HG2 GLU 9 2HG GLU 9 0.539 -15.542 -17.634 60 HG3 GLU 9 1HG GLU 9 -0.052 -17.197 -17.491 61 H GLU 10 H GLU 10 -2.640 -12.027 -18.774 62 HA GLU 10 HA GLU 10 -4.371 -10.705 -18.292 63 HB2 GLU 10 2HB GLU 10 -5.521 -12.267 -19.951 64 HB3 GLU 10 1HB GLU 10 -6.166 -13.165 -18.578 65 HG2 GLU 10 2HG GLU 10 -7.331 -11.082 -17.825 66 HG3 GLU 10 1HG GLU 10 -6.737 -10.258 -19.269 67 H GLU 11 H GLU 11 -3.133 -12.689 -16.111 68 HA GLU 11 HA GLU 11 -5.170 -12.646 -14.041 69 HB2 GLU 11 2HB GLU 11 -2.199 -13.240 -13.738 70 HB3 GLU 11 1HB GLU 11 -3.465 -13.592 -12.556 71 HG2 GLU 11 2HG GLU 11 -3.038 -14.885 -15.271 72 HG3 GLU 11 1HG GLU 11 -2.893 -15.637 -13.685 73 H ALA 12 H ALA 12 -2.767 -10.473 -15.167 74 HA ALA 12 HA ALA 12 -2.572 -8.787 -12.845 75 HB1 ALA 12 1HB ALA 12 -1.530 -7.167 -14.402 76 HB2 ALA 12 2HB ALA 12 -1.999 -8.180 -15.770 77 HB3 ALA 12 3HB ALA 12 -0.828 -8.777 -14.592 78 H ARG 13 H ARG 13 -4.744 -9.200 -15.518 79 HA ARG 13 HA ARG 13 -6.046 -6.605 -15.298 80 HB2 ARG 13 2HB ARG 13 -6.560 -9.011 -17.101 81 HB3 ARG 13 1HB ARG 13 -7.539 -7.552 -17.132 82 HG2 ARG 13 2HG ARG 13 -5.968 -7.478 -18.954 83 HG3 ARG 13 1HG ARG 13 -5.550 -6.228 -17.786 84 HD2 ARG 13 2HD ARG 13 -3.758 -7.713 -16.897 85 HD3 ARG 13 1HD ARG 13 -4.161 -8.903 -18.137 86 HE ARG 13 HE ARG 13 -3.328 -7.458 -19.797 87 HH11 ARG 13 1HH1 ARG 13 -2.809 -6.115 -16.574 88 HH12 ARG 13 2HH1 ARG 13 -1.649 -4.953 -17.124 89 HH21 ARG 13 1HH2 ARG 13 -1.824 -5.936 -20.495 90 HH22 ARG 13 2HH2 ARG 13 -1.087 -4.861 -19.352 91 H LYS 14 H LYS 14 -6.813 -10.046 -14.691 92 HA LYS 14 HA LYS 14 -9.450 -9.732 -13.720 93 HB2 LYS 14 2HB LYS 14 -7.370 -11.843 -13.019 94 HB3 LYS 14 1HB LYS 14 -9.080 -11.948 -12.585 95 HG2 LYS 14 2HG LYS 14 -9.662 -11.956 -15.005 96 HG3 LYS 14 1HG LYS 14 -7.937 -11.916 -15.403 97 HD2 LYS 14 2HD LYS 14 -7.632 -14.092 -14.225 98 HD3 LYS 14 1HD LYS 14 -9.359 -14.119 -13.845 99 HE2 LYS 14 2HE LYS 14 -8.902 -15.567 -15.754 100 HE3 LYS 14 1HE LYS 14 -9.867 -14.187 -16.290 101 HZ1 LYS 14 1HZ LYS 14 -7.851 -13.157 -17.136 102 HZ2 LYS 14 2HZ LYS 14 -8.071 -14.686 -17.812 103 HZ3 LYS 14 3HZ LYS 14 -6.919 -14.466 -16.594 104 H ALA 15 H ALA 15 -6.294 -9.699 -12.115 105 HA ALA 15 HA ALA 15 -7.082 -9.342 -9.444 106 HB1 ALA 15 1HB ALA 15 -4.576 -8.283 -10.806 107 HB2 ALA 15 2HB ALA 15 -4.754 -9.879 -10.080 108 HB3 ALA 15 3HB ALA 15 -4.810 -8.443 -9.056 109 H GLU 16 H GLU 16 -6.090 -6.866 -11.814 110 HA GLU 16 HA GLU 16 -6.538 -4.588 -10.243 111 HB2 GLU 16 2HB GLU 16 -5.165 -4.730 -12.345 112 HB3 GLU 16 1HB GLU 16 -6.650 -4.826 -13.287 113 HG2 GLU 16 2HG GLU 16 -7.279 -2.558 -12.470 114 HG3 GLU 16 1HG GLU 16 -5.762 -2.486 -11.576 115 H LYS 17 H LYS 17 -8.691 -6.385 -12.345 116 HA LYS 17 HA LYS 17 -10.854 -4.581 -12.594 117 HB2 LYS 17 2HB LYS 17 -10.609 -6.365 -14.174 118 HB3 LYS 17 1HB LYS 17 -10.545 -7.583 -12.909 119 HG2 LYS 17 2HG LYS 17 -12.951 -7.148 -12.415 120 HG3 LYS 17 1HG LYS 17 -12.997 -6.010 -13.768 121 HD2 LYS 17 2HD LYS 17 -12.579 -7.771 -15.368 122 HD3 LYS 17 1HD LYS 17 -12.174 -8.925 -14.093 123 HE2 LYS 17 2HE LYS 17 -14.924 -7.729 -14.589 124 HE3 LYS 17 1HE LYS 17 -14.414 -9.368 -15.005 125 HZ1 LYS 17 1HZ LYS 17 -14.012 -9.766 -12.632 126 HZ2 LYS 17 2HZ LYS 17 -15.625 -9.380 -12.951 127 HZ3 LYS 17 3HZ LYS 17 -14.602 -8.222 -12.274 128 H GLU 18 H GLU 18 -10.128 -7.113 -10.212 129 HA GLU 18 HA GLU 18 -12.776 -6.837 -8.961 130 HB2 GLU 18 2HB GLU 18 -10.520 -8.820 -8.455 131 HB3 GLU 18 1HB GLU 18 -12.083 -8.839 -7.632 132 HG2 GLU 18 2HG GLU 18 -13.203 -9.162 -9.813 133 HG3 GLU 18 1HG GLU 18 -11.630 -9.211 -10.606 134 H LEU 19 H LEU 19 -9.391 -6.105 -8.296 135 HA LEU 19 HA LEU 19 -9.775 -5.621 -5.470 136 HB2 LEU 19 2HB LEU 19 -7.386 -4.997 -7.243 137 HB3 LEU 19 1HB LEU 19 -7.403 -4.839 -5.491 138 HG LEU 19 HG LEU 19 -7.638 -7.438 -7.070 139 HD11 LEU 19 1HD1 LEU 19 -5.381 -6.529 -7.098 140 HD12 LEU 19 2HD1 LEU 19 -5.451 -7.993 -6.123 141 HD13 LEU 19 3HD1 LEU 19 -5.369 -6.413 -5.334 142 HD21 LEU 19 1HD2 LEU 19 -7.633 -7.073 -4.050 143 HD22 LEU 19 2HD2 LEU 19 -7.572 -8.613 -4.915 144 HD23 LEU 19 3HD2 LEU 19 -9.000 -7.593 -5.043 145 H ARG 20 H ARG 20 -10.141 -3.721 -8.366 146 HA ARG 20 HA ARG 20 -10.076 -1.147 -7.072 147 HB2 ARG 20 2HB ARG 20 -11.086 -0.262 -9.113 148 HB3 ARG 20 1HB ARG 20 -9.806 -1.394 -9.541 149 HG2 ARG 20 2HG ARG 20 -11.505 -3.124 -10.024 150 HG3 ARG 20 1HG ARG 20 -12.785 -1.988 -9.595 151 HD2 ARG 20 2HD ARG 20 -12.545 -2.129 -12.027 152 HD3 ARG 20 1HD ARG 20 -12.104 -0.517 -11.462 153 HE ARG 20 HE ARG 20 -9.805 -2.167 -11.660 154 HH11 ARG 20 1HH1 ARG 20 -12.030 -0.379 -13.703 155 HH12 ARG 20 2HH1 ARG 20 -10.878 -0.186 -14.983 156 HH21 ARG 20 1HH2 ARG 20 -8.315 -1.903 -13.353 157 HH22 ARG 20 2HH2 ARG 20 -8.784 -1.048 -14.782 158 H LYS 21 H LYS 21 -12.373 -3.723 -7.301 159 HA LYS 21 HA LYS 21 -14.712 -2.163 -6.606 160 HB2 LYS 21 2HB LYS 21 -14.165 -4.941 -7.502 161 HB3 LYS 21 1HB LYS 21 -15.394 -4.883 -6.250 162 HG2 LYS 21 2HG LYS 21 -15.510 -3.260 -8.816 163 HG3 LYS 21 1HG LYS 21 -16.295 -4.829 -8.590 164 HD2 LYS 21 2HD LYS 21 -16.872 -2.309 -6.950 165 HD3 LYS 21 1HD LYS 21 -17.877 -2.924 -8.267 166 HE2 LYS 21 2HE LYS 21 -18.306 -4.997 -6.949 167 HE3 LYS 21 1HE LYS 21 -17.301 -4.362 -5.644 168 HZ1 LYS 21 1HZ LYS 21 -19.789 -3.108 -6.647 169 HZ2 LYS 21 2HZ LYS 21 -18.851 -2.557 -5.353 170 HZ3 LYS 21 3HZ LYS 21 -19.655 -4.038 -5.246 171 H GLU 22 H GLU 22 -14.045 -1.205 -4.645 172 HA GLU 22 HA GLU 22 -14.281 -0.867 -2.426 173 HB2 GLU 22 2HB GLU 22 -15.654 -3.590 -2.451 174 HB3 GLU 22 1HB GLU 22 -15.684 -2.458 -1.099 175 HG2 GLU 22 2HG GLU 22 -16.854 -0.800 -2.511 176 HG3 GLU 22 1HG GLU 22 -16.819 -1.933 -3.862 177 H ASN 23 H ASN 23 -12.039 -2.777 -3.564 178 HA ASN 23 HA ASN 23 -11.061 -3.844 -0.977 179 HB2 ASN 23 2HB ASN 23 -11.395 -5.327 -3.164 180 HB3 ASN 23 1HB ASN 23 -9.909 -4.571 -3.711 181 HD21 ASN 23 1HD2 ASN 23 -11.336 -6.793 -1.469 182 HD22 ASN 23 2HD2 ASN 23 -9.871 -7.504 -0.901 183 H ARG 24 H ARG 24 -8.280 -3.889 -2.071 184 HA ARG 24 HA ARG 24 -7.509 -1.193 -1.292 185 HB2 ARG 24 2HB ARG 24 -5.821 -3.701 -1.818 186 HB3 ARG 24 1HB ARG 24 -5.277 -2.229 -1.000 187 HG2 ARG 24 2HG ARG 24 -6.787 -2.620 0.861 188 HG3 ARG 24 1HG ARG 24 -7.551 -3.976 0.027 189 HD2 ARG 24 2HD ARG 24 -6.083 -4.852 1.708 190 HD3 ARG 24 1HD ARG 24 -5.359 -5.199 0.137 191 HE ARG 24 HE ARG 24 -4.051 -3.013 0.661 192 HH11 ARG 24 1HH1 ARG 24 -4.882 -5.467 3.032 193 HH12 ARG 24 2HH1 ARG 24 -3.474 -5.169 3.993 194 HH21 ARG 24 1HH2 ARG 24 -2.202 -2.692 1.871 195 HH22 ARG 24 2HH2 ARG 24 -1.947 -3.586 3.338 196 H ARG 25 H ARG 25 -6.336 0.231 -2.655 197 HA ARG 25 HA ARG 25 -7.102 0.178 -5.375 198 HB2 ARG 25 2HB ARG 25 -5.999 2.298 -5.630 199 HB3 ARG 25 1HB ARG 25 -6.685 2.274 -4.012 200 HG2 ARG 25 2HG ARG 25 -4.440 1.798 -3.067 201 HG3 ARG 25 1HG ARG 25 -3.762 1.805 -4.697 202 HD2 ARG 25 2HD ARG 25 -3.315 3.940 -3.606 203 HD3 ARG 25 1HD ARG 25 -4.434 4.187 -4.952 204 HE ARG 25 HE ARG 25 -5.888 3.797 -2.550 205 HH11 ARG 25 1HH1 ARG 25 -3.910 6.243 -4.122 206 HH12 ARG 25 2HH1 ARG 25 -4.674 7.554 -3.286 207 HH21 ARG 25 1HH2 ARG 25 -6.865 5.522 -1.471 208 HH22 ARG 25 2HH2 ARG 25 -6.344 7.145 -1.776 209 H VAL 26 H VAL 26 -5.746 0.198 -7.292 210 HA VAL 26 HA VAL 26 -3.346 -1.547 -7.095 211 HB VAL 26 HB VAL 26 -4.264 -2.626 -9.300 212 HG11 VAL 26 1HG1 VAL 26 -5.684 -3.183 -6.655 213 HG12 VAL 26 2HG1 VAL 26 -4.119 -3.837 -7.148 214 HG13 VAL 26 3HG1 VAL 26 -5.578 -4.295 -8.025 215 HG21 VAL 26 1HG2 VAL 26 -6.753 -2.623 -9.547 216 HG22 VAL 26 2HG2 VAL 26 -6.095 -0.995 -9.733 217 HG23 VAL 26 3HG2 VAL 26 -6.885 -1.457 -8.224 218 H THR 27 H THR 27 -1.677 -0.983 -8.341 219 HA THR 27 HA THR 27 -1.984 0.934 -10.571 220 HB THR 27 HB THR 27 0.222 1.046 -8.454 221 HG1 THR 27 HG1 THR 27 -1.489 1.927 -7.454 222 HG21 THR 27 1HG2 THR 27 0.877 3.158 -9.546 223 HG22 THR 27 2HG2 THR 27 -0.388 2.949 -10.754 224 HG23 THR 27 3HG2 THR 27 0.971 1.821 -10.700 225 H VAL 28 H VAL 28 -1.414 -0.361 -12.313 226 HA VAL 28 HA VAL 28 0.621 -2.399 -12.117 227 HB VAL 28 HB VAL 28 -1.310 -2.705 -13.645 228 HG11 VAL 28 1HG1 VAL 28 -0.124 -0.484 -15.347 229 HG12 VAL 28 2HG1 VAL 28 -1.632 -0.397 -14.439 230 HG13 VAL 28 3HG1 VAL 28 -1.490 -1.509 -15.803 231 HG21 VAL 28 1HG2 VAL 28 1.372 -2.680 -15.085 232 HG22 VAL 28 2HG2 VAL 28 -0.050 -3.593 -15.600 233 HG23 VAL 28 3HG2 VAL 28 0.743 -3.984 -14.072 234 H THR 29 H THR 29 2.729 -1.888 -12.011 235 HA THR 29 HA THR 29 3.814 0.611 -12.929 236 HB THR 29 HB THR 29 6.042 -0.395 -12.243 237 HG1 THR 29 HG1 THR 29 5.300 -2.618 -12.590 238 HG21 THR 29 1HG2 THR 29 3.843 -0.513 -10.152 239 HG22 THR 29 2HG2 THR 29 4.748 0.929 -10.627 240 HG23 THR 29 3HG2 THR 29 5.570 -0.410 -9.822 241 H GLN 30 H GLN 30 3.348 0.647 -15.079 242 HA GLN 30 HA GLN 30 4.249 -1.479 -16.894 243 HB2 GLN 30 2HB GLN 30 2.786 -0.347 -18.550 244 HB3 GLN 30 1HB GLN 30 1.912 -0.762 -17.077 245 HG2 GLN 30 2HG GLN 30 2.068 1.584 -16.319 246 HG3 GLN 30 1HG GLN 30 2.938 2.014 -17.795 247 HE21 GLN 30 1HE2 GLN 30 1.797 2.040 -19.784 248 HE22 GLN 30 2HE2 GLN 30 0.070 2.111 -19.835 249 H GLU 31 H GLU 31 5.873 0.891 -15.596 250 HA GLU 31 HA GLU 31 6.779 2.538 -17.744 251 HB2 GLU 31 2HB GLU 31 6.850 3.202 -15.337 252 HB3 GLU 31 1HB GLU 31 8.081 1.980 -15.039 253 HG2 GLU 31 2HG GLU 31 9.029 4.244 -15.202 254 HG3 GLU 31 1HG GLU 31 9.663 3.173 -16.453 255 H ASN 32 H ASN 32 7.286 1.007 -19.372 256 HA ASN 32 HA ASN 32 8.506 -0.367 -20.689 257 HB2 ASN 32 2HB ASN 32 10.788 0.902 -19.128 258 HB3 ASN 32 1HB ASN 32 11.027 -0.092 -20.559 259 HD21 ASN 32 1HD2 ASN 32 9.868 2.970 -19.369 260 HD22 ASN 32 2HD2 ASN 32 9.762 3.755 -20.902 261 H GLY 33 H GLY 33 7.659 -1.503 -18.016 262 HA2 GLY 33 2HA GLY 33 9.572 -3.789 -17.817 263 HA3 GLY 33 1HA GLY 33 8.824 -3.021 -16.412 264 H ARG 34 H ARG 34 8.177 -5.266 -15.984 265 HA ARG 34 HA ARG 34 6.255 -6.600 -17.645 266 HB2 ARG 34 2HB ARG 34 7.346 -7.121 -14.863 267 HB3 ARG 34 1HB ARG 34 5.966 -8.039 -15.439 268 HG2 ARG 34 2HG ARG 34 8.065 -9.274 -15.730 269 HG3 ARG 34 1HG ARG 34 7.280 -8.961 -17.277 270 HD2 ARG 34 2HD ARG 34 9.716 -8.641 -17.430 271 HD3 ARG 34 1HD ARG 34 8.849 -7.133 -17.725 272 HE ARG 34 HE ARG 34 9.716 -7.462 -14.982 273 HH11 ARG 34 1HH1 ARG 34 10.656 -6.230 -18.158 274 HH12 ARG 34 2HH1 ARG 34 11.925 -5.238 -17.514 275 HH21 ARG 34 1HH2 ARG 34 11.376 -6.127 -14.201 276 HH22 ARG 34 2HH2 ARG 34 12.341 -5.193 -15.293 277 H TRP 35 H TRP 35 4.092 -7.196 -16.906 278 HA TRP 35 HA TRP 35 2.555 -4.897 -16.065 279 HB2 TRP 35 2HB TRP 35 1.659 -7.695 -16.879 280 HB3 TRP 35 1HB TRP 35 0.592 -6.303 -16.653 281 HD1 TRP 35 HD1 TRP 35 0.625 -4.412 -18.582 282 HE1 TRP 35 HE1 TRP 35 1.556 -4.375 -20.979 283 HE3 TRP 35 HE3 TRP 35 3.621 -8.561 -18.369 284 HZ2 TRP 35 HZ2 TRP 35 3.338 -5.871 -22.560 285 HZ3 TRP 35 HZ3 TRP 35 4.926 -9.181 -20.366 286 HH2 TRP 35 HH2 TRP 35 4.781 -7.857 -22.418 287 H ARG 36 H ARG 36 3.221 -4.601 -14.030 288 HA ARG 36 HA ARG 36 2.995 -6.758 -12.039 289 HB2 ARG 36 2HB ARG 36 5.256 -5.894 -12.424 290 HB3 ARG 36 1HB ARG 36 4.721 -4.252 -12.108 291 HG2 ARG 36 2HG ARG 36 4.408 -4.712 -9.765 292 HG3 ARG 36 1HG ARG 36 4.596 -6.449 -10.019 293 HD2 ARG 36 2HD ARG 36 6.630 -5.426 -9.035 294 HD3 ARG 36 1HD ARG 36 6.945 -6.165 -10.610 295 HE ARG 36 HE ARG 36 6.436 -3.265 -10.397 296 HH11 ARG 36 1HH1 ARG 36 8.699 -5.852 -11.196 297 HH12 ARG 36 2HH1 ARG 36 9.792 -4.774 -12.005 298 HH21 ARG 36 1HH2 ARG 36 7.855 -1.909 -11.492 299 HH22 ARG 36 2HH2 ARG 36 9.325 -2.543 -12.153 300 H VAL 37 H VAL 37 0.989 -6.594 -11.194 301 HA VAL 37 HA VAL 37 -0.323 -4.142 -10.533 302 HB VAL 37 HB VAL 37 -0.852 -6.967 -9.504 303 HG11 VAL 37 1HG1 VAL 37 -2.618 -4.486 -9.269 304 HG12 VAL 37 2HG1 VAL 37 -1.797 -5.303 -7.934 305 HG13 VAL 37 3HG1 VAL 37 -3.089 -6.126 -8.812 306 HG21 VAL 37 1HG2 VAL 37 -1.133 -6.783 -11.940 307 HG22 VAL 37 2HG2 VAL 37 -2.202 -5.392 -11.733 308 HG23 VAL 37 3HG2 VAL 37 -2.702 -6.984 -11.156 309 H THR 38 H THR 38 1.063 -2.924 -9.402 310 HA THR 38 HA THR 38 2.050 -3.712 -6.759 311 HB THR 38 HB THR 38 2.372 -1.128 -8.370 312 HG1 THR 38 HG1 THR 38 3.475 -2.808 -9.347 313 HG21 THR 38 1HG2 THR 38 2.630 -0.677 -5.952 314 HG22 THR 38 2HG2 THR 38 4.181 -0.550 -6.780 315 HG23 THR 38 3HG2 THR 38 3.809 -1.984 -5.819 316 H TRP 39 H TRP 39 0.456 -3.685 -5.276 317 HA TRP 39 HA TRP 39 -1.778 -1.759 -5.556 318 HB2 TRP 39 2HB TRP 39 -3.069 -3.513 -4.182 319 HB3 TRP 39 1HB TRP 39 -2.678 -3.918 -5.847 320 HD1 TRP 39 HD1 TRP 39 -0.828 -5.857 -6.243 321 HE1 TRP 39 HE1 TRP 39 -0.000 -7.758 -4.740 322 HE3 TRP 39 HE3 TRP 39 -2.630 -4.208 -1.761 323 HZ2 TRP 39 HZ2 TRP 39 -0.067 -8.477 -2.025 324 HZ3 TRP 39 HZ3 TRP 39 -2.212 -5.563 0.249 325 HH2 TRP 39 HH2 TRP 39 -0.959 -7.661 0.117 326 H ASP 40 H ASP 40 -3.005 -1.625 -3.351 327 HA ASP 40 HA ASP 40 -1.520 0.223 -1.831 328 HB2 ASP 40 2HB ASP 40 -3.874 0.558 -2.133 329 HB3 ASP 40 1HB ASP 40 -4.261 -1.023 -1.498 Start of MODEL 13 1 HA THR 1 HA THR 1 0.568 -2.032 -2.209 2 HB THR 1 HB THR 1 3.055 -1.530 -1.847 3 HG1 THR 1 HG1 THR 1 3.967 -2.162 -0.034 4 HG21 THR 1 1HG2 THR 1 1.381 0.268 -1.519 5 HG22 THR 1 2HG2 THR 1 2.701 0.413 -0.356 6 HG23 THR 1 3HG2 THR 1 1.147 -0.249 0.154 7 H GLN 2 H GLN 2 -0.152 -4.679 -2.051 8 HA GLN 2 HA GLN 2 2.072 -6.509 -2.257 9 HB2 GLN 2 2HB GLN 2 -0.799 -7.033 -3.150 10 HB3 GLN 2 1HB GLN 2 0.418 -8.225 -2.704 11 HG2 GLN 2 2HG GLN 2 -1.035 -6.300 -0.884 12 HG3 GLN 2 1HG GLN 2 -1.243 -8.046 -0.959 13 HE21 GLN 2 1HE2 GLN 2 0.494 -9.391 -0.179 14 HE22 GLN 2 2HE2 GLN 2 1.611 -8.784 0.991 15 H THR 3 H THR 3 3.393 -5.943 -3.979 16 HA THR 3 HA THR 3 2.293 -5.468 -6.633 17 HB THR 3 HB THR 3 4.233 -4.135 -5.916 18 HG1 THR 3 HG1 THR 3 4.182 -4.302 -8.074 19 HG21 THR 3 1HG2 THR 3 5.834 -6.726 -5.902 20 HG22 THR 3 2HG2 THR 3 5.441 -5.736 -4.493 21 HG23 THR 3 3HG2 THR 3 6.503 -5.097 -5.750 22 H GLN 4 H GLN 4 1.988 -6.994 -8.118 23 HA GLN 4 HA GLN 4 3.505 -9.509 -8.060 24 HB2 GLN 4 2HB GLN 4 1.322 -9.860 -6.833 25 HB3 GLN 4 1HB GLN 4 0.461 -9.429 -8.309 26 HG2 GLN 4 2HG GLN 4 1.445 -11.366 -9.470 27 HG3 GLN 4 1HG GLN 4 2.369 -11.777 -8.021 28 HE21 GLN 4 1HE2 GLN 4 1.391 -13.838 -7.939 29 HE22 GLN 4 2HE2 GLN 4 -0.246 -14.055 -7.428 30 H GLU 5 H GLU 5 3.974 -10.239 -10.060 31 HA GLU 5 HA GLU 5 3.395 -8.392 -12.298 32 HB2 GLU 5 2HB GLU 5 5.641 -9.190 -13.166 33 HB3 GLU 5 1HB GLU 5 5.703 -8.292 -11.651 34 HG2 GLU 5 2HG GLU 5 5.723 -10.566 -10.465 35 HG3 GLU 5 1HG GLU 5 6.012 -11.276 -12.056 36 H PHE 6 H PHE 6 2.620 -9.149 -14.173 37 HA PHE 6 HA PHE 6 2.580 -12.040 -14.760 38 HB2 PHE 6 2HB PHE 6 0.242 -10.099 -15.135 39 HB3 PHE 6 1HB PHE 6 0.268 -11.766 -15.706 40 HD1 PHE 6 HD1 PHE 6 -0.309 -9.587 -12.822 41 HD2 PHE 6 HD2 PHE 6 0.299 -13.647 -14.034 42 HE1 PHE 6 HE1 PHE 6 -1.203 -10.370 -10.670 43 HE2 PHE 6 HE2 PHE 6 -0.608 -14.412 -11.880 44 HZ PHE 6 HZ PHE 6 -1.360 -12.781 -10.202 45 H ASP 7 H ASP 7 4.122 -11.997 -16.360 46 HA ASP 7 HA ASP 7 4.303 -9.833 -18.279 47 HB2 ASP 7 2HB ASP 7 6.185 -11.119 -19.265 48 HB3 ASP 7 1HB ASP 7 6.390 -10.863 -17.542 49 H ASN 8 H ASN 8 2.364 -9.793 -19.316 50 HA ASN 8 HA ASN 8 1.083 -10.013 -21.163 51 HB2 ASN 8 2HB ASN 8 3.087 -10.848 -22.382 52 HB3 ASN 8 1HB ASN 8 2.726 -12.487 -21.870 53 HD21 ASN 8 1HD2 ASN 8 1.724 -9.834 -23.934 54 HD22 ASN 8 2HD2 ASN 8 0.710 -10.775 -24.971 55 H GLU 9 H GLU 9 1.257 -12.396 -18.738 56 HA GLU 9 HA GLU 9 -0.556 -14.355 -19.729 57 HB2 GLU 9 2HB GLU 9 0.302 -13.825 -16.846 58 HB3 GLU 9 1HB GLU 9 -0.467 -15.297 -17.443 59 HG2 GLU 9 2HG GLU 9 2.303 -14.264 -18.169 60 HG3 GLU 9 1HG GLU 9 1.925 -15.663 -17.161 61 H GLU 10 H GLU 10 -1.050 -11.325 -18.155 62 HA GLU 10 HA GLU 10 -2.840 -9.995 -18.003 63 HB2 GLU 10 2HB GLU 10 -3.197 -10.899 -20.339 64 HB3 GLU 10 1HB GLU 10 -4.320 -12.075 -19.663 65 HG2 GLU 10 2HG GLU 10 -5.837 -10.305 -18.975 66 HG3 GLU 10 1HG GLU 10 -4.671 -9.068 -19.458 67 H GLU 11 H GLU 11 -2.581 -12.583 -16.191 68 HA GLU 11 HA GLU 11 -5.200 -12.947 -15.053 69 HB2 GLU 11 2HB GLU 11 -2.486 -13.556 -13.815 70 HB3 GLU 11 1HB GLU 11 -4.046 -14.192 -13.282 71 HG2 GLU 11 2HG GLU 11 -4.298 -15.412 -15.384 72 HG3 GLU 11 1HG GLU 11 -2.787 -14.729 -15.993 73 H ALA 12 H ALA 12 -2.834 -10.529 -14.813 74 HA ALA 12 HA ALA 12 -3.273 -9.340 -12.339 75 HB1 ALA 12 1HB ALA 12 -1.524 -8.613 -13.910 76 HB2 ALA 12 2HB ALA 12 -2.530 -7.255 -13.407 77 HB3 ALA 12 3HB ALA 12 -2.753 -7.981 -15.002 78 H ARG 13 H ARG 13 -5.096 -9.050 -15.379 79 HA ARG 13 HA ARG 13 -6.862 -6.978 -14.670 80 HB2 ARG 13 2HB ARG 13 -7.125 -9.223 -16.709 81 HB3 ARG 13 1HB ARG 13 -8.296 -7.911 -16.572 82 HG2 ARG 13 2HG ARG 13 -5.336 -7.545 -17.196 83 HG3 ARG 13 1HG ARG 13 -6.639 -7.539 -18.391 84 HD2 ARG 13 2HD ARG 13 -7.609 -5.556 -17.418 85 HD3 ARG 13 1HD ARG 13 -6.498 -5.615 -16.049 86 HE ARG 13 HE ARG 13 -5.213 -5.340 -18.629 87 HH11 ARG 13 1HH1 ARG 13 -6.539 -3.634 -15.853 88 HH12 ARG 13 2HH1 ARG 13 -5.719 -2.152 -16.241 89 HH21 ARG 13 1HH2 ARG 13 -4.133 -3.393 -19.096 90 HH22 ARG 13 2HH2 ARG 13 -4.363 -2.014 -18.072 91 H LYS 14 H LYS 14 -6.957 -10.382 -13.929 92 HA LYS 14 HA LYS 14 -9.676 -10.663 -13.157 93 HB2 LYS 14 2HB LYS 14 -8.162 -12.566 -13.647 94 HB3 LYS 14 1HB LYS 14 -7.170 -12.156 -12.254 95 HG2 LYS 14 2HG LYS 14 -9.190 -12.646 -10.799 96 HG3 LYS 14 1HG LYS 14 -10.000 -13.256 -12.250 97 HD2 LYS 14 2HD LYS 14 -8.162 -14.921 -12.544 98 HD3 LYS 14 1HD LYS 14 -7.398 -14.322 -11.068 99 HE2 LYS 14 2HE LYS 14 -8.601 -16.338 -10.527 100 HE3 LYS 14 1HE LYS 14 -9.482 -14.988 -9.813 101 HZ1 LYS 14 1HZ LYS 14 -11.041 -15.065 -11.634 102 HZ2 LYS 14 2HZ LYS 14 -10.937 -16.590 -10.909 103 HZ3 LYS 14 3HZ LYS 14 -10.168 -16.302 -12.385 104 H ALA 15 H ALA 15 -6.705 -10.158 -11.217 105 HA ALA 15 HA ALA 15 -8.067 -9.907 -8.688 106 HB1 ALA 15 1HB ALA 15 -5.796 -10.865 -8.850 107 HB2 ALA 15 2HB ALA 15 -5.816 -9.463 -7.775 108 HB3 ALA 15 3HB ALA 15 -5.175 -9.317 -9.416 109 H GLU 16 H GLU 16 -6.627 -7.697 -10.985 110 HA GLU 16 HA GLU 16 -6.549 -5.328 -9.468 111 HB2 GLU 16 2HB GLU 16 -5.079 -5.483 -11.317 112 HB3 GLU 16 1HB GLU 16 -6.346 -5.988 -12.416 113 HG2 GLU 16 2HG GLU 16 -6.500 -3.206 -11.314 114 HG3 GLU 16 1HG GLU 16 -5.235 -3.542 -12.493 115 H LYS 17 H LYS 17 -8.883 -6.438 -11.954 116 HA LYS 17 HA LYS 17 -10.768 -4.348 -11.716 117 HB2 LYS 17 2HB LYS 17 -10.744 -5.990 -13.589 118 HB3 LYS 17 1HB LYS 17 -11.226 -7.263 -12.473 119 HG2 LYS 17 2HG LYS 17 -13.362 -5.893 -12.050 120 HG3 LYS 17 1HG LYS 17 -12.875 -4.895 -13.421 121 HD2 LYS 17 2HD LYS 17 -14.489 -6.590 -14.151 122 HD3 LYS 17 1HD LYS 17 -12.915 -6.915 -14.885 123 HE2 LYS 17 2HE LYS 17 -12.482 -8.683 -13.243 124 HE3 LYS 17 1HE LYS 17 -13.988 -8.309 -12.402 125 HZ1 LYS 17 1HZ LYS 17 -13.756 -9.331 -15.170 126 HZ2 LYS 17 2HZ LYS 17 -15.202 -8.968 -14.370 127 HZ3 LYS 17 3HZ LYS 17 -14.221 -10.225 -13.814 128 H GLU 18 H GLU 18 -10.452 -7.438 -10.010 129 HA GLU 18 HA GLU 18 -12.879 -7.539 -8.604 130 HB2 GLU 18 2HB GLU 18 -11.325 -9.464 -8.843 131 HB3 GLU 18 1HB GLU 18 -10.149 -8.658 -7.813 132 HG2 GLU 18 2HG GLU 18 -11.805 -8.788 -5.921 133 HG3 GLU 18 1HG GLU 18 -12.881 -9.702 -6.973 134 H LEU 19 H LEU 19 -9.750 -6.109 -7.687 135 HA LEU 19 HA LEU 19 -10.653 -5.443 -5.001 136 HB2 LEU 19 2HB LEU 19 -7.998 -4.983 -6.386 137 HB3 LEU 19 1HB LEU 19 -8.313 -4.638 -4.689 138 HG LEU 19 HG LEU 19 -8.351 -7.392 -6.005 139 HD11 LEU 19 1HD1 LEU 19 -6.382 -7.868 -4.631 140 HD12 LEU 19 2HD1 LEU 19 -6.387 -6.208 -4.028 141 HD13 LEU 19 3HD1 LEU 19 -6.100 -6.527 -5.741 142 HD21 LEU 19 1HD2 LEU 19 -10.047 -7.311 -4.241 143 HD22 LEU 19 2HD2 LEU 19 -8.859 -6.698 -3.087 144 HD23 LEU 19 3HD2 LEU 19 -8.691 -8.326 -3.751 145 H ARG 20 H ARG 20 -10.763 -3.878 -8.026 146 HA ARG 20 HA ARG 20 -10.821 -1.158 -7.092 147 HB2 ARG 20 2HB ARG 20 -11.958 -2.495 -9.572 148 HB3 ARG 20 1HB ARG 20 -12.125 -0.764 -9.279 149 HG2 ARG 20 2HG ARG 20 -9.802 -0.382 -9.470 150 HG3 ARG 20 1HG ARG 20 -9.413 -2.090 -9.270 151 HD2 ARG 20 2HD ARG 20 -9.071 -1.462 -11.569 152 HD3 ARG 20 1HD ARG 20 -10.438 -2.570 -11.468 153 HE ARG 20 HE ARG 20 -11.367 0.096 -11.423 154 HH11 ARG 20 1HH1 ARG 20 -9.969 -2.247 -13.650 155 HH12 ARG 20 2HH1 ARG 20 -10.678 -1.496 -15.046 156 HH21 ARG 20 1HH2 ARG 20 -12.252 1.054 -13.266 157 HH22 ARG 20 2HH2 ARG 20 -11.946 0.371 -14.830 158 H LYS 21 H LYS 21 -13.121 -3.786 -7.152 159 HA LYS 21 HA LYS 21 -15.430 -2.256 -6.361 160 HB2 LYS 21 2HB LYS 21 -15.572 -4.474 -7.520 161 HB3 LYS 21 1HB LYS 21 -14.870 -5.253 -6.104 162 HG2 LYS 21 2HG LYS 21 -16.828 -4.521 -4.759 163 HG3 LYS 21 1HG LYS 21 -17.534 -3.791 -6.204 164 HD2 LYS 21 2HD LYS 21 -17.663 -6.024 -7.269 165 HD3 LYS 21 1HD LYS 21 -16.908 -6.751 -5.845 166 HE2 LYS 21 2HE LYS 21 -19.591 -5.321 -5.876 167 HE3 LYS 21 1HE LYS 21 -19.362 -7.071 -5.848 168 HZ1 LYS 21 1HZ LYS 21 -18.497 -5.170 -3.732 169 HZ2 LYS 21 2HZ LYS 21 -18.252 -6.843 -3.709 170 HZ3 LYS 21 3HZ LYS 21 -19.818 -6.217 -3.650 171 H GLU 22 H GLU 22 -12.767 -3.854 -4.770 172 HA GLU 22 HA GLU 22 -13.766 -3.568 -2.054 173 HB2 GLU 22 2HB GLU 22 -12.278 -5.468 -2.814 174 HB3 GLU 22 1HB GLU 22 -10.971 -4.321 -3.046 175 HG2 GLU 22 2HG GLU 22 -10.719 -5.582 -0.956 176 HG3 GLU 22 1HG GLU 22 -10.897 -3.853 -0.660 177 H ASN 23 H ASN 23 -12.359 -2.360 -0.427 178 HA ASN 23 HA ASN 23 -12.126 0.406 -1.209 179 HB2 ASN 23 2HB ASN 23 -11.631 -0.964 1.475 180 HB3 ASN 23 1HB ASN 23 -11.654 0.782 1.228 181 HD21 ASN 23 1HD2 ASN 23 -13.582 -2.121 1.358 182 HD22 ASN 23 2HD2 ASN 23 -15.118 -1.344 1.472 183 H ARG 24 H ARG 24 -9.931 -1.890 -1.796 184 HA ARG 24 HA ARG 24 -7.548 -0.327 -0.995 185 HB2 ARG 24 2HB ARG 24 -6.281 -2.437 -1.271 186 HB3 ARG 24 1HB ARG 24 -7.571 -2.593 -0.082 187 HG2 ARG 24 2HG ARG 24 -8.962 -3.747 -1.837 188 HG3 ARG 24 1HG ARG 24 -7.569 -3.687 -2.921 189 HD2 ARG 24 2HD ARG 24 -7.669 -5.878 -1.889 190 HD3 ARG 24 1HD ARG 24 -6.264 -5.011 -1.257 191 HE ARG 24 HE ARG 24 -8.529 -4.653 0.435 192 HH11 ARG 24 1HH1 ARG 24 -6.037 -7.011 -0.326 193 HH12 ARG 24 2HH1 ARG 24 -6.189 -7.811 1.202 194 HH21 ARG 24 1HH2 ARG 24 -8.693 -5.729 2.410 195 HH22 ARG 24 2HH2 ARG 24 -7.696 -7.112 2.726 196 H ARG 25 H ARG 25 -6.454 0.704 -2.564 197 HA ARG 25 HA ARG 25 -7.530 0.677 -5.251 198 HB2 ARG 25 2HB ARG 25 -7.007 2.813 -4.086 199 HB3 ARG 25 1HB ARG 25 -5.296 2.394 -4.088 200 HG2 ARG 25 2HG ARG 25 -5.249 2.473 -6.545 201 HG3 ARG 25 1HG ARG 25 -6.986 2.790 -6.587 202 HD2 ARG 25 2HD ARG 25 -6.629 4.932 -5.424 203 HD3 ARG 25 1HD ARG 25 -4.892 4.608 -5.352 204 HE ARG 25 HE ARG 25 -5.876 4.519 -8.039 205 HH11 ARG 25 1HH1 ARG 25 -4.934 6.813 -5.533 206 HH12 ARG 25 2HH1 ARG 25 -4.504 8.041 -6.679 207 HH21 ARG 25 1HH2 ARG 25 -5.303 6.136 -9.501 208 HH22 ARG 25 2HH2 ARG 25 -4.721 7.664 -8.919 209 H VAL 26 H VAL 26 -6.598 -0.015 -7.064 210 HA VAL 26 HA VAL 26 -4.090 -1.564 -6.957 211 HB VAL 26 HB VAL 26 -4.850 -2.603 -9.074 212 HG11 VAL 26 1HG1 VAL 26 -6.797 -3.866 -8.198 213 HG12 VAL 26 2HG1 VAL 26 -7.012 -2.663 -6.926 214 HG13 VAL 26 3HG1 VAL 26 -5.556 -3.656 -6.962 215 HG21 VAL 26 1HG2 VAL 26 -6.072 -0.694 -10.058 216 HG22 VAL 26 2HG2 VAL 26 -7.327 -0.840 -8.827 217 HG23 VAL 26 3HG2 VAL 26 -7.103 -2.128 -10.013 218 H THR 27 H THR 27 -2.433 -1.174 -8.409 219 HA THR 27 HA THR 27 -2.517 1.192 -10.163 220 HB THR 27 HB THR 27 -0.289 0.587 -8.160 221 HG1 THR 27 HG1 THR 27 -2.524 1.862 -7.771 222 HG21 THR 27 1HG2 THR 27 0.634 1.538 -10.261 223 HG22 THR 27 2HG2 THR 27 0.758 2.690 -8.930 224 HG23 THR 27 3HG2 THR 27 -0.503 2.888 -10.146 225 H VAL 28 H VAL 28 -2.299 0.203 -12.143 226 HA VAL 28 HA VAL 28 -0.538 -2.012 -12.638 227 HB VAL 28 HB VAL 28 -2.461 -1.761 -14.085 228 HG11 VAL 28 1HG1 VAL 28 -1.349 0.906 -15.030 229 HG12 VAL 28 2HG1 VAL 28 -2.785 0.670 -14.034 230 HG13 VAL 28 3HG1 VAL 28 -2.765 0.087 -15.698 231 HG21 VAL 28 1HG2 VAL 28 -1.400 -1.971 -16.320 232 HG22 VAL 28 2HG2 VAL 28 -0.477 -2.829 -15.084 233 HG23 VAL 28 3HG2 VAL 28 0.087 -1.266 -15.678 234 H THR 29 H THR 29 1.541 -1.740 -12.277 235 HA THR 29 HA THR 29 2.921 0.799 -12.787 236 HB THR 29 HB THR 29 4.002 -1.688 -11.371 237 HG1 THR 29 HG1 THR 29 2.035 -0.070 -10.564 238 HG21 THR 29 1HG2 THR 29 5.737 -0.041 -12.014 239 HG22 THR 29 2HG2 THR 29 5.529 -0.098 -10.264 240 HG23 THR 29 3HG2 THR 29 4.838 1.238 -11.188 241 H GLN 30 H GLN 30 2.635 0.360 -15.142 242 HA GLN 30 HA GLN 30 4.034 -1.781 -16.440 243 HB2 GLN 30 2HB GLN 30 2.081 -0.684 -17.476 244 HB3 GLN 30 1HB GLN 30 2.948 0.848 -17.554 245 HG2 GLN 30 2HG GLN 30 4.569 -0.174 -19.139 246 HG3 GLN 30 1HG GLN 30 3.657 -1.684 -19.080 247 HE21 GLN 30 1HE2 GLN 30 4.241 0.081 -21.353 248 HE22 GLN 30 2HE2 GLN 30 2.714 0.520 -22.029 249 H GLU 31 H GLU 31 6.229 -1.886 -16.119 250 HA GLU 31 HA GLU 31 7.941 0.328 -17.014 251 HB2 GLU 31 2HB GLU 31 9.359 0.221 -14.976 252 HB3 GLU 31 1HB GLU 31 7.726 0.762 -14.594 253 HG2 GLU 31 2HG GLU 31 7.144 -1.367 -13.635 254 HG3 GLU 31 1HG GLU 31 8.608 -2.121 -14.263 255 H ASN 32 H ASN 32 9.917 -0.350 -17.789 256 HA ASN 32 HA ASN 32 11.632 -1.625 -18.550 257 HB2 ASN 32 2HB ASN 32 10.871 -3.384 -16.168 258 HB3 ASN 32 1HB ASN 32 12.312 -3.639 -17.153 259 HD21 ASN 32 1HD2 ASN 32 10.794 -1.561 -14.784 260 HD22 ASN 32 2HD2 ASN 32 12.212 -0.670 -14.363 261 H GLY 33 H GLY 33 8.670 -2.332 -19.280 262 HA2 GLY 33 2HA GLY 33 7.752 -3.734 -20.899 263 HA3 GLY 33 1HA GLY 33 9.170 -4.766 -20.820 264 H ARG 34 H ARG 34 8.973 -4.844 -17.819 265 HA ARG 34 HA ARG 34 7.460 -7.247 -17.570 266 HB2 ARG 34 2HB ARG 34 9.607 -6.636 -16.283 267 HB3 ARG 34 1HB ARG 34 8.628 -5.558 -15.301 268 HG2 ARG 34 2HG ARG 34 8.959 -7.629 -14.099 269 HG3 ARG 34 1HG ARG 34 7.256 -7.531 -14.566 270 HD2 ARG 34 2HD ARG 34 7.686 -9.045 -16.464 271 HD3 ARG 34 1HD ARG 34 9.401 -9.102 -16.048 272 HE ARG 34 HE ARG 34 7.899 -9.942 -13.829 273 HH11 ARG 34 1HH1 ARG 34 8.770 -11.100 -17.033 274 HH12 ARG 34 2HH1 ARG 34 8.625 -12.767 -16.582 275 HH21 ARG 34 1HH2 ARG 34 7.743 -12.118 -13.264 276 HH22 ARG 34 2HH2 ARG 34 8.059 -13.343 -14.456 277 H TRP 35 H TRP 35 5.279 -7.017 -17.753 278 HA TRP 35 HA TRP 35 3.834 -4.709 -16.834 279 HB2 TRP 35 2HB TRP 35 3.240 -6.075 -18.896 280 HB3 TRP 35 1HB TRP 35 2.677 -7.353 -17.824 281 HD1 TRP 35 HD1 TRP 35 1.990 -3.516 -18.030 282 HE1 TRP 35 HE1 TRP 35 -0.538 -3.146 -17.854 283 HE3 TRP 35 HE3 TRP 35 0.463 -8.385 -17.583 284 HZ2 TRP 35 HZ2 TRP 35 -2.869 -4.675 -17.545 285 HZ3 TRP 35 HZ3 TRP 35 -1.942 -8.836 -17.343 286 HH2 TRP 35 HH2 TRP 35 -3.579 -7.021 -17.330 287 H ARG 36 H ARG 36 4.157 -4.600 -14.650 288 HA ARG 36 HA ARG 36 3.112 -6.753 -12.905 289 HB2 ARG 36 2HB ARG 36 4.504 -5.687 -11.103 290 HB3 ARG 36 1HB ARG 36 5.467 -6.250 -12.465 291 HG2 ARG 36 2HG ARG 36 5.504 -3.901 -13.337 292 HG3 ARG 36 1HG ARG 36 4.679 -3.388 -11.866 293 HD2 ARG 36 2HD ARG 36 7.415 -4.706 -11.973 294 HD3 ARG 36 1HD ARG 36 7.120 -2.971 -11.800 295 HE ARG 36 HE ARG 36 6.132 -4.921 -9.801 296 HH11 ARG 36 1HH1 ARG 36 7.960 -2.003 -10.512 297 HH12 ARG 36 2HH1 ARG 36 8.333 -1.704 -8.848 298 HH21 ARG 36 1HH2 ARG 36 6.632 -4.505 -7.653 299 HH22 ARG 36 2HH2 ARG 36 7.575 -3.112 -7.239 300 H VAL 37 H VAL 37 1.523 -6.278 -11.422 301 HA VAL 37 HA VAL 37 0.370 -3.548 -11.351 302 HB VAL 37 HB VAL 37 -1.108 -6.227 -11.288 303 HG11 VAL 37 1HG1 VAL 37 -3.206 -4.916 -11.044 304 HG12 VAL 37 2HG1 VAL 37 -2.260 -3.438 -10.852 305 HG13 VAL 37 3HG1 VAL 37 -2.150 -4.719 -9.642 306 HG21 VAL 37 1HG2 VAL 37 -0.497 -5.483 -13.559 307 HG22 VAL 37 2HG2 VAL 37 -1.249 -3.914 -13.268 308 HG23 VAL 37 3HG2 VAL 37 -2.244 -5.370 -13.324 309 H THR 38 H THR 38 0.697 -2.692 -9.445 310 HA THR 38 HA THR 38 1.102 -4.269 -7.020 311 HB THR 38 HB THR 38 1.323 -1.251 -7.469 312 HG1 THR 38 HG1 THR 38 3.346 -1.602 -8.089 313 HG21 THR 38 1HG2 THR 38 1.053 -1.835 -5.073 314 HG22 THR 38 2HG2 THR 38 2.689 -1.263 -5.398 315 HG23 THR 38 3HG2 THR 38 2.386 -2.989 -5.194 316 H TRP 39 H TRP 39 -0.803 -4.922 -6.211 317 HA TRP 39 HA TRP 39 -3.097 -3.069 -6.011 318 HB2 TRP 39 2HB TRP 39 -4.322 -5.321 -5.424 319 HB3 TRP 39 1HB TRP 39 -3.933 -4.971 -7.096 320 HD1 TRP 39 HD1 TRP 39 -1.872 -6.427 -8.210 321 HE1 TRP 39 HE1 TRP 39 -1.032 -8.794 -7.674 322 HE3 TRP 39 HE3 TRP 39 -3.954 -7.033 -3.560 323 HZ2 TRP 39 HZ2 TRP 39 -1.206 -10.670 -5.590 324 HZ3 TRP 39 HZ3 TRP 39 -3.571 -9.155 -2.366 325 HH2 TRP 39 HH2 TRP 39 -2.224 -10.939 -3.364 326 H ASP 40 H ASP 40 -3.550 -2.253 -4.060 327 HA ASP 40 HA ASP 40 -1.537 -2.332 -2.115 328 HB2 ASP 40 2HB ASP 40 -2.926 -0.339 -2.578 329 HB3 ASP 40 1HB ASP 40 -4.329 -1.145 -1.879 Start of MODEL 14 1 HA THR 1 HA THR 1 4.559 -10.692 -3.361 2 HB THR 1 HB THR 1 2.428 -11.401 -2.183 3 HG1 THR 1 HG1 THR 1 2.296 -11.242 0.015 4 HG21 THR 1 1HG2 THR 1 4.958 -12.651 -1.027 5 HG22 THR 1 2HG2 THR 1 4.210 -13.088 -2.566 6 HG23 THR 1 3HG2 THR 1 3.352 -13.394 -1.055 7 H GLN 2 H GLN 2 4.828 -7.897 -1.574 8 HA GLN 2 HA GLN 2 2.357 -6.590 -1.725 9 HB2 GLN 2 2HB GLN 2 3.530 -4.550 -1.241 10 HB3 GLN 2 1HB GLN 2 4.412 -5.832 -0.423 11 HG2 GLN 2 2HG GLN 2 5.231 -4.503 -3.034 12 HG3 GLN 2 1HG GLN 2 5.914 -4.157 -1.451 13 HE21 GLN 2 1HE2 GLN 2 7.143 -5.133 -3.970 14 HE22 GLN 2 2HE2 GLN 2 7.997 -6.569 -3.526 15 H THR 3 H THR 3 4.729 -7.150 -4.228 16 HA THR 3 HA THR 3 2.963 -5.847 -6.218 17 HB THR 3 HB THR 3 5.029 -5.629 -7.664 18 HG1 THR 3 HG1 THR 3 6.128 -7.098 -5.708 19 HG21 THR 3 1HG2 THR 3 5.209 -4.140 -5.012 20 HG22 THR 3 2HG2 THR 3 4.237 -3.654 -6.406 21 HG23 THR 3 3HG2 THR 3 5.998 -3.669 -6.520 22 H GLN 4 H GLN 4 1.811 -7.510 -7.045 23 HA GLN 4 HA GLN 4 2.987 -10.157 -7.412 24 HB2 GLN 4 2HB GLN 4 0.217 -9.170 -8.254 25 HB3 GLN 4 1HB GLN 4 0.760 -10.846 -8.177 26 HG2 GLN 4 2HG GLN 4 0.481 -8.998 -5.797 27 HG3 GLN 4 1HG GLN 4 -0.738 -10.158 -6.314 28 HE21 GLN 4 1HE2 GLN 4 -0.656 -11.148 -4.276 29 HE22 GLN 4 2HE2 GLN 4 0.653 -12.165 -3.798 30 H GLU 5 H GLU 5 4.347 -10.339 -9.053 31 HA GLU 5 HA GLU 5 4.139 -8.725 -11.450 32 HB2 GLU 5 2HB GLU 5 6.349 -9.101 -10.411 33 HB3 GLU 5 1HB GLU 5 6.191 -10.842 -10.654 34 HG2 GLU 5 2HG GLU 5 6.143 -10.454 -13.122 35 HG3 GLU 5 1HG GLU 5 6.353 -8.727 -12.833 36 H PHE 6 H PHE 6 3.162 -9.365 -13.228 37 HA PHE 6 HA PHE 6 2.726 -12.231 -13.801 38 HB2 PHE 6 2HB PHE 6 0.782 -9.911 -14.260 39 HB3 PHE 6 1HB PHE 6 0.526 -11.561 -14.825 40 HD1 PHE 6 HD1 PHE 6 -0.205 -9.304 -12.203 41 HD2 PHE 6 HD2 PHE 6 0.667 -13.404 -12.935 42 HE1 PHE 6 HE1 PHE 6 -1.267 -9.913 -10.074 43 HE2 PHE 6 HE2 PHE 6 -0.385 -14.015 -10.804 44 HZ PHE 6 HZ PHE 6 -1.359 -12.268 -9.372 45 H ASP 7 H ASP 7 1.985 -12.347 -16.253 46 HA ASP 7 HA ASP 7 4.109 -11.072 -17.846 47 HB2 ASP 7 2HB ASP 7 2.293 -13.471 -18.375 48 HB3 ASP 7 1HB ASP 7 3.484 -12.870 -19.530 49 H ASN 8 H ASN 8 3.374 -10.903 -20.246 50 HA ASN 8 HA ASN 8 1.446 -8.849 -20.540 51 HB2 ASN 8 2HB ASN 8 1.904 -9.032 -22.933 52 HB3 ASN 8 1HB ASN 8 3.412 -9.104 -22.033 53 HD21 ASN 8 1HD2 ASN 8 2.724 -10.071 -24.748 54 HD22 ASN 8 2HD2 ASN 8 3.152 -11.747 -24.774 55 H GLU 9 H GLU 9 1.105 -12.206 -20.324 56 HA GLU 9 HA GLU 9 -1.202 -12.752 -21.877 57 HB2 GLU 9 2HB GLU 9 -0.131 -14.155 -19.378 58 HB3 GLU 9 1HB GLU 9 -1.337 -14.814 -20.493 59 HG2 GLU 9 2HG GLU 9 0.303 -14.854 -22.308 60 HG3 GLU 9 1HG GLU 9 1.513 -14.082 -21.277 61 H GLU 10 H GLU 10 -0.787 -11.038 -18.980 62 HA GLU 10 HA GLU 10 -2.123 -9.671 -17.872 63 HB2 GLU 10 2HB GLU 10 -3.107 -9.189 -20.114 64 HB3 GLU 10 1HB GLU 10 -4.327 -10.422 -19.827 65 HG2 GLU 10 2HG GLU 10 -5.213 -8.172 -19.437 66 HG3 GLU 10 1HG GLU 10 -5.232 -9.139 -17.963 67 H GLU 11 H GLU 11 -1.717 -11.431 -16.304 68 HA GLU 11 HA GLU 11 -4.226 -12.619 -15.278 69 HB2 GLU 11 2HB GLU 11 -1.391 -12.985 -14.217 70 HB3 GLU 11 1HB GLU 11 -2.822 -13.912 -13.763 71 HG2 GLU 11 2HG GLU 11 -1.443 -13.943 -16.477 72 HG3 GLU 11 1HG GLU 11 -1.302 -15.180 -15.231 73 H ALA 12 H ALA 12 -2.797 -9.711 -15.191 74 HA ALA 12 HA ALA 12 -2.688 -9.193 -12.332 75 HB1 ALA 12 1HB ALA 12 -2.332 -7.282 -14.672 76 HB2 ALA 12 2HB ALA 12 -1.042 -8.164 -13.831 77 HB3 ALA 12 3HB ALA 12 -1.981 -6.937 -12.971 78 H ARG 13 H ARG 13 -4.641 -7.800 -15.046 79 HA ARG 13 HA ARG 13 -6.576 -6.476 -13.441 80 HB2 ARG 13 2HB ARG 13 -7.041 -7.627 -16.224 81 HB3 ARG 13 1HB ARG 13 -7.998 -6.368 -15.441 82 HG2 ARG 13 2HG ARG 13 -5.161 -6.171 -16.464 83 HG3 ARG 13 1HG ARG 13 -6.598 -5.406 -17.146 84 HD2 ARG 13 2HD ARG 13 -6.790 -4.000 -15.137 85 HD3 ARG 13 1HD ARG 13 -5.361 -4.789 -14.440 86 HE ARG 13 HE ARG 13 -4.655 -3.840 -16.969 87 HH11 ARG 13 1HH1 ARG 13 -5.463 -2.508 -13.833 88 HH12 ARG 13 2HH1 ARG 13 -4.639 -1.023 -14.136 89 HH21 ARG 13 1HH2 ARG 13 -3.556 -1.953 -17.359 90 HH22 ARG 13 2HH2 ARG 13 -3.539 -0.700 -16.158 91 H LYS 14 H LYS 14 -6.162 -9.771 -14.341 92 HA LYS 14 HA LYS 14 -8.771 -10.807 -14.150 93 HB2 LYS 14 2HB LYS 14 -6.795 -11.902 -15.201 94 HB3 LYS 14 1HB LYS 14 -6.079 -12.128 -13.607 95 HG2 LYS 14 2HG LYS 14 -7.849 -13.697 -12.999 96 HG3 LYS 14 1HG LYS 14 -8.672 -13.403 -14.546 97 HD2 LYS 14 2HD LYS 14 -6.647 -14.249 -15.744 98 HD3 LYS 14 1HD LYS 14 -5.888 -14.597 -14.186 99 HE2 LYS 14 2HE LYS 14 -7.605 -16.272 -13.702 100 HE3 LYS 14 1HE LYS 14 -8.458 -15.869 -15.197 101 HZ1 LYS 14 1HZ LYS 14 -6.609 -16.651 -16.463 102 HZ2 LYS 14 2HZ LYS 14 -7.070 -17.856 -15.366 103 HZ3 LYS 14 3HZ LYS 14 -5.693 -16.921 -15.067 104 H ALA 15 H ALA 15 -6.142 -10.698 -11.710 105 HA ALA 15 HA ALA 15 -7.848 -11.512 -9.523 106 HB1 ALA 15 1HB ALA 15 -5.065 -10.286 -9.469 107 HB2 ALA 15 2HB ALA 15 -5.440 -12.009 -9.498 108 HB3 ALA 15 3HB ALA 15 -5.890 -11.042 -8.096 109 H GLU 16 H GLU 16 -6.448 -8.472 -10.663 110 HA GLU 16 HA GLU 16 -7.140 -6.770 -8.562 111 HB2 GLU 16 2HB GLU 16 -5.424 -6.332 -10.332 112 HB3 GLU 16 1HB GLU 16 -6.718 -6.077 -11.500 113 HG2 GLU 16 2HG GLU 16 -7.493 -4.146 -10.011 114 HG3 GLU 16 1HG GLU 16 -5.995 -4.367 -9.106 115 H LYS 17 H LYS 17 -9.065 -7.944 -11.208 116 HA LYS 17 HA LYS 17 -11.034 -6.139 -11.745 117 HB2 LYS 17 2HB LYS 17 -10.887 -8.301 -12.849 118 HB3 LYS 17 1HB LYS 17 -11.258 -9.151 -11.353 119 HG2 LYS 17 2HG LYS 17 -13.571 -8.178 -11.429 120 HG3 LYS 17 1HG LYS 17 -13.164 -7.424 -12.981 121 HD2 LYS 17 2HD LYS 17 -12.772 -9.660 -13.961 122 HD3 LYS 17 1HD LYS 17 -13.127 -10.417 -12.405 123 HE2 LYS 17 2HE LYS 17 -15.073 -10.616 -13.833 124 HE3 LYS 17 1HE LYS 17 -15.449 -9.471 -12.546 125 HZ1 LYS 17 1HZ LYS 17 -14.628 -8.721 -15.300 126 HZ2 LYS 17 2HZ LYS 17 -15.105 -7.664 -14.066 127 HZ3 LYS 17 3HZ LYS 17 -16.221 -8.738 -14.729 128 H GLU 18 H GLU 18 -11.055 -8.414 -9.044 129 HA GLU 18 HA GLU 18 -13.571 -7.560 -7.966 130 HB2 GLU 18 2HB GLU 18 -11.400 -9.305 -6.757 131 HB3 GLU 18 1HB GLU 18 -13.049 -9.138 -6.145 132 HG2 GLU 18 2HG GLU 18 -12.195 -10.350 -8.796 133 HG3 GLU 18 1HG GLU 18 -12.809 -11.215 -7.389 134 H LEU 19 H LEU 19 -10.187 -6.797 -7.310 135 HA LEU 19 HA LEU 19 -10.497 -5.374 -4.862 136 HB2 LEU 19 2HB LEU 19 -8.393 -5.205 -7.069 137 HB3 LEU 19 1HB LEU 19 -8.303 -4.215 -5.628 138 HG LEU 19 HG LEU 19 -6.786 -6.097 -5.446 139 HD11 LEU 19 1HD1 LEU 19 -7.782 -5.292 -3.387 140 HD12 LEU 19 2HD1 LEU 19 -7.445 -7.020 -3.302 141 HD13 LEU 19 3HD1 LEU 19 -9.103 -6.455 -3.541 142 HD21 LEU 19 1HD2 LEU 19 -7.910 -7.678 -6.933 143 HD22 LEU 19 2HD2 LEU 19 -9.165 -7.950 -5.720 144 HD23 LEU 19 3HD2 LEU 19 -7.491 -8.418 -5.389 145 H ARG 20 H ARG 20 -10.956 -4.499 -8.250 146 HA ARG 20 HA ARG 20 -10.629 -1.667 -8.029 147 HB2 ARG 20 2HB ARG 20 -11.782 -3.447 -10.209 148 HB3 ARG 20 1HB ARG 20 -11.608 -1.705 -10.406 149 HG2 ARG 20 2HG ARG 20 -9.212 -1.837 -10.313 150 HG3 ARG 20 1HG ARG 20 -9.265 -3.508 -9.756 151 HD2 ARG 20 2HD ARG 20 -8.614 -3.523 -12.068 152 HD3 ARG 20 1HD ARG 20 -10.245 -4.179 -11.960 153 HE ARG 20 HE ARG 20 -11.036 -1.943 -12.706 154 HH11 ARG 20 1HH1 ARG 20 -7.719 -2.851 -13.462 155 HH12 ARG 20 2HH1 ARG 20 -7.693 -1.935 -14.936 156 HH21 ARG 20 1HH2 ARG 20 -10.951 -0.744 -14.628 157 HH22 ARG 20 2HH2 ARG 20 -9.510 -0.750 -15.586 158 H LYS 21 H LYS 21 -13.066 -3.234 -6.600 159 HA LYS 21 HA LYS 21 -15.269 -1.485 -7.499 160 HB2 LYS 21 2HB LYS 21 -15.301 -3.842 -5.562 161 HB3 LYS 21 1HB LYS 21 -16.709 -3.020 -6.240 162 HG2 LYS 21 2HG LYS 21 -16.124 -3.831 -8.491 163 HG3 LYS 21 1HG LYS 21 -14.653 -4.580 -7.852 164 HD2 LYS 21 2HD LYS 21 -16.062 -6.061 -6.440 165 HD3 LYS 21 1HD LYS 21 -17.514 -5.346 -7.155 166 HE2 LYS 21 2HE LYS 21 -16.861 -6.196 -9.366 167 HE3 LYS 21 1HE LYS 21 -15.356 -6.850 -8.698 168 HZ1 LYS 21 1HZ LYS 21 -16.613 -8.359 -7.370 169 HZ2 LYS 21 2HZ LYS 21 -17.115 -8.507 -8.967 170 HZ3 LYS 21 3HZ LYS 21 -18.079 -7.673 -7.860 171 H GLU 22 H GLU 22 -13.660 -2.556 -4.466 172 HA GLU 22 HA GLU 22 -14.197 0.036 -3.152 173 HB2 GLU 22 2HB GLU 22 -14.995 -2.669 -1.968 174 HB3 GLU 22 1HB GLU 22 -14.925 -1.162 -1.051 175 HG2 GLU 22 2HG GLU 22 -16.702 -0.228 -2.497 176 HG3 GLU 22 1HG GLU 22 -16.779 -1.761 -3.371 177 H ASN 23 H ASN 23 -12.639 0.621 -1.706 178 HA ASN 23 HA ASN 23 -10.576 0.806 -0.764 179 HB2 ASN 23 2HB ASN 23 -11.341 -2.016 0.079 180 HB3 ASN 23 1HB ASN 23 -9.931 -1.180 0.718 181 HD21 ASN 23 1HD2 ASN 23 -10.231 0.628 2.066 182 HD22 ASN 23 2HD2 ASN 23 -11.748 0.932 2.834 183 H ARG 24 H ARG 24 -10.442 0.329 -3.425 184 HA ARG 24 HA ARG 24 -8.500 -1.686 -4.079 185 HB2 ARG 24 2HB ARG 24 -8.506 -0.537 -6.353 186 HB3 ARG 24 1HB ARG 24 -10.029 -1.218 -5.815 187 HG2 ARG 24 2HG ARG 24 -10.874 0.993 -5.218 188 HG3 ARG 24 1HG ARG 24 -9.319 1.722 -5.627 189 HD2 ARG 24 2HD ARG 24 -9.619 1.081 -7.982 190 HD3 ARG 24 1HD ARG 24 -11.144 0.290 -7.584 191 HE ARG 24 HE ARG 24 -12.121 2.411 -7.143 192 HH11 ARG 24 1HH1 ARG 24 -8.922 2.671 -8.602 193 HH12 ARG 24 2HH1 ARG 24 -9.171 4.300 -9.139 194 HH21 ARG 24 1HH2 ARG 24 -12.444 4.525 -7.907 195 HH22 ARG 24 2HH2 ARG 24 -11.172 5.329 -8.760 196 H ARG 25 H ARG 25 -6.829 -1.126 -2.557 197 HA ARG 25 HA ARG 25 -5.101 1.129 -3.247 198 HB2 ARG 25 2HB ARG 25 -4.751 -1.212 -1.336 199 HB3 ARG 25 1HB ARG 25 -3.447 -0.099 -1.690 200 HG2 ARG 25 2HG ARG 25 -4.324 0.630 0.352 201 HG3 ARG 25 1HG ARG 25 -4.957 1.767 -0.839 202 HD2 ARG 25 2HD ARG 25 -7.128 0.680 -0.791 203 HD3 ARG 25 1HD ARG 25 -6.507 -0.610 0.245 204 HE ARG 25 HE ARG 25 -7.230 2.099 1.026 205 HH11 ARG 25 1HH1 ARG 25 -5.513 -0.809 2.040 206 HH12 ARG 25 2HH1 ARG 25 -5.734 -0.492 3.729 207 HH21 ARG 25 1HH2 ARG 25 -7.504 2.512 3.227 208 HH22 ARG 25 2HH2 ARG 25 -6.876 1.403 4.404 209 H VAL 26 H VAL 26 -5.442 0.132 -5.565 210 HA VAL 26 HA VAL 26 -3.192 -1.701 -6.164 211 HB VAL 26 HB VAL 26 -4.486 -2.482 -8.185 212 HG11 VAL 26 1HG1 VAL 26 -4.381 -3.881 -6.144 213 HG12 VAL 26 2HG1 VAL 26 -5.931 -4.078 -6.964 214 HG13 VAL 26 3HG1 VAL 26 -5.825 -3.082 -5.508 215 HG21 VAL 26 1HG2 VAL 26 -6.120 -0.642 -8.434 216 HG22 VAL 26 2HG2 VAL 26 -6.870 -1.069 -6.894 217 HG23 VAL 26 3HG2 VAL 26 -6.965 -2.186 -8.261 218 H THR 27 H THR 27 -1.647 -0.700 -7.146 219 HA THR 27 HA THR 27 -2.209 1.297 -9.259 220 HB THR 27 HB THR 27 0.227 1.150 -7.418 221 HG1 THR 27 HG1 THR 27 -2.069 2.253 -6.962 222 HG21 THR 27 1HG2 THR 27 0.898 1.900 -9.677 223 HG22 THR 27 2HG2 THR 27 0.981 3.232 -8.522 224 HG23 THR 27 3HG2 THR 27 -0.372 3.131 -9.650 225 H VAL 28 H VAL 28 -2.047 0.137 -11.118 226 HA VAL 28 HA VAL 28 -0.315 -2.132 -11.396 227 HB VAL 28 HB VAL 28 -2.412 -2.062 -12.627 228 HG11 VAL 28 1HG1 VAL 28 -2.810 -0.562 -14.559 229 HG12 VAL 28 2HG1 VAL 28 -1.308 0.291 -14.199 230 HG13 VAL 28 3HG1 VAL 28 -2.646 0.345 -13.051 231 HG21 VAL 28 1HG2 VAL 28 -0.582 -3.417 -13.568 232 HG22 VAL 28 2HG2 VAL 28 -0.040 -2.039 -14.532 233 HG23 VAL 28 3HG2 VAL 28 -1.612 -2.778 -14.853 234 H THR 29 H THR 29 1.771 -2.079 -11.810 235 HA THR 29 HA THR 29 3.214 0.364 -12.202 236 HB THR 29 HB THR 29 4.298 -2.491 -12.377 237 HG1 THR 29 HG1 THR 29 3.353 -1.001 -10.231 238 HG21 THR 29 1HG2 THR 29 6.410 -1.510 -11.548 239 HG22 THR 29 2HG2 THR 29 5.678 0.096 -11.533 240 HG23 THR 29 3HG2 THR 29 5.935 -0.742 -13.067 241 H GLN 30 H GLN 30 4.466 0.958 -14.027 242 HA GLN 30 HA GLN 30 3.266 0.755 -16.530 243 HB2 GLN 30 2HB GLN 30 4.747 2.617 -15.856 244 HB3 GLN 30 1HB GLN 30 6.125 1.529 -15.847 245 HG2 GLN 30 2HG GLN 30 5.854 1.218 -18.305 246 HG3 GLN 30 1HG GLN 30 4.536 2.388 -18.278 247 HE21 GLN 30 1HE2 GLN 30 5.614 3.750 -19.700 248 HE22 GLN 30 2HE2 GLN 30 6.993 4.682 -19.237 249 H GLU 31 H GLU 31 4.039 -0.136 -18.507 250 HA GLU 31 HA GLU 31 4.742 -2.903 -18.401 251 HB2 GLU 31 2HB GLU 31 4.435 -2.742 -20.880 252 HB3 GLU 31 1HB GLU 31 3.110 -2.005 -19.977 253 HG2 GLU 31 2HG GLU 31 4.338 0.239 -20.327 254 HG3 GLU 31 1HG GLU 31 5.329 -0.615 -21.511 255 H ASN 32 H ASN 32 6.888 -0.653 -17.758 256 HA ASN 32 HA ASN 32 9.054 -0.939 -19.514 257 HB2 ASN 32 2HB ASN 32 8.924 0.825 -17.758 258 HB3 ASN 32 1HB ASN 32 9.062 -0.403 -16.504 259 HD21 ASN 32 1HD2 ASN 32 10.742 1.371 -18.986 260 HD22 ASN 32 2HD2 ASN 32 12.349 1.014 -18.448 261 H GLY 33 H GLY 33 9.493 -3.001 -20.137 262 HA2 GLY 33 2HA GLY 33 10.556 -5.035 -20.075 263 HA3 GLY 33 1HA GLY 33 10.835 -4.839 -18.349 264 H ARG 34 H ARG 34 8.804 -5.066 -16.962 265 HA ARG 34 HA ARG 34 7.303 -7.466 -17.868 266 HB2 ARG 34 2HB ARG 34 8.510 -6.883 -15.122 267 HB3 ARG 34 1HB ARG 34 7.524 -8.298 -15.519 268 HG2 ARG 34 2HG ARG 34 9.207 -9.127 -17.053 269 HG3 ARG 34 1HG ARG 34 10.135 -7.629 -16.921 270 HD2 ARG 34 2HD ARG 34 10.624 -8.135 -14.564 271 HD3 ARG 34 1HD ARG 34 9.686 -9.630 -14.683 272 HE ARG 34 HE ARG 34 11.407 -10.129 -16.577 273 HH11 ARG 34 1HH1 ARG 34 12.166 -8.560 -13.525 274 HH12 ARG 34 2HH1 ARG 34 13.787 -9.167 -13.478 275 HH21 ARG 34 1HH2 ARG 34 13.525 -10.913 -16.502 276 HH22 ARG 34 2HH2 ARG 34 14.562 -10.495 -15.179 277 H TRP 35 H TRP 35 5.230 -7.811 -16.882 278 HA TRP 35 HA TRP 35 3.759 -5.315 -16.449 279 HB2 TRP 35 2HB TRP 35 3.068 -6.880 -18.276 280 HB3 TRP 35 1HB TRP 35 2.723 -8.118 -17.075 281 HD1 TRP 35 HD1 TRP 35 0.246 -8.181 -16.264 282 HE1 TRP 35 HE1 TRP 35 -1.745 -6.563 -16.347 283 HE3 TRP 35 HE3 TRP 35 2.577 -4.060 -18.274 284 HZ2 TRP 35 HZ2 TRP 35 -2.281 -3.921 -17.126 285 HZ3 TRP 35 HZ3 TRP 35 1.238 -2.024 -18.650 286 HH2 TRP 35 HH2 TRP 35 -1.144 -1.958 -18.088 287 H ARG 36 H ARG 36 4.187 -4.922 -14.275 288 HA ARG 36 HA ARG 36 3.446 -6.942 -12.239 289 HB2 ARG 36 2HB ARG 36 4.998 -4.326 -11.904 290 HB3 ARG 36 1HB ARG 36 4.739 -5.549 -10.654 291 HG2 ARG 36 2HG ARG 36 6.100 -7.139 -11.888 292 HG3 ARG 36 1HG ARG 36 6.249 -6.015 -13.237 293 HD2 ARG 36 2HD ARG 36 8.300 -5.997 -11.937 294 HD3 ARG 36 1HD ARG 36 7.479 -4.441 -11.765 295 HE ARG 36 HE ARG 36 7.071 -6.478 -9.685 296 HH11 ARG 36 1HH1 ARG 36 8.496 -3.398 -10.563 297 HH12 ARG 36 2HH1 ARG 36 9.007 -3.051 -8.948 298 HH21 ARG 36 1HH2 ARG 36 7.775 -5.991 -7.570 299 HH22 ARG 36 2HH2 ARG 36 8.613 -4.503 -7.279 300 H VAL 37 H VAL 37 1.829 -6.542 -10.765 301 HA VAL 37 HA VAL 37 0.513 -3.874 -10.752 302 HB VAL 37 HB VAL 37 -1.082 -5.593 -11.558 303 HG11 VAL 37 1HG1 VAL 37 -0.157 -7.623 -10.522 304 HG12 VAL 37 2HG1 VAL 37 -1.870 -7.461 -10.123 305 HG13 VAL 37 3HG1 VAL 37 -0.640 -7.046 -8.925 306 HG21 VAL 37 1HG2 VAL 37 -1.995 -3.712 -10.235 307 HG22 VAL 37 2HG2 VAL 37 -1.786 -4.643 -8.749 308 HG23 VAL 37 3HG2 VAL 37 -2.944 -5.181 -9.968 309 H THR 38 H THR 38 0.547 -2.817 -8.888 310 HA THR 38 HA THR 38 1.822 -4.006 -6.516 311 HB THR 38 HB THR 38 1.312 -1.073 -7.225 312 HG1 THR 38 HG1 THR 38 2.916 -2.501 -8.455 313 HG21 THR 38 1HG2 THR 38 2.914 -0.542 -5.416 314 HG22 THR 38 2HG2 THR 38 3.035 -2.254 -5.003 315 HG23 THR 38 3HG2 THR 38 1.508 -1.398 -4.778 316 H TRP 39 H TRP 39 0.685 -4.218 -4.635 317 HA TRP 39 HA TRP 39 -1.832 -2.767 -4.244 318 HB2 TRP 39 2HB TRP 39 -2.896 -4.755 -3.211 319 HB3 TRP 39 1HB TRP 39 -2.533 -5.021 -4.911 320 HD1 TRP 39 HD1 TRP 39 -0.293 -6.624 -5.396 321 HE1 TRP 39 HE1 TRP 39 0.544 -8.654 -4.068 322 HE3 TRP 39 HE3 TRP 39 -2.730 -5.815 -0.973 323 HZ2 TRP 39 HZ2 TRP 39 0.248 -9.782 -1.532 324 HZ3 TRP 39 HZ3 TRP 39 -2.396 -7.425 0.862 325 HH2 TRP 39 HH2 TRP 39 -0.936 -9.373 0.587 326 H ASP 40 H ASP 40 -2.187 -2.100 -2.138 327 HA ASP 40 HA ASP 40 0.126 -2.297 -0.298 328 HB2 ASP 40 2HB ASP 40 -0.214 -0.018 -1.196 329 HB3 ASP 40 1HB ASP 40 -1.908 -0.051 -0.696 Start of MODEL 15 1 HA THR 1 HA THR 1 3.615 -8.082 0.578 2 HB THR 1 HB THR 1 5.307 -5.812 -0.554 3 HG1 THR 1 HG1 THR 1 5.888 -7.550 1.631 4 HG21 THR 1 1HG2 THR 1 3.647 -4.883 1.030 5 HG22 THR 1 2HG2 THR 1 5.270 -4.824 1.712 6 HG23 THR 1 3HG2 THR 1 4.139 -6.066 2.249 7 H GLN 2 H GLN 2 3.534 -5.966 -2.322 8 HA GLN 2 HA GLN 2 0.752 -5.234 -1.777 9 HB2 GLN 2 2HB GLN 2 1.258 -2.808 -1.932 10 HB3 GLN 2 1HB GLN 2 2.025 -3.564 -0.538 11 HG2 GLN 2 2HG GLN 2 4.177 -3.633 -1.773 12 HG3 GLN 2 1HG GLN 2 3.397 -2.837 -3.144 13 HE21 GLN 2 1HE2 GLN 2 4.555 -2.422 0.137 14 HE22 GLN 2 2HE2 GLN 2 4.518 -0.694 0.134 15 H THR 3 H THR 3 2.837 -6.341 -4.066 16 HA THR 3 HA THR 3 1.268 -5.081 -6.239 17 HB THR 3 HB THR 3 3.554 -4.089 -6.217 18 HG1 THR 3 HG1 THR 3 3.884 -4.380 -8.448 19 HG21 THR 3 1HG2 THR 3 5.504 -5.410 -6.950 20 HG22 THR 3 2HG2 THR 3 4.535 -6.886 -6.893 21 HG23 THR 3 3HG2 THR 3 4.878 -5.997 -5.409 22 H GLN 4 H GLN 4 0.344 -6.418 -7.626 23 HA GLN 4 HA GLN 4 0.778 -9.325 -7.412 24 HB2 GLN 4 2HB GLN 4 -1.503 -7.762 -8.719 25 HB3 GLN 4 1HB GLN 4 -1.444 -9.507 -8.495 26 HG2 GLN 4 2HG GLN 4 -1.574 -7.440 -6.273 27 HG3 GLN 4 1HG GLN 4 -2.923 -8.416 -6.852 28 HE21 GLN 4 1HE2 GLN 4 -1.654 -8.232 -4.167 29 HE22 GLN 4 2HE2 GLN 4 -1.238 -9.852 -3.748 30 H GLU 5 H GLU 5 2.224 -10.080 -8.886 31 HA GLU 5 HA GLU 5 2.941 -8.437 -11.182 32 HB2 GLU 5 2HB GLU 5 4.918 -9.873 -11.366 33 HB3 GLU 5 1HB GLU 5 4.717 -9.270 -9.731 34 HG2 GLU 5 2HG GLU 5 3.830 -11.472 -9.030 35 HG3 GLU 5 1HG GLU 5 4.048 -12.073 -10.673 36 H PHE 6 H PHE 6 2.276 -8.753 -13.193 37 HA PHE 6 HA PHE 6 1.506 -11.409 -14.229 38 HB2 PHE 6 2HB PHE 6 -0.246 -8.897 -14.418 39 HB3 PHE 6 1HB PHE 6 -0.551 -10.398 -15.290 40 HD1 PHE 6 HD1 PHE 6 -1.245 -8.600 -12.289 41 HD2 PHE 6 HD2 PHE 6 -0.794 -12.561 -13.838 42 HE1 PHE 6 HE1 PHE 6 -2.475 -9.502 -10.369 43 HE2 PHE 6 HE2 PHE 6 -2.033 -13.450 -11.913 44 HZ PHE 6 HZ PHE 6 -2.874 -11.922 -10.178 45 H ASP 7 H ASP 7 0.777 -10.752 -16.778 46 HA ASP 7 HA ASP 7 2.560 -8.977 -18.110 47 HB2 ASP 7 2HB ASP 7 4.101 -10.723 -19.105 48 HB3 ASP 7 1HB ASP 7 4.338 -10.442 -17.388 49 H ASN 8 H ASN 8 2.886 -11.102 -20.327 50 HA ASN 8 HA ASN 8 1.000 -10.254 -22.117 51 HB2 ASN 8 2HB ASN 8 3.031 -11.248 -22.876 52 HB3 ASN 8 1HB ASN 8 2.746 -12.731 -21.983 53 HD21 ASN 8 1HD2 ASN 8 1.500 -14.330 -22.893 54 HD22 ASN 8 2HD2 ASN 8 0.979 -14.296 -24.540 55 H GLU 9 H GLU 9 0.555 -12.888 -19.784 56 HA GLU 9 HA GLU 9 -1.591 -14.183 -21.166 57 HB2 GLU 9 2HB GLU 9 -0.767 -14.325 -18.242 58 HB3 GLU 9 1HB GLU 9 -1.999 -15.353 -18.971 59 HG2 GLU 9 2HG GLU 9 0.956 -15.281 -19.618 60 HG3 GLU 9 1HG GLU 9 0.050 -16.595 -18.867 61 H GLU 10 H GLU 10 -1.521 -11.225 -19.544 62 HA GLU 10 HA GLU 10 -3.053 -9.603 -19.261 63 HB2 GLU 10 2HB GLU 10 -3.737 -10.390 -21.555 64 HB3 GLU 10 1HB GLU 10 -4.927 -11.442 -20.800 65 HG2 GLU 10 2HG GLU 10 -6.085 -9.444 -19.895 66 HG3 GLU 10 1HG GLU 10 -4.910 -8.410 -20.709 67 H GLU 11 H GLU 11 -2.875 -12.035 -17.429 68 HA GLU 11 HA GLU 11 -5.382 -12.263 -16.062 69 HB2 GLU 11 2HB GLU 11 -2.571 -13.040 -15.197 70 HB3 GLU 11 1HB GLU 11 -4.049 -13.492 -14.346 71 HG2 GLU 11 2HG GLU 11 -4.807 -14.770 -16.310 72 HG3 GLU 11 1HG GLU 11 -3.352 -14.300 -17.192 73 H ALA 12 H ALA 12 -3.158 -9.775 -16.176 74 HA ALA 12 HA ALA 12 -3.368 -8.505 -13.696 75 HB1 ALA 12 1HB ALA 12 -1.921 -7.705 -15.520 76 HB2 ALA 12 2HB ALA 12 -2.989 -6.416 -14.962 77 HB3 ALA 12 3HB ALA 12 -3.338 -7.262 -16.473 78 H ARG 13 H ARG 13 -5.585 -8.614 -16.462 79 HA ARG 13 HA ARG 13 -7.659 -6.929 -15.491 80 HB2 ARG 13 2HB ARG 13 -7.782 -9.287 -17.426 81 HB3 ARG 13 1HB ARG 13 -9.049 -8.081 -17.224 82 HG2 ARG 13 2HG ARG 13 -6.242 -7.481 -18.211 83 HG3 ARG 13 1HG ARG 13 -7.636 -7.758 -19.257 84 HD2 ARG 13 2HD ARG 13 -8.763 -5.802 -18.263 85 HD3 ARG 13 1HD ARG 13 -7.361 -5.522 -17.223 86 HE ARG 13 HE ARG 13 -6.336 -5.535 -19.754 87 HH11 ARG 13 1HH1 ARG 13 -8.836 -3.653 -18.169 88 HH12 ARG 13 2HH1 ARG 13 -8.587 -2.264 -19.173 89 HH21 ARG 13 1HH2 ARG 13 -6.025 -3.714 -21.063 90 HH22 ARG 13 2HH2 ARG 13 -7.002 -2.298 -20.824 91 H LYS 14 H LYS 14 -7.098 -10.416 -15.378 92 HA LYS 14 HA LYS 14 -9.418 -11.424 -14.250 93 HB2 LYS 14 2HB LYS 14 -7.609 -12.795 -15.220 94 HB3 LYS 14 1HB LYS 14 -6.536 -12.339 -13.907 95 HG2 LYS 14 2HG LYS 14 -8.119 -13.537 -12.329 96 HG3 LYS 14 1HG LYS 14 -8.978 -14.118 -13.761 97 HD2 LYS 14 2HD LYS 14 -6.783 -15.129 -14.558 98 HD3 LYS 14 1HD LYS 14 -6.089 -14.693 -12.994 99 HE2 LYS 14 2HE LYS 14 -6.757 -17.033 -12.967 100 HE3 LYS 14 1HE LYS 14 -7.806 -16.126 -11.877 101 HZ1 LYS 14 1HZ LYS 14 -9.046 -17.682 -13.253 102 HZ2 LYS 14 2HZ LYS 14 -8.496 -16.922 -14.657 103 HZ3 LYS 14 3HZ LYS 14 -9.500 -16.093 -13.586 104 H ALA 15 H ALA 15 -6.458 -10.315 -12.606 105 HA ALA 15 HA ALA 15 -7.415 -10.746 -9.936 106 HB1 ALA 15 1HB ALA 15 -5.040 -9.118 -10.900 107 HB2 ALA 15 2HB ALA 15 -5.025 -10.831 -10.491 108 HB3 ALA 15 3HB ALA 15 -5.347 -9.641 -9.232 109 H GLU 16 H GLU 16 -7.057 -7.893 -12.044 110 HA GLU 16 HA GLU 16 -7.487 -5.799 -10.279 111 HB2 GLU 16 2HB GLU 16 -6.707 -5.475 -12.560 112 HB3 GLU 16 1HB GLU 16 -8.218 -6.060 -13.228 113 HG2 GLU 16 2HG GLU 16 -8.196 -3.576 -11.514 114 HG3 GLU 16 1HG GLU 16 -7.671 -3.483 -13.190 115 H LYS 17 H LYS 17 -9.872 -7.816 -11.905 116 HA LYS 17 HA LYS 17 -12.281 -6.588 -11.422 117 HB2 LYS 17 2HB LYS 17 -12.025 -8.677 -12.705 118 HB3 LYS 17 1HB LYS 17 -11.625 -9.549 -11.230 119 HG2 LYS 17 2HG LYS 17 -13.959 -8.993 -10.376 120 HG3 LYS 17 1HG LYS 17 -14.313 -8.346 -11.979 121 HD2 LYS 17 2HD LYS 17 -15.165 -10.629 -11.809 122 HD3 LYS 17 1HD LYS 17 -13.837 -10.583 -12.970 123 HE2 LYS 17 2HE LYS 17 -12.301 -11.475 -11.232 124 HE3 LYS 17 1HE LYS 17 -13.637 -11.527 -10.080 125 HZ1 LYS 17 1HZ LYS 17 -14.749 -13.121 -11.493 126 HZ2 LYS 17 2HZ LYS 17 -13.212 -13.678 -11.069 127 HZ3 LYS 17 3HZ LYS 17 -13.489 -13.058 -12.617 128 H GLU 18 H GLU 18 -10.437 -8.615 -9.182 129 HA GLU 18 HA GLU 18 -12.376 -8.309 -7.002 130 HB2 GLU 18 2HB GLU 18 -9.817 -9.959 -7.219 131 HB3 GLU 18 1HB GLU 18 -10.977 -10.030 -5.890 132 HG2 GLU 18 2HG GLU 18 -12.717 -10.835 -7.460 133 HG3 GLU 18 1HG GLU 18 -11.547 -10.771 -8.777 134 H LEU 19 H LEU 19 -9.222 -7.190 -7.995 135 HA LEU 19 HA LEU 19 -8.351 -6.302 -5.382 136 HB2 LEU 19 2HB LEU 19 -7.158 -6.323 -8.142 137 HB3 LEU 19 1HB LEU 19 -6.527 -5.158 -7.007 138 HG LEU 19 HG LEU 19 -5.134 -7.174 -7.071 139 HD11 LEU 19 1HD1 LEU 19 -6.548 -6.863 -4.407 140 HD12 LEU 19 2HD1 LEU 19 -5.203 -5.888 -5.003 141 HD13 LEU 19 3HD1 LEU 19 -4.962 -7.600 -4.671 142 HD21 LEU 19 1HD2 LEU 19 -5.920 -9.337 -6.198 143 HD22 LEU 19 2HD2 LEU 19 -6.797 -8.863 -7.648 144 HD23 LEU 19 3HD2 LEU 19 -7.563 -8.698 -6.067 145 H ARG 20 H ARG 20 -10.408 -4.947 -7.723 146 HA ARG 20 HA ARG 20 -9.953 -2.188 -6.899 147 HB2 ARG 20 2HB ARG 20 -11.933 -1.663 -8.283 148 HB3 ARG 20 1HB ARG 20 -10.741 -2.608 -9.164 149 HG2 ARG 20 2HG ARG 20 -12.128 -4.654 -8.792 150 HG3 ARG 20 1HG ARG 20 -13.355 -3.647 -8.012 151 HD2 ARG 20 2HD ARG 20 -13.707 -2.406 -10.075 152 HD3 ARG 20 1HD ARG 20 -12.373 -3.257 -10.861 153 HE ARG 20 HE ARG 20 -14.783 -4.701 -9.920 154 HH11 ARG 20 1HH1 ARG 20 -12.505 -3.980 -12.493 155 HH12 ARG 20 2HH1 ARG 20 -13.277 -5.037 -13.631 156 HH21 ARG 20 1HH2 ARG 20 -15.769 -6.094 -11.400 157 HH22 ARG 20 2HH2 ARG 20 -15.127 -6.253 -13.003 158 H LYS 21 H LYS 21 -11.716 -4.912 -5.767 159 HA LYS 21 HA LYS 21 -13.565 -3.420 -4.063 160 HB2 LYS 21 2HB LYS 21 -14.365 -5.521 -5.014 161 HB3 LYS 21 1HB LYS 21 -12.972 -6.394 -4.397 162 HG2 LYS 21 2HG LYS 21 -15.051 -6.864 -3.122 163 HG3 LYS 21 1HG LYS 21 -13.772 -6.191 -2.114 164 HD2 LYS 21 2HD LYS 21 -15.973 -5.233 -1.537 165 HD3 LYS 21 1HD LYS 21 -14.876 -3.991 -2.139 166 HE2 LYS 21 2HE LYS 21 -16.009 -4.105 -4.349 167 HE3 LYS 21 1HE LYS 21 -17.115 -5.320 -3.706 168 HZ1 LYS 21 1HZ LYS 21 -18.035 -3.068 -3.696 169 HZ2 LYS 21 2HZ LYS 21 -16.823 -2.577 -2.624 170 HZ3 LYS 21 3HZ LYS 21 -17.956 -3.739 -2.147 171 H GLU 22 H GLU 22 -13.246 -3.021 -1.940 172 HA GLU 22 HA GLU 22 -12.401 -2.766 0.118 173 HB2 GLU 22 2HB GLU 22 -10.555 -5.089 -0.551 174 HB3 GLU 22 1HB GLU 22 -10.659 -4.330 1.037 175 HG2 GLU 22 2HG GLU 22 -13.001 -5.013 1.247 176 HG3 GLU 22 1HG GLU 22 -12.971 -5.700 -0.377 177 H ASN 23 H ASN 23 -9.723 -3.324 -2.195 178 HA ASN 23 HA ASN 23 -8.038 -1.229 -1.255 179 HB2 ASN 23 2HB ASN 23 -8.183 -2.411 -4.074 180 HB3 ASN 23 1HB ASN 23 -6.833 -1.509 -3.396 181 HD21 ASN 23 1HD2 ASN 23 -5.560 -2.499 -1.783 182 HD22 ASN 23 2HD2 ASN 23 -5.512 -4.218 -1.613 183 H ARG 24 H ARG 24 -7.703 0.809 -2.166 184 HA ARG 24 HA ARG 24 -10.147 2.207 -2.855 185 HB2 ARG 24 2HB ARG 24 -7.322 3.358 -2.599 186 HB3 ARG 24 1HB ARG 24 -8.826 4.267 -2.636 187 HG2 ARG 24 2HG ARG 24 -8.168 4.291 -0.373 188 HG3 ARG 24 1HG ARG 24 -9.438 3.068 -0.434 189 HD2 ARG 24 2HD ARG 24 -7.707 1.300 -0.496 190 HD3 ARG 24 1HD ARG 24 -6.445 2.533 -0.439 191 HE ARG 24 HE ARG 24 -8.067 2.921 1.793 192 HH11 ARG 24 1HH1 ARG 24 -5.943 0.396 0.581 193 HH12 ARG 24 2HH1 ARG 24 -5.485 -0.130 2.167 194 HH21 ARG 24 1HH2 ARG 24 -7.409 2.234 3.859 195 HH22 ARG 24 2HH2 ARG 24 -6.302 0.905 4.003 196 H ARG 25 H ARG 25 -6.948 1.642 -4.345 197 HA ARG 25 HA ARG 25 -8.020 1.578 -7.006 198 HB2 ARG 25 2HB ARG 25 -7.833 4.046 -6.604 199 HB3 ARG 25 1HB ARG 25 -6.109 3.851 -6.296 200 HG2 ARG 25 2HG ARG 25 -5.769 3.077 -8.618 201 HG3 ARG 25 1HG ARG 25 -7.502 3.214 -8.924 202 HD2 ARG 25 2HD ARG 25 -7.300 5.684 -8.357 203 HD3 ARG 25 1HD ARG 25 -5.546 5.462 -8.358 204 HE ARG 25 HE ARG 25 -6.458 4.474 -10.788 205 HH11 ARG 25 1HH1 ARG 25 -6.418 7.591 -9.172 206 HH12 ARG 25 2HH1 ARG 25 -6.460 8.487 -10.652 207 HH21 ARG 25 1HH2 ARG 25 -6.518 5.653 -12.703 208 HH22 ARG 25 2HH2 ARG 25 -6.532 7.386 -12.658 209 H VAL 26 H VAL 26 -6.799 0.129 -8.144 210 HA VAL 26 HA VAL 26 -4.019 -0.419 -7.330 211 HB VAL 26 HB VAL 26 -4.150 -2.402 -8.793 212 HG11 VAL 26 1HG1 VAL 26 -5.691 -3.713 -7.460 213 HG12 VAL 26 2HG1 VAL 26 -6.558 -2.272 -6.942 214 HG13 VAL 26 3HG1 VAL 26 -4.896 -2.539 -6.422 215 HG21 VAL 26 1HG2 VAL 26 -6.286 -3.113 -9.866 216 HG22 VAL 26 2HG2 VAL 26 -5.690 -1.604 -10.555 217 HG23 VAL 26 3HG2 VAL 26 -7.026 -1.577 -9.404 218 H THR 27 H THR 27 -2.312 0.177 -8.523 219 HA THR 27 HA THR 27 -2.666 1.228 -11.265 220 HB THR 27 HB THR 27 -1.003 2.495 -9.029 221 HG1 THR 27 HG1 THR 27 -2.572 3.924 -8.896 222 HG21 THR 27 1HG2 THR 27 -1.277 3.391 -11.925 223 HG22 THR 27 2HG2 THR 27 0.182 2.711 -11.197 224 HG23 THR 27 3HG2 THR 27 -0.439 4.270 -10.648 225 H VAL 28 H VAL 28 -1.401 0.167 -12.656 226 HA VAL 28 HA VAL 28 0.691 -1.633 -11.793 227 HB VAL 28 HB VAL 28 -0.840 -2.220 -13.671 228 HG11 VAL 28 1HG1 VAL 28 0.562 -0.033 -15.252 229 HG12 VAL 28 2HG1 VAL 28 -1.119 -0.007 -14.718 230 HG13 VAL 28 3HG1 VAL 28 -0.592 -1.196 -15.912 231 HG21 VAL 28 1HG2 VAL 28 1.326 -3.374 -13.536 232 HG22 VAL 28 2HG2 VAL 28 2.087 -2.102 -14.493 233 HG23 VAL 28 3HG2 VAL 28 0.868 -3.144 -15.227 234 H THR 29 H THR 29 2.936 -1.469 -12.315 235 HA THR 29 HA THR 29 4.105 1.132 -12.502 236 HB THR 29 HB THR 29 5.268 -0.814 -11.424 237 HG1 THR 29 HG1 THR 29 7.020 0.284 -11.827 238 HG21 THR 29 1HG2 THR 29 4.678 -2.581 -13.066 239 HG22 THR 29 2HG2 THR 29 6.422 -2.493 -12.805 240 HG23 THR 29 3HG2 THR 29 5.712 -1.800 -14.265 241 H GLN 30 H GLN 30 5.480 1.887 -14.321 242 HA GLN 30 HA GLN 30 4.063 1.549 -16.823 243 HB2 GLN 30 2HB GLN 30 4.788 3.802 -16.022 244 HB3 GLN 30 1HB GLN 30 6.471 3.317 -16.203 245 HG2 GLN 30 2HG GLN 30 6.228 3.142 -18.607 246 HG3 GLN 30 1HG GLN 30 4.486 3.386 -18.502 247 HE21 GLN 30 1HE2 GLN 30 4.530 5.163 -19.887 248 HE22 GLN 30 2HE2 GLN 30 5.215 6.684 -19.439 249 H GLU 31 H GLU 31 4.623 -0.726 -17.011 250 HA GLU 31 HA GLU 31 5.544 -2.430 -18.168 251 HB2 GLU 31 2HB GLU 31 5.402 -0.577 -19.935 252 HB3 GLU 31 1HB GLU 31 7.117 -0.295 -19.671 253 HG2 GLU 31 2HG GLU 31 7.524 -2.701 -20.362 254 HG3 GLU 31 1HG GLU 31 5.815 -2.799 -20.788 255 H ASN 32 H ASN 32 7.131 -1.197 -15.765 256 HA ASN 32 HA ASN 32 9.921 -1.588 -16.347 257 HB2 ASN 32 2HB ASN 32 8.466 -1.148 -13.706 258 HB3 ASN 32 1HB ASN 32 10.217 -1.285 -13.838 259 HD21 ASN 32 1HD2 ASN 32 7.458 0.745 -14.458 260 HD22 ASN 32 2HD2 ASN 32 8.340 2.165 -14.885 261 H GLY 33 H GLY 33 10.142 -3.645 -17.112 262 HA2 GLY 33 2HA GLY 33 10.866 -5.814 -16.925 263 HA3 GLY 33 1HA GLY 33 10.618 -5.723 -15.190 264 H ARG 34 H ARG 34 8.638 -6.340 -14.316 265 HA ARG 34 HA ARG 34 6.897 -8.010 -16.005 266 HB2 ARG 34 2HB ARG 34 7.876 -8.795 -13.764 267 HB3 ARG 34 1HB ARG 34 6.834 -7.619 -12.977 268 HG2 ARG 34 2HG ARG 34 5.772 -9.761 -12.817 269 HG3 ARG 34 1HG ARG 34 4.845 -8.805 -13.974 270 HD2 ARG 34 2HD ARG 34 5.089 -11.097 -14.793 271 HD3 ARG 34 1HD ARG 34 5.992 -9.998 -15.837 272 HE ARG 34 HE ARG 34 7.856 -10.818 -14.065 273 HH11 ARG 34 1HH1 ARG 34 5.677 -12.637 -16.134 274 HH12 ARG 34 2HH1 ARG 34 6.775 -13.971 -16.278 275 HH21 ARG 34 1HH2 ARG 34 9.250 -12.567 -14.260 276 HH22 ARG 34 2HH2 ARG 34 8.800 -13.919 -15.252 277 H TRP 35 H TRP 35 4.614 -7.591 -16.154 278 HA TRP 35 HA TRP 35 3.696 -4.859 -15.720 279 HB2 TRP 35 2HB TRP 35 3.081 -6.216 -17.763 280 HB3 TRP 35 1HB TRP 35 2.179 -7.316 -16.734 281 HD1 TRP 35 HD1 TRP 35 -0.219 -6.450 -15.821 282 HE1 TRP 35 HE1 TRP 35 -1.786 -4.590 -16.647 283 HE3 TRP 35 HE3 TRP 35 3.076 -3.868 -18.759 284 HZ2 TRP 35 HZ2 TRP 35 -1.655 -2.328 -18.313 285 HZ3 TRP 35 HZ3 TRP 35 2.274 -1.861 -19.946 286 HH2 TRP 35 HH2 TRP 35 -0.048 -1.106 -19.728 287 H ARG 36 H ARG 36 4.014 -4.886 -13.437 288 HA ARG 36 HA ARG 36 2.414 -6.743 -11.790 289 HB2 ARG 36 2HB ARG 36 4.035 -5.891 -9.928 290 HB3 ARG 36 1HB ARG 36 4.654 -6.994 -11.153 291 HG2 ARG 36 2HG ARG 36 5.476 -4.940 -12.401 292 HG3 ARG 36 1HG ARG 36 5.103 -4.014 -10.953 293 HD2 ARG 36 2HD ARG 36 6.751 -5.194 -9.666 294 HD3 ARG 36 1HD ARG 36 6.968 -6.405 -10.941 295 HE ARG 36 HE ARG 36 7.624 -4.133 -12.222 296 HH11 ARG 36 1HH1 ARG 36 8.729 -5.379 -9.125 297 HH12 ARG 36 2HH1 ARG 36 10.301 -4.669 -9.274 298 HH21 ARG 36 1HH2 ARG 36 9.682 -3.248 -12.409 299 HH22 ARG 36 2HH2 ARG 36 10.844 -3.462 -11.142 300 H VAL 37 H VAL 37 0.541 -5.963 -11.375 301 HA VAL 37 HA VAL 37 -0.121 -3.158 -11.187 302 HB VAL 37 HB VAL 37 -1.949 -5.545 -10.651 303 HG11 VAL 37 1HG1 VAL 37 -2.589 -2.659 -11.393 304 HG12 VAL 37 2HG1 VAL 37 -2.845 -3.405 -9.815 305 HG13 VAL 37 3HG1 VAL 37 -3.778 -3.950 -11.210 306 HG21 VAL 37 1HG2 VAL 37 -2.689 -5.349 -13.018 307 HG22 VAL 37 2HG2 VAL 37 -0.981 -5.779 -12.910 308 HG23 VAL 37 3HG2 VAL 37 -1.451 -4.124 -13.304 309 H THR 38 H THR 38 0.546 -2.166 -9.365 310 HA THR 38 HA THR 38 0.735 -3.528 -6.807 311 HB THR 38 HB THR 38 1.194 -0.566 -7.383 312 HG1 THR 38 HG1 THR 38 2.514 -2.704 -8.325 313 HG21 THR 38 1HG2 THR 38 1.150 -1.158 -4.967 314 HG22 THR 38 2HG2 THR 38 2.769 -0.683 -5.486 315 HG23 THR 38 3HG2 THR 38 2.381 -2.389 -5.249 316 H TRP 39 H TRP 39 -0.942 -3.651 -5.402 317 HA TRP 39 HA TRP 39 -3.311 -2.011 -5.769 318 HB2 TRP 39 2HB TRP 39 -4.333 -3.404 -3.987 319 HB3 TRP 39 1HB TRP 39 -3.707 -4.355 -5.321 320 HD1 TRP 39 HD1 TRP 39 -1.936 -6.220 -4.756 321 HE1 TRP 39 HE1 TRP 39 -0.958 -7.149 -2.566 322 HE3 TRP 39 HE3 TRP 39 -3.529 -2.589 -1.501 323 HZ2 TRP 39 HZ2 TRP 39 -0.878 -6.470 0.151 324 HZ3 TRP 39 HZ3 TRP 39 -2.952 -2.811 0.878 325 HH2 TRP 39 HH2 TRP 39 -1.653 -4.712 1.689 326 H ASP 40 H ASP 40 -4.209 -0.665 -4.248 327 HA ASP 40 HA ASP 40 -2.948 -0.253 -1.670 328 HB2 ASP 40 2HB ASP 40 -1.851 1.470 -3.122 329 HB3 ASP 40 1HB ASP 40 -3.433 2.087 -3.593 Start of MODEL 16 1 HA THR 1 HA THR 1 2.483 -2.105 -2.308 2 HB THR 1 HB THR 1 4.988 -1.369 -0.701 3 HG1 THR 1 HG1 THR 1 3.324 0.705 -1.369 4 HG21 THR 1 1HG2 THR 1 5.307 -1.409 -3.162 5 HG22 THR 1 2HG2 THR 1 5.409 0.232 -2.522 6 HG23 THR 1 3HG2 THR 1 3.944 -0.300 -3.348 7 H GLN 2 H GLN 2 2.475 -4.257 -3.025 8 HA GLN 2 HA GLN 2 4.817 -5.985 -2.503 9 HB2 GLN 2 2HB GLN 2 2.216 -6.920 -3.805 10 HB3 GLN 2 1HB GLN 2 3.416 -7.878 -2.942 11 HG2 GLN 2 2HG GLN 2 1.387 -5.961 -1.742 12 HG3 GLN 2 1HG GLN 2 1.391 -7.721 -1.621 13 HE21 GLN 2 1HE2 GLN 2 1.437 -5.601 0.442 14 HE22 GLN 2 2HE2 GLN 2 2.796 -5.966 1.448 15 H THR 3 H THR 3 6.321 -5.547 -4.043 16 HA THR 3 HA THR 3 5.767 -4.601 -6.674 17 HB THR 3 HB THR 3 8.258 -4.995 -7.027 18 HG1 THR 3 HG1 THR 3 8.657 -5.431 -4.312 19 HG21 THR 3 1HG2 THR 3 8.990 -3.224 -5.470 20 HG22 THR 3 2HG2 THR 3 7.514 -3.418 -4.525 21 HG23 THR 3 3HG2 THR 3 7.426 -2.812 -6.181 22 H GLN 4 H GLN 4 4.550 -5.980 -7.866 23 HA GLN 4 HA GLN 4 5.463 -8.765 -8.326 24 HB2 GLN 4 2HB GLN 4 2.594 -7.810 -7.870 25 HB3 GLN 4 1HB GLN 4 3.050 -9.439 -8.361 26 HG2 GLN 4 2HG GLN 4 3.771 -8.109 -5.733 27 HG3 GLN 4 1HG GLN 4 2.514 -9.317 -5.970 28 HE21 GLN 4 1HE2 GLN 4 4.118 -11.006 -7.736 29 HE22 GLN 4 2HE2 GLN 4 5.305 -11.771 -6.748 30 H GLU 5 H GLU 5 5.067 -9.594 -10.384 31 HA GLU 5 HA GLU 5 4.288 -7.641 -12.476 32 HB2 GLU 5 2HB GLU 5 5.817 -8.800 -14.027 33 HB3 GLU 5 1HB GLU 5 6.680 -8.139 -12.652 34 HG2 GLU 5 2HG GLU 5 5.929 -11.072 -12.904 35 HG3 GLU 5 1HG GLU 5 7.454 -10.407 -13.476 36 H PHE 6 H PHE 6 2.397 -8.150 -13.410 37 HA PHE 6 HA PHE 6 1.627 -11.009 -13.751 38 HB2 PHE 6 2HB PHE 6 -0.289 -8.647 -13.390 39 HB3 PHE 6 1HB PHE 6 -0.725 -10.347 -13.519 40 HD1 PHE 6 HD1 PHE 6 0.539 -7.715 -11.300 41 HD2 PHE 6 HD2 PHE 6 -0.348 -11.884 -11.605 42 HE1 PHE 6 HE1 PHE 6 0.565 -7.911 -8.852 43 HE2 PHE 6 HE2 PHE 6 -0.302 -12.073 -9.154 44 HZ PHE 6 HZ PHE 6 0.148 -10.087 -7.775 45 H ASP 7 H ASP 7 2.216 -11.317 -15.831 46 HA ASP 7 HA ASP 7 1.376 -9.453 -17.965 47 HB2 ASP 7 2HB ASP 7 3.705 -9.455 -18.877 48 HB3 ASP 7 1HB ASP 7 3.613 -8.707 -17.286 49 H ASN 8 H ASN 8 1.680 -12.611 -16.851 50 HA ASN 8 HA ASN 8 2.228 -13.945 -19.346 51 HB2 ASN 8 2HB ASN 8 2.833 -15.078 -17.301 52 HB3 ASN 8 1HB ASN 8 1.191 -14.955 -16.669 53 HD21 ASN 8 1HD2 ASN 8 3.228 -16.547 -19.058 54 HD22 ASN 8 2HD2 ASN 8 2.185 -17.896 -19.329 55 H GLU 9 H GLU 9 -0.712 -14.043 -17.301 56 HA GLU 9 HA GLU 9 -2.404 -14.054 -19.747 57 HB2 GLU 9 2HB GLU 9 -2.385 -16.221 -18.413 58 HB3 GLU 9 1HB GLU 9 -3.079 -15.345 -17.053 59 HG2 GLU 9 2HG GLU 9 -5.070 -14.807 -18.494 60 HG3 GLU 9 1HG GLU 9 -4.374 -15.811 -19.766 61 H GLU 10 H GLU 10 -1.348 -12.007 -17.508 62 HA GLU 10 HA GLU 10 -1.987 -10.002 -16.667 63 HB2 GLU 10 2HB GLU 10 -2.851 -9.599 -18.943 64 HB3 GLU 10 1HB GLU 10 -4.386 -10.334 -18.497 65 HG2 GLU 10 2HG GLU 10 -4.590 -8.478 -16.736 66 HG3 GLU 10 1HG GLU 10 -3.230 -7.699 -17.558 67 H GLU 11 H GLU 11 -2.175 -11.476 -14.749 68 HA GLU 11 HA GLU 11 -4.775 -12.036 -13.641 69 HB2 GLU 11 2HB GLU 11 -2.096 -11.875 -12.221 70 HB3 GLU 11 1HB GLU 11 -3.553 -12.658 -11.615 71 HG2 GLU 11 2HG GLU 11 -3.432 -14.320 -13.403 72 HG3 GLU 11 1HG GLU 11 -2.026 -13.511 -14.095 73 H ALA 12 H ALA 12 -2.942 -9.235 -13.986 74 HA ALA 12 HA ALA 12 -3.377 -7.704 -11.680 75 HB1 ALA 12 1HB ALA 12 -2.829 -5.790 -13.135 76 HB2 ALA 12 2HB ALA 12 -3.067 -6.796 -14.567 77 HB3 ALA 12 3HB ALA 12 -1.747 -7.149 -13.450 78 H ARG 13 H ARG 13 -5.027 -7.344 -14.832 79 HA ARG 13 HA ARG 13 -7.120 -5.697 -13.744 80 HB2 ARG 13 2HB ARG 13 -6.885 -6.881 -16.523 81 HB3 ARG 13 1HB ARG 13 -7.983 -5.594 -16.019 82 HG2 ARG 13 2HG ARG 13 -5.763 -4.347 -15.317 83 HG3 ARG 13 1HG ARG 13 -4.988 -5.514 -16.403 84 HD2 ARG 13 2HD ARG 13 -7.257 -3.660 -17.191 85 HD3 ARG 13 1HD ARG 13 -5.549 -3.313 -17.470 86 HE ARG 13 HE ARG 13 -6.426 -5.824 -18.578 87 HH11 ARG 13 1HH1 ARG 13 -6.245 -2.401 -19.295 88 HH12 ARG 13 2HH1 ARG 13 -6.182 -2.653 -21.009 89 HH21 ARG 13 1HH2 ARG 13 -6.280 -6.137 -20.804 90 HH22 ARG 13 2HH2 ARG 13 -6.202 -4.767 -21.868 91 H LYS 14 H LYS 14 -6.724 -9.089 -14.464 92 HA LYS 14 HA LYS 14 -9.355 -10.048 -14.277 93 HB2 LYS 14 2HB LYS 14 -7.637 -11.587 -14.923 94 HB3 LYS 14 1HB LYS 14 -6.653 -11.216 -13.514 95 HG2 LYS 14 2HG LYS 14 -8.253 -12.381 -12.058 96 HG3 LYS 14 1HG LYS 14 -9.298 -12.715 -13.439 97 HD2 LYS 14 2HD LYS 14 -7.635 -14.194 -14.417 98 HD3 LYS 14 1HD LYS 14 -6.436 -13.731 -13.204 99 HE2 LYS 14 2HE LYS 14 -7.487 -15.968 -12.772 100 HE3 LYS 14 1HE LYS 14 -7.700 -14.825 -11.448 101 HZ1 LYS 14 1HZ LYS 14 -9.724 -16.067 -11.949 102 HZ2 LYS 14 2HZ LYS 14 -9.750 -15.429 -13.514 103 HZ3 LYS 14 3HZ LYS 14 -9.947 -14.408 -12.181 104 H ALA 15 H ALA 15 -6.922 -9.558 -11.715 105 HA ALA 15 HA ALA 15 -8.579 -10.267 -9.515 106 HB1 ALA 15 1HB ALA 15 -6.117 -10.378 -9.391 107 HB2 ALA 15 2HB ALA 15 -6.774 -9.366 -8.104 108 HB3 ALA 15 3HB ALA 15 -6.017 -8.620 -9.516 109 H GLU 16 H GLU 16 -7.859 -7.233 -11.171 110 HA GLU 16 HA GLU 16 -8.785 -5.401 -9.251 111 HB2 GLU 16 2HB GLU 16 -7.383 -4.752 -11.190 112 HB3 GLU 16 1HB GLU 16 -8.724 -5.092 -12.276 113 HG2 GLU 16 2HG GLU 16 -10.031 -3.259 -11.271 114 HG3 GLU 16 1HG GLU 16 -8.715 -2.930 -10.142 115 H LYS 17 H LYS 17 -10.559 -7.328 -11.592 116 HA LYS 17 HA LYS 17 -13.066 -6.016 -11.545 117 HB2 LYS 17 2HB LYS 17 -12.444 -8.967 -11.914 118 HB3 LYS 17 1HB LYS 17 -13.997 -8.212 -12.283 119 HG2 LYS 17 2HG LYS 17 -12.837 -6.783 -13.991 120 HG3 LYS 17 1HG LYS 17 -11.340 -7.653 -13.645 121 HD2 LYS 17 2HD LYS 17 -12.394 -8.562 -15.658 122 HD3 LYS 17 1HD LYS 17 -12.399 -9.775 -14.373 123 HE2 LYS 17 2HE LYS 17 -14.768 -9.261 -13.891 124 HE3 LYS 17 1HE LYS 17 -14.763 -8.014 -15.141 125 HZ1 LYS 17 1HZ LYS 17 -14.294 -9.731 -16.777 126 HZ2 LYS 17 2HZ LYS 17 -15.738 -10.037 -15.949 127 HZ3 LYS 17 3HZ LYS 17 -14.346 -10.916 -15.568 128 H GLU 18 H GLU 18 -11.546 -8.160 -9.284 129 HA GLU 18 HA GLU 18 -13.904 -8.483 -7.570 130 HB2 GLU 18 2HB GLU 18 -11.022 -9.441 -7.202 131 HB3 GLU 18 1HB GLU 18 -12.423 -9.959 -6.259 132 HG2 GLU 18 2HG GLU 18 -13.363 -11.128 -8.143 133 HG3 GLU 18 1HG GLU 18 -12.173 -10.436 -9.250 134 H LEU 19 H LEU 19 -10.734 -6.934 -7.636 135 HA LEU 19 HA LEU 19 -10.639 -6.051 -4.953 136 HB2 LEU 19 2HB LEU 19 -8.977 -5.613 -7.413 137 HB3 LEU 19 1HB LEU 19 -8.789 -4.442 -6.127 138 HG LEU 19 HG LEU 19 -8.063 -6.176 -4.566 139 HD11 LEU 19 1HD1 LEU 19 -7.631 -8.488 -5.223 140 HD12 LEU 19 2HD1 LEU 19 -8.348 -8.187 -6.808 141 HD13 LEU 19 3HD1 LEU 19 -9.346 -8.100 -5.355 142 HD21 LEU 19 1HD2 LEU 19 -5.892 -6.731 -5.585 143 HD22 LEU 19 2HD2 LEU 19 -6.353 -5.063 -5.917 144 HD23 LEU 19 3HD2 LEU 19 -6.518 -6.289 -7.177 145 H ARG 20 H ARG 20 -12.046 -4.664 -7.830 146 HA ARG 20 HA ARG 20 -12.178 -1.933 -7.116 147 HB2 ARG 20 2HB ARG 20 -14.036 -1.757 -8.751 148 HB3 ARG 20 1HB ARG 20 -12.666 -2.656 -9.404 149 HG2 ARG 20 2HG ARG 20 -13.817 -4.759 -9.141 150 HG3 ARG 20 1HG ARG 20 -15.122 -3.999 -8.222 151 HD2 ARG 20 2HD ARG 20 -14.485 -3.404 -11.139 152 HD3 ARG 20 1HD ARG 20 -15.760 -4.493 -10.576 153 HE ARG 20 HE ARG 20 -16.637 -2.444 -9.344 154 HH11 ARG 20 1HH1 ARG 20 -14.962 -2.162 -12.417 155 HH12 ARG 20 2HH1 ARG 20 -15.793 -0.705 -12.861 156 HH21 ARG 20 1HH2 ARG 20 -17.687 -0.530 -9.917 157 HH22 ARG 20 2HH2 ARG 20 -17.321 0.232 -11.436 158 H LYS 21 H LYS 21 -14.087 -4.670 -6.125 159 HA LYS 21 HA LYS 21 -16.308 -3.366 -4.946 160 HB2 LYS 21 2HB LYS 21 -16.388 -5.743 -5.435 161 HB3 LYS 21 1HB LYS 21 -14.978 -6.060 -4.429 162 HG2 LYS 21 2HG LYS 21 -16.286 -5.461 -2.413 163 HG3 LYS 21 1HG LYS 21 -17.702 -5.161 -3.427 164 HD2 LYS 21 2HD LYS 21 -17.728 -7.536 -4.103 165 HD3 LYS 21 1HD LYS 21 -16.271 -7.835 -3.154 166 HE2 LYS 21 2HE LYS 21 -18.329 -8.588 -1.996 167 HE3 LYS 21 1HE LYS 21 -17.472 -7.344 -1.088 168 HZ1 LYS 21 1HZ LYS 21 -19.057 -5.706 -1.886 169 HZ2 LYS 21 2HZ LYS 21 -19.875 -6.983 -1.134 170 HZ3 LYS 21 3HZ LYS 21 -19.844 -6.875 -2.818 171 H GLU 22 H GLU 22 -13.120 -4.295 -3.694 172 HA GLU 22 HA GLU 22 -13.712 -3.055 -1.068 173 HB2 GLU 22 2HB GLU 22 -13.130 -5.464 -0.994 174 HB3 GLU 22 1HB GLU 22 -11.620 -5.143 -1.837 175 HG2 GLU 22 2HG GLU 22 -10.832 -3.807 0.107 176 HG3 GLU 22 1HG GLU 22 -12.347 -4.156 0.945 177 H ASN 23 H ASN 23 -10.621 -3.671 -2.850 178 HA ASN 23 HA ASN 23 -9.918 -0.826 -2.778 179 HB2 ASN 23 2HB ASN 23 -9.344 -1.798 -0.504 180 HB3 ASN 23 1HB ASN 23 -8.227 -2.903 -1.303 181 HD21 ASN 23 1HD2 ASN 23 -6.393 -2.099 -0.307 182 HD22 ASN 23 2HD2 ASN 23 -5.768 -0.511 -0.586 183 H ARG 24 H ARG 24 -9.386 -0.635 -4.910 184 HA ARG 24 HA ARG 24 -7.905 -2.770 -6.302 185 HB2 ARG 24 2HB ARG 24 -8.605 -1.573 -8.403 186 HB3 ARG 24 1HB ARG 24 -9.959 -2.133 -7.430 187 HG2 ARG 24 2HG ARG 24 -10.340 0.140 -6.584 188 HG3 ARG 24 1HG ARG 24 -8.928 0.731 -7.464 189 HD2 ARG 24 2HD ARG 24 -11.431 -0.438 -8.744 190 HD3 ARG 24 1HD ARG 24 -11.062 1.284 -8.600 191 HE ARG 24 HE ARG 24 -9.276 -0.551 -10.085 192 HH11 ARG 24 1HH1 ARG 24 -11.172 2.412 -10.024 193 HH12 ARG 24 2HH1 ARG 24 -10.737 2.842 -11.644 194 HH21 ARG 24 1HH2 ARG 24 -8.742 0.059 -12.193 195 HH22 ARG 24 2HH2 ARG 24 -9.383 1.521 -12.871 196 H ARG 25 H ARG 25 -6.162 -1.669 -4.676 197 HA ARG 25 HA ARG 25 -4.716 0.537 -5.941 198 HB2 ARG 25 2HB ARG 25 -4.094 -1.149 -3.476 199 HB3 ARG 25 1HB ARG 25 -3.068 0.163 -4.043 200 HG2 ARG 25 2HG ARG 25 -5.937 0.443 -3.095 201 HG3 ARG 25 1HG ARG 25 -4.495 0.851 -2.160 202 HD2 ARG 25 2HD ARG 25 -3.912 2.587 -3.812 203 HD3 ARG 25 1HD ARG 25 -5.338 2.171 -4.770 204 HE ARG 25 HE ARG 25 -6.245 2.763 -2.213 205 HH11 ARG 25 1HH1 ARG 25 -4.612 4.524 -4.792 206 HH12 ARG 25 2HH1 ARG 25 -5.284 6.054 -4.322 207 HH21 ARG 25 1HH2 ARG 25 -7.082 4.763 -1.606 208 HH22 ARG 25 2HH2 ARG 25 -6.685 6.191 -2.515 209 H VAL 26 H VAL 26 -4.827 -1.237 -7.857 210 HA VAL 26 HA VAL 26 -2.299 -2.771 -7.927 211 HB VAL 26 HB VAL 26 -3.304 -3.679 -10.155 212 HG11 VAL 26 1HG1 VAL 26 -4.671 -5.391 -8.996 213 HG12 VAL 26 2HG1 VAL 26 -4.702 -4.393 -7.539 214 HG13 VAL 26 3HG1 VAL 26 -3.173 -5.053 -8.126 215 HG21 VAL 26 1HG2 VAL 26 -5.888 -2.531 -8.999 216 HG22 VAL 26 2HG2 VAL 26 -5.775 -3.616 -10.388 217 HG23 VAL 26 3HG2 VAL 26 -5.088 -1.997 -10.479 218 H THR 27 H THR 27 -0.731 -1.339 -8.390 219 HA THR 27 HA THR 27 -1.130 0.779 -10.388 220 HB THR 27 HB THR 27 1.135 0.341 -8.389 221 HG1 THR 27 HG1 THR 27 -0.505 0.999 -7.162 222 HG21 THR 27 1HG2 THR 27 1.913 1.664 -10.352 223 HG22 THR 27 2HG2 THR 27 1.811 2.668 -8.906 224 HG23 THR 27 3HG2 THR 27 0.558 2.777 -10.143 225 H VAL 28 H VAL 28 -0.766 0.026 -12.414 226 HA VAL 28 HA VAL 28 1.385 -1.871 -12.957 227 HB VAL 28 HB VAL 28 -0.681 -2.344 -14.092 228 HG11 VAL 28 1HG1 VAL 28 -1.739 -0.884 -15.765 229 HG12 VAL 28 2HG1 VAL 28 -0.574 0.392 -15.404 230 HG13 VAL 28 3HG1 VAL 28 -1.722 -0.130 -14.169 231 HG21 VAL 28 1HG2 VAL 28 1.392 -2.910 -15.299 232 HG22 VAL 28 2HG2 VAL 28 1.376 -1.342 -16.108 233 HG23 VAL 28 3HG2 VAL 28 0.101 -2.514 -16.436 234 H THR 29 H THR 29 3.169 -0.694 -12.517 235 HA THR 29 HA THR 29 3.885 1.694 -14.000 236 HB THR 29 HB THR 29 5.676 -0.073 -12.270 237 HG1 THR 29 HG1 THR 29 4.472 0.630 -10.691 238 HG21 THR 29 1HG2 THR 29 5.943 2.869 -13.059 239 HG22 THR 29 2HG2 THR 29 6.918 1.543 -13.698 240 HG23 THR 29 3HG2 THR 29 7.036 1.976 -11.994 241 H GLN 30 H GLN 30 5.118 1.722 -15.838 242 HA GLN 30 HA GLN 30 5.743 -0.798 -17.216 243 HB2 GLN 30 2HB GLN 30 5.960 0.534 -19.244 244 HB3 GLN 30 1HB GLN 30 4.463 0.966 -18.434 245 HG2 GLN 30 2HG GLN 30 7.014 2.620 -18.323 246 HG3 GLN 30 1HG GLN 30 5.691 2.898 -19.454 247 HE21 GLN 30 1HE2 GLN 30 3.689 3.685 -18.624 248 HE22 GLN 30 2HE2 GLN 30 3.605 4.494 -17.099 249 H GLU 31 H GLU 31 7.322 -0.032 -14.937 250 HA GLU 31 HA GLU 31 9.738 1.285 -15.389 251 HB2 GLU 31 2HB GLU 31 8.863 0.686 -13.153 252 HB3 GLU 31 1HB GLU 31 9.099 -1.021 -13.492 253 HG2 GLU 31 2HG GLU 31 10.836 -0.172 -12.002 254 HG3 GLU 31 1HG GLU 31 11.531 -0.709 -13.530 255 H ASN 32 H ASN 32 9.088 -2.210 -15.435 256 HA ASN 32 HA ASN 32 11.652 -2.948 -16.547 257 HB2 ASN 32 2HB ASN 32 9.104 -4.599 -16.221 258 HB3 ASN 32 1HB ASN 32 10.718 -5.239 -16.531 259 HD21 ASN 32 1HD2 ASN 32 12.206 -5.339 -14.827 260 HD22 ASN 32 2HD2 ASN 32 11.757 -5.053 -13.180 261 H GLY 33 H GLY 33 8.797 -1.735 -17.865 262 HA2 GLY 33 2HA GLY 33 8.252 -1.396 -20.127 263 HA3 GLY 33 1HA GLY 33 9.303 -2.732 -20.589 264 H ARG 34 H ARG 34 8.233 -4.419 -18.434 265 HA ARG 34 HA ARG 34 5.911 -5.550 -19.770 266 HB2 ARG 34 2HB ARG 34 7.544 -6.522 -17.364 267 HB3 ARG 34 1HB ARG 34 6.201 -7.410 -18.070 268 HG2 ARG 34 2HG ARG 34 8.188 -8.432 -18.899 269 HG3 ARG 34 1HG ARG 34 7.523 -7.508 -20.244 270 HD2 ARG 34 2HD ARG 34 9.154 -5.640 -19.551 271 HD3 ARG 34 1HD ARG 34 9.913 -6.845 -18.511 272 HE ARG 34 HE ARG 34 10.230 -8.178 -20.624 273 HH11 ARG 34 1HH1 ARG 34 10.189 -4.666 -20.684 274 HH12 ARG 34 2HH1 ARG 34 11.081 -4.561 -22.167 275 HH21 ARG 34 1HH2 ARG 34 11.412 -8.029 -22.560 276 HH22 ARG 34 2HH2 ARG 34 11.788 -6.472 -23.230 277 H TRP 35 H TRP 35 4.217 -6.489 -18.089 278 HA TRP 35 HA TRP 35 2.978 -4.208 -16.823 279 HB2 TRP 35 2HB TRP 35 2.067 -7.118 -16.822 280 HB3 TRP 35 1HB TRP 35 1.092 -5.722 -16.377 281 HD1 TRP 35 HD1 TRP 35 2.607 -7.465 -19.462 282 HE1 TRP 35 HE1 TRP 35 1.327 -6.707 -21.553 283 HE3 TRP 35 HE3 TRP 35 -0.358 -3.863 -17.358 284 HZ2 TRP 35 HZ2 TRP 35 -0.660 -4.829 -22.243 285 HZ3 TRP 35 HZ3 TRP 35 -1.927 -2.629 -18.801 286 HH2 TRP 35 HH2 TRP 35 -2.076 -3.104 -21.197 287 H ARG 36 H ARG 36 4.752 -3.845 -15.306 288 HA ARG 36 HA ARG 36 4.974 -5.587 -12.970 289 HB2 ARG 36 2HB ARG 36 6.959 -4.312 -13.651 290 HB3 ARG 36 1HB ARG 36 6.074 -2.796 -13.564 291 HG2 ARG 36 2HG ARG 36 7.515 -2.975 -11.634 292 HG3 ARG 36 1HG ARG 36 5.848 -3.088 -11.095 293 HD2 ARG 36 2HD ARG 36 7.309 -4.713 -9.931 294 HD3 ARG 36 1HD ARG 36 6.058 -5.522 -10.884 295 HE ARG 36 HE ARG 36 8.304 -5.312 -12.511 296 HH11 ARG 36 1HH1 ARG 36 7.527 -6.933 -9.483 297 HH12 ARG 36 2HH1 ARG 36 8.558 -8.283 -9.823 298 HH21 ARG 36 1HH2 ARG 36 9.618 -7.066 -12.921 299 HH22 ARG 36 2HH2 ARG 36 9.748 -8.357 -11.766 300 H VAL 37 H VAL 37 3.087 -5.722 -11.999 301 HA VAL 37 HA VAL 37 1.456 -3.305 -11.507 302 HB VAL 37 HB VAL 37 0.496 -6.196 -11.488 303 HG11 VAL 37 1HG1 VAL 37 -1.772 -5.202 -11.572 304 HG12 VAL 37 2HG1 VAL 37 -1.070 -3.585 -11.517 305 HG13 VAL 37 3HG1 VAL 37 -0.891 -4.670 -10.138 306 HG21 VAL 37 1HG2 VAL 37 0.235 -4.170 -13.746 307 HG22 VAL 37 2HG2 VAL 37 -0.451 -5.792 -13.724 308 HG23 VAL 37 3HG2 VAL 37 1.295 -5.580 -13.752 309 H THR 38 H THR 38 2.507 -2.672 -9.691 310 HA THR 38 HA THR 38 2.901 -4.416 -7.412 311 HB THR 38 HB THR 38 3.255 -1.402 -7.760 312 HG1 THR 38 HG1 THR 38 4.634 -3.198 -8.845 313 HG21 THR 38 1HG2 THR 38 4.199 -3.175 -5.470 314 HG22 THR 38 2HG2 THR 38 2.929 -1.952 -5.367 315 HG23 THR 38 3HG2 THR 38 4.598 -1.476 -5.686 316 H TRP 39 H TRP 39 0.974 -5.112 -6.625 317 HA TRP 39 HA TRP 39 -1.191 -3.246 -6.054 318 HB2 TRP 39 2HB TRP 39 -2.477 -5.211 -5.320 319 HB3 TRP 39 1HB TRP 39 -1.817 -5.461 -6.927 320 HD1 TRP 39 HD1 TRP 39 0.231 -7.282 -7.135 321 HE1 TRP 39 HE1 TRP 39 0.720 -9.374 -5.724 322 HE3 TRP 39 HE3 TRP 39 -2.533 -6.140 -2.983 323 HZ2 TRP 39 HZ2 TRP 39 0.071 -10.394 -3.183 324 HZ3 TRP 39 HZ3 TRP 39 -2.543 -7.725 -1.096 325 HH2 TRP 39 HH2 TRP 39 -1.266 -9.812 -1.195 326 H ASP 40 H ASP 40 -1.628 -2.467 -4.029 327 HA ASP 40 HA ASP 40 0.543 -2.389 -2.196 328 HB2 ASP 40 2HB ASP 40 -0.977 -0.460 -2.519 329 HB3 ASP 40 1HB ASP 40 -2.299 -1.376 -1.789 Start of MODEL 17 1 HA THR 1 HA THR 1 4.295 -9.772 -1.406 2 HB THR 1 HB THR 1 4.256 -10.627 -3.795 3 HG1 THR 1 HG1 THR 1 2.566 -12.065 -3.781 4 HG21 THR 1 1HG2 THR 1 6.265 -11.004 -2.416 5 HG22 THR 1 2HG2 THR 1 5.990 -12.363 -3.510 6 HG23 THR 1 3HG2 THR 1 5.566 -12.507 -1.804 7 H GLN 2 H GLN 2 2.931 -8.118 -1.364 8 HA GLN 2 HA GLN 2 0.109 -8.278 -2.130 9 HB2 GLN 2 2HB GLN 2 -0.093 -6.041 -1.307 10 HB3 GLN 2 1HB GLN 2 0.956 -6.883 -0.177 11 HG2 GLN 2 2HG GLN 2 1.934 -4.981 -2.348 12 HG3 GLN 2 1HG GLN 2 1.653 -4.531 -0.670 13 HE21 GLN 2 1HE2 GLN 2 4.105 -4.402 -2.242 14 HE22 GLN 2 2HE2 GLN 2 5.278 -5.326 -1.374 15 H THR 3 H THR 3 2.728 -8.308 -3.930 16 HA THR 3 HA THR 3 1.739 -6.545 -6.053 17 HB THR 3 HB THR 3 3.424 -5.186 -5.010 18 HG1 THR 3 HG1 THR 3 5.147 -5.295 -6.673 19 HG21 THR 3 1HG2 THR 3 4.557 -6.884 -3.623 20 HG22 THR 3 2HG2 THR 3 5.725 -5.924 -4.533 21 HG23 THR 3 3HG2 THR 3 5.325 -7.557 -5.066 22 H GLN 4 H GLN 4 1.408 -7.837 -7.765 23 HA GLN 4 HA GLN 4 2.969 -10.341 -8.034 24 HB2 GLN 4 2HB GLN 4 0.191 -9.716 -9.120 25 HB3 GLN 4 1HB GLN 4 1.043 -11.249 -9.298 26 HG2 GLN 4 2HG GLN 4 -0.054 -10.024 -6.750 27 HG3 GLN 4 1HG GLN 4 -0.608 -11.489 -7.557 28 HE21 GLN 4 1HE2 GLN 4 0.754 -13.362 -7.471 29 HE22 GLN 4 2HE2 GLN 4 1.906 -13.567 -6.201 30 H GLU 5 H GLU 5 4.398 -10.392 -9.623 31 HA GLU 5 HA GLU 5 4.334 -8.452 -11.796 32 HB2 GLU 5 2HB GLU 5 6.536 -9.438 -12.431 33 HB3 GLU 5 1HB GLU 5 6.490 -8.828 -10.784 34 HG2 GLU 5 2HG GLU 5 6.406 -11.069 -9.878 35 HG3 GLU 5 1HG GLU 5 6.200 -11.764 -11.486 36 H PHE 6 H PHE 6 2.767 -8.912 -13.189 37 HA PHE 6 HA PHE 6 2.070 -11.601 -13.997 38 HB2 PHE 6 2HB PHE 6 0.997 -8.891 -14.885 39 HB3 PHE 6 1HB PHE 6 0.337 -10.437 -15.407 40 HD1 PHE 6 HD1 PHE 6 0.216 -7.902 -12.841 41 HD2 PHE 6 HD2 PHE 6 -0.582 -12.040 -13.601 42 HE1 PHE 6 HE1 PHE 6 -1.262 -7.986 -10.869 43 HE2 PHE 6 HE2 PHE 6 -2.057 -12.112 -11.629 44 HZ PHE 6 HZ PHE 6 -2.404 -10.089 -10.265 45 H ASP 7 H ASP 7 2.166 -12.470 -16.028 46 HA ASP 7 HA ASP 7 4.207 -11.668 -17.903 47 HB2 ASP 7 2HB ASP 7 2.117 -13.882 -18.001 48 HB3 ASP 7 1HB ASP 7 3.419 -13.688 -19.172 49 H ASN 8 H ASN 8 1.057 -10.732 -17.382 50 HA ASN 8 HA ASN 8 -0.430 -9.387 -18.369 51 HB2 ASN 8 2HB ASN 8 1.690 -8.203 -19.187 52 HB3 ASN 8 1HB ASN 8 1.472 -9.036 -20.720 53 HD21 ASN 8 1HD2 ASN 8 1.212 -7.061 -21.824 54 HD22 ASN 8 2HD2 ASN 8 -0.218 -6.104 -21.673 55 H GLU 9 H GLU 9 -0.561 -12.192 -18.721 56 HA GLU 9 HA GLU 9 -1.767 -12.581 -21.385 57 HB2 GLU 9 2HB GLU 9 -0.113 -14.267 -20.273 58 HB3 GLU 9 1HB GLU 9 -1.460 -14.722 -19.235 59 HG2 GLU 9 2HG GLU 9 -2.781 -15.329 -21.260 60 HG3 GLU 9 1HG GLU 9 -1.395 -14.926 -22.273 61 H GLU 10 H GLU 10 -3.020 -10.792 -19.568 62 HA GLU 10 HA GLU 10 -5.069 -10.105 -18.975 63 HB2 GLU 10 2HB GLU 10 -5.703 -11.301 -21.113 64 HB3 GLU 10 1HB GLU 10 -6.148 -12.701 -20.146 65 HG2 GLU 10 2HG GLU 10 -7.946 -11.476 -19.090 66 HG3 GLU 10 1HG GLU 10 -7.414 -9.964 -19.823 67 H GLU 11 H GLU 11 -3.364 -11.892 -17.257 68 HA GLU 11 HA GLU 11 -5.271 -13.127 -15.409 69 HB2 GLU 11 2HB GLU 11 -2.234 -12.994 -15.309 70 HB3 GLU 11 1HB GLU 11 -3.256 -13.932 -14.216 71 HG2 GLU 11 2HG GLU 11 -4.038 -15.302 -16.105 72 HG3 GLU 11 1HG GLU 11 -3.049 -14.355 -17.219 73 H ALA 12 H ALA 12 -3.638 -10.127 -15.792 74 HA ALA 12 HA ALA 12 -3.579 -9.240 -13.072 75 HB1 ALA 12 1HB ALA 12 -2.265 -8.115 -14.837 76 HB2 ALA 12 2HB ALA 12 -3.320 -6.974 -14.002 77 HB3 ALA 12 3HB ALA 12 -3.757 -7.569 -15.608 78 H ARG 13 H ARG 13 -6.117 -9.678 -15.359 79 HA ARG 13 HA ARG 13 -8.077 -7.878 -14.288 80 HB2 ARG 13 2HB ARG 13 -8.584 -10.399 -15.915 81 HB3 ARG 13 1HB ARG 13 -9.663 -9.015 -15.737 82 HG2 ARG 13 2HG ARG 13 -7.012 -9.088 -17.224 83 HG3 ARG 13 1HG ARG 13 -8.623 -8.978 -17.932 84 HD2 ARG 13 2HD ARG 13 -7.217 -6.843 -16.272 85 HD3 ARG 13 1HD ARG 13 -7.553 -6.784 -18.004 86 HE ARG 13 HE ARG 13 -9.409 -6.330 -15.810 87 HH11 ARG 13 1HH1 ARG 13 -9.131 -6.809 -19.288 88 HH12 ARG 13 2HH1 ARG 13 -10.674 -6.088 -19.614 89 HH21 ARG 13 1HH2 ARG 13 -11.374 -5.356 -16.265 90 HH22 ARG 13 2HH2 ARG 13 -11.933 -5.249 -17.909 91 H LYS 14 H LYS 14 -7.089 -11.182 -13.652 92 HA LYS 14 HA LYS 14 -9.203 -12.090 -12.022 93 HB2 LYS 14 2HB LYS 14 -7.561 -13.618 -12.989 94 HB3 LYS 14 1HB LYS 14 -6.257 -12.854 -12.088 95 HG2 LYS 14 2HG LYS 14 -7.205 -13.687 -9.980 96 HG3 LYS 14 1HG LYS 14 -8.557 -14.404 -10.860 97 HD2 LYS 14 2HD LYS 14 -6.981 -15.908 -12.048 98 HD3 LYS 14 1HD LYS 14 -5.629 -15.181 -11.171 99 HE2 LYS 14 2HE LYS 14 -6.324 -17.349 -10.194 100 HE3 LYS 14 1HE LYS 14 -6.520 -16.021 -9.050 101 HZ1 LYS 14 1HZ LYS 14 -8.413 -17.544 -9.054 102 HZ2 LYS 14 2HZ LYS 14 -8.712 -17.198 -10.679 103 HZ3 LYS 14 3HZ LYS 14 -8.877 -15.986 -9.514 104 H ALA 15 H ALA 15 -6.228 -10.317 -11.233 105 HA ALA 15 HA ALA 15 -6.742 -10.095 -8.407 106 HB1 ALA 15 1HB ALA 15 -4.928 -8.434 -10.201 107 HB2 ALA 15 2HB ALA 15 -4.457 -9.876 -9.303 108 HB3 ALA 15 3HB ALA 15 -4.926 -8.416 -8.432 109 H GLU 16 H GLU 16 -7.216 -8.050 -11.257 110 HA GLU 16 HA GLU 16 -7.868 -5.626 -10.105 111 HB2 GLU 16 2HB GLU 16 -7.337 -5.943 -12.502 112 HB3 GLU 16 1HB GLU 16 -8.878 -6.759 -12.733 113 HG2 GLU 16 2HG GLU 16 -9.975 -4.551 -11.940 114 HG3 GLU 16 1HG GLU 16 -8.382 -3.823 -12.174 115 H LYS 17 H LYS 17 -10.067 -8.367 -10.786 116 HA LYS 17 HA LYS 17 -12.537 -7.045 -10.609 117 HB2 LYS 17 2HB LYS 17 -13.553 -9.239 -10.208 118 HB3 LYS 17 1HB LYS 17 -12.311 -9.348 -11.451 119 HG2 LYS 17 2HG LYS 17 -10.730 -10.301 -9.806 120 HG3 LYS 17 1HG LYS 17 -11.959 -10.174 -8.545 121 HD2 LYS 17 2HD LYS 17 -13.391 -11.765 -9.808 122 HD3 LYS 17 1HD LYS 17 -12.130 -11.917 -11.037 123 HE2 LYS 17 2HE LYS 17 -10.585 -12.811 -9.296 124 HE3 LYS 17 1HE LYS 17 -11.885 -12.707 -8.105 125 HZ1 LYS 17 1HZ LYS 17 -11.679 -14.926 -8.954 126 HZ2 LYS 17 2HZ LYS 17 -11.853 -14.385 -10.545 127 HZ3 LYS 17 3HZ LYS 17 -13.149 -14.263 -9.467 128 H GLU 18 H GLU 18 -10.514 -8.363 -8.029 129 HA GLU 18 HA GLU 18 -12.311 -7.640 -5.858 130 HB2 GLU 18 2HB GLU 18 -9.435 -8.661 -5.909 131 HB3 GLU 18 1HB GLU 18 -10.359 -8.398 -4.431 132 HG2 GLU 18 2HG GLU 18 -11.136 -10.352 -6.628 133 HG3 GLU 18 1HG GLU 18 -10.251 -10.792 -5.163 134 H LEU 19 H LEU 19 -9.463 -6.404 -7.478 135 HA LEU 19 HA LEU 19 -9.032 -4.227 -5.590 136 HB2 LEU 19 2HB LEU 19 -7.481 -5.324 -7.939 137 HB3 LEU 19 1HB LEU 19 -7.087 -3.748 -7.286 138 HG LEU 19 HG LEU 19 -5.561 -5.379 -6.377 139 HD11 LEU 19 1HD1 LEU 19 -6.186 -3.555 -4.900 140 HD12 LEU 19 2HD1 LEU 19 -5.819 -5.013 -3.984 141 HD13 LEU 19 3HD1 LEU 19 -7.499 -4.521 -4.220 142 HD21 LEU 19 1HD2 LEU 19 -6.859 -7.429 -6.607 143 HD22 LEU 19 2HD2 LEU 19 -7.935 -6.929 -5.303 144 HD23 LEU 19 3HD2 LEU 19 -6.235 -7.278 -4.966 145 H ARG 20 H ARG 20 -11.308 -4.467 -7.785 146 HA ARG 20 HA ARG 20 -11.337 -1.526 -8.158 147 HB2 ARG 20 2HB ARG 20 -12.837 -1.803 -10.075 148 HB3 ARG 20 1HB ARG 20 -11.356 -2.709 -10.363 149 HG2 ARG 20 2HG ARG 20 -12.471 -4.819 -9.908 150 HG3 ARG 20 1HG ARG 20 -13.936 -3.991 -9.373 151 HD2 ARG 20 2HD ARG 20 -12.832 -3.821 -12.207 152 HD3 ARG 20 1HD ARG 20 -14.076 -4.966 -11.691 153 HE ARG 20 HE ARG 20 -15.166 -2.653 -10.913 154 HH11 ARG 20 1HH1 ARG 20 -13.698 -3.436 -14.003 155 HH12 ARG 20 2HH1 ARG 20 -14.764 -2.406 -14.898 156 HH21 ARG 20 1HH2 ARG 20 -16.552 -1.331 -12.079 157 HH22 ARG 20 2HH2 ARG 20 -16.389 -1.203 -13.804 158 H LYS 21 H LYS 21 -12.737 -4.319 -6.764 159 HA LYS 21 HA LYS 21 -15.466 -3.688 -6.610 160 HB2 LYS 21 2HB LYS 21 -14.558 -5.958 -6.298 161 HB3 LYS 21 1HB LYS 21 -13.709 -5.445 -4.846 162 HG2 LYS 21 2HG LYS 21 -15.891 -5.055 -3.718 163 HG3 LYS 21 1HG LYS 21 -16.728 -5.602 -5.171 164 HD2 LYS 21 2HD LYS 21 -16.638 -7.410 -3.510 165 HD3 LYS 21 1HD LYS 21 -15.676 -7.845 -4.930 166 HE2 LYS 21 2HE LYS 21 -13.611 -7.158 -3.710 167 HE3 LYS 21 1HE LYS 21 -14.589 -6.782 -2.287 168 HZ1 LYS 21 1HZ LYS 21 -14.334 -9.442 -3.561 169 HZ2 LYS 21 2HZ LYS 21 -15.242 -9.084 -2.180 170 HZ3 LYS 21 3HZ LYS 21 -13.561 -8.942 -2.139 171 H GLU 22 H GLU 22 -13.098 -3.616 -3.910 172 HA GLU 22 HA GLU 22 -14.389 -1.201 -2.780 173 HB2 GLU 22 2HB GLU 22 -13.720 -3.742 -1.219 174 HB3 GLU 22 1HB GLU 22 -14.133 -2.200 -0.469 175 HG2 GLU 22 2HG GLU 22 -16.347 -2.263 -1.577 176 HG3 GLU 22 1HG GLU 22 -15.936 -3.827 -2.287 177 H ASN 23 H ASN 23 -11.592 -3.360 -2.884 178 HA ASN 23 HA ASN 23 -9.768 -1.321 -1.849 179 HB2 ASN 23 2HB ASN 23 -9.384 -4.199 -2.781 180 HB3 ASN 23 1HB ASN 23 -8.037 -3.162 -2.331 181 HD21 ASN 23 1HD2 ASN 23 -7.747 -2.569 -0.183 182 HD22 ASN 23 2HD2 ASN 23 -8.530 -3.422 1.105 183 H ARG 24 H ARG 24 -10.597 0.056 -3.769 184 HA ARG 24 HA ARG 24 -9.621 -0.653 -6.399 185 HB2 ARG 24 2HB ARG 24 -10.466 1.544 -7.168 186 HB3 ARG 24 1HB ARG 24 -11.692 0.592 -6.355 187 HG2 ARG 24 2HG ARG 24 -10.201 2.836 -4.954 188 HG3 ARG 24 1HG ARG 24 -11.646 3.134 -5.917 189 HD2 ARG 24 2HD ARG 24 -12.930 1.616 -4.441 190 HD3 ARG 24 1HD ARG 24 -11.477 1.342 -3.474 191 HE ARG 24 HE ARG 24 -12.020 4.121 -3.653 192 HH11 ARG 24 1HH1 ARG 24 -13.144 1.242 -1.966 193 HH12 ARG 24 2HH1 ARG 24 -13.856 2.149 -0.676 194 HH21 ARG 24 1HH2 ARG 24 -12.966 5.270 -1.963 195 HH22 ARG 24 2HH2 ARG 24 -13.754 4.421 -0.670 196 H ARG 25 H ARG 25 -7.442 -1.007 -5.678 197 HA ARG 25 HA ARG 25 -5.685 1.330 -5.888 198 HB2 ARG 25 2HB ARG 25 -5.514 -0.728 -3.637 199 HB3 ARG 25 1HB ARG 25 -4.255 0.443 -4.015 200 HG2 ARG 25 2HG ARG 25 -5.810 2.290 -3.440 201 HG3 ARG 25 1HG ARG 25 -7.059 1.105 -3.044 202 HD2 ARG 25 2HD ARG 25 -5.706 0.216 -1.227 203 HD3 ARG 25 1HD ARG 25 -4.346 1.243 -1.685 204 HE ARG 25 HE ARG 25 -6.688 2.777 -1.062 205 HH11 ARG 25 1HH1 ARG 25 -3.993 1.093 0.443 206 HH12 ARG 25 2HH1 ARG 25 -4.050 2.062 1.879 207 HH21 ARG 25 1HH2 ARG 25 -6.725 4.025 0.837 208 HH22 ARG 25 2HH2 ARG 25 -5.571 3.713 2.096 209 H VAL 26 H VAL 26 -5.238 0.537 -7.957 210 HA VAL 26 HA VAL 26 -3.425 -1.805 -8.058 211 HB VAL 26 HB VAL 26 -3.982 -1.840 -10.595 212 HG11 VAL 26 1HG1 VAL 26 -4.768 -3.601 -9.044 213 HG12 VAL 26 2HG1 VAL 26 -5.978 -3.274 -10.284 214 HG13 VAL 26 3HG1 VAL 26 -6.195 -2.640 -8.650 215 HG21 VAL 26 1HG2 VAL 26 -5.145 0.353 -10.759 216 HG22 VAL 26 2HG2 VAL 26 -6.430 -0.242 -9.711 217 HG23 VAL 26 3HG2 VAL 26 -6.193 -0.959 -11.308 218 H THR 27 H THR 27 -1.528 -0.790 -7.685 219 HA THR 27 HA THR 27 -0.707 1.547 -9.255 220 HB THR 27 HB THR 27 0.775 0.058 -7.045 221 HG1 THR 27 HG1 THR 27 -0.286 1.275 -5.702 222 HG21 THR 27 1HG2 THR 27 2.241 2.052 -6.927 223 HG22 THR 27 2HG2 THR 27 1.414 2.749 -8.319 224 HG23 THR 27 3HG2 THR 27 2.355 1.268 -8.508 225 H VAL 28 H VAL 28 -0.138 0.932 -11.318 226 HA VAL 28 HA VAL 28 1.347 -1.509 -11.848 227 HB VAL 28 HB VAL 28 -0.275 -0.651 -13.520 228 HG11 VAL 28 1HG1 VAL 28 1.574 1.732 -13.897 229 HG12 VAL 28 2HG1 VAL 28 -0.039 1.776 -13.186 230 HG13 VAL 28 3HG1 VAL 28 0.162 1.361 -14.890 231 HG21 VAL 28 1HG2 VAL 28 2.578 -0.680 -14.586 232 HG22 VAL 28 2HG2 VAL 28 1.126 -0.912 -15.560 233 HG23 VAL 28 3HG2 VAL 28 1.554 -2.092 -14.319 234 H THR 29 H THR 29 3.548 -1.656 -12.209 235 HA THR 29 HA THR 29 5.265 0.349 -11.124 236 HB THR 29 HB THR 29 5.834 -2.058 -10.963 237 HG1 THR 29 HG1 THR 29 7.468 -0.256 -11.148 238 HG21 THR 29 1HG2 THR 29 6.746 -3.318 -12.892 239 HG22 THR 29 2HG2 THR 29 6.335 -1.974 -13.962 240 HG23 THR 29 3HG2 THR 29 5.054 -2.880 -13.157 241 H GLN 30 H GLN 30 6.173 2.093 -12.192 242 HA GLN 30 HA GLN 30 5.601 2.521 -15.011 243 HB2 GLN 30 2HB GLN 30 5.383 4.384 -13.399 244 HB3 GLN 30 1HB GLN 30 7.103 4.291 -13.040 245 HG2 GLN 30 2HG GLN 30 7.678 5.008 -15.291 246 HG3 GLN 30 1HG GLN 30 5.991 4.916 -15.796 247 HE21 GLN 30 1HE2 GLN 30 8.332 6.751 -13.924 248 HE22 GLN 30 2HE2 GLN 30 7.372 8.181 -13.775 249 H GLU 31 H GLU 31 6.772 0.656 -15.615 250 HA GLU 31 HA GLU 31 9.287 1.184 -16.818 251 HB2 GLU 31 2HB GLU 31 10.175 0.596 -14.582 252 HB3 GLU 31 1HB GLU 31 9.228 -0.885 -14.558 253 HG2 GLU 31 2HG GLU 31 11.573 -1.359 -15.043 254 HG3 GLU 31 1HG GLU 31 10.559 -1.787 -16.419 255 H ASN 32 H ASN 32 8.829 0.348 -18.739 256 HA ASN 32 HA ASN 32 6.728 -1.540 -19.194 257 HB2 ASN 32 2HB ASN 32 7.263 -1.269 -21.577 258 HB3 ASN 32 1HB ASN 32 7.243 0.301 -20.788 259 HD21 ASN 32 1HD2 ASN 32 9.249 1.380 -20.417 260 HD22 ASN 32 2HD2 ASN 32 10.653 0.984 -21.346 261 H GLY 33 H GLY 33 6.888 -3.657 -19.977 262 HA2 GLY 33 2HA GLY 33 8.440 -5.450 -20.811 263 HA3 GLY 33 1HA GLY 33 9.462 -5.051 -19.437 264 H ARG 34 H ARG 34 8.667 -5.459 -17.306 265 HA ARG 34 HA ARG 34 6.903 -7.783 -17.156 266 HB2 ARG 34 2HB ARG 34 9.192 -7.624 -15.949 267 HB3 ARG 34 1HB ARG 34 8.413 -6.505 -14.837 268 HG2 ARG 34 2HG ARG 34 8.432 -8.754 -13.875 269 HG3 ARG 34 1HG ARG 34 6.768 -8.270 -14.223 270 HD2 ARG 34 2HD ARG 34 6.918 -9.551 -16.385 271 HD3 ARG 34 1HD ARG 34 8.509 -10.126 -15.882 272 HE ARG 34 HE ARG 34 6.810 -10.827 -13.827 273 HH11 ARG 34 1HH1 ARG 34 6.986 -11.509 -17.254 274 HH12 ARG 34 2HH1 ARG 34 6.200 -13.051 -17.114 275 HH21 ARG 34 1HH2 ARG 34 5.742 -12.836 -13.658 276 HH22 ARG 34 2HH2 ARG 34 5.481 -13.796 -15.083 277 H TRP 35 H TRP 35 4.777 -7.472 -16.776 278 HA TRP 35 HA TRP 35 3.766 -4.870 -15.948 279 HB2 TRP 35 2HB TRP 35 2.415 -7.416 -16.922 280 HB3 TRP 35 1HB TRP 35 1.515 -5.987 -16.422 281 HD1 TRP 35 HD1 TRP 35 4.316 -6.829 -19.024 282 HE1 TRP 35 HE1 TRP 35 3.872 -5.426 -21.130 283 HE3 TRP 35 HE3 TRP 35 0.248 -4.188 -17.403 284 HZ2 TRP 35 HZ2 TRP 35 2.066 -3.446 -21.993 285 HZ3 TRP 35 HZ3 TRP 35 -0.789 -2.560 -18.931 286 HH2 TRP 35 HH2 TRP 35 0.104 -2.199 -21.181 287 H ARG 36 H ARG 36 4.712 -5.032 -13.843 288 HA ARG 36 HA ARG 36 3.514 -6.841 -11.889 289 HB2 ARG 36 2HB ARG 36 5.909 -6.511 -11.739 290 HB3 ARG 36 1HB ARG 36 5.724 -4.762 -11.698 291 HG2 ARG 36 2HG ARG 36 4.624 -4.929 -9.489 292 HG3 ARG 36 1HG ARG 36 4.821 -6.686 -9.526 293 HD2 ARG 36 2HD ARG 36 6.554 -5.498 -8.159 294 HD3 ARG 36 1HD ARG 36 7.229 -6.480 -9.465 295 HE ARG 36 HE ARG 36 6.867 -3.542 -9.683 296 HH11 ARG 36 1HH1 ARG 36 8.883 -6.371 -10.132 297 HH12 ARG 36 2HH1 ARG 36 10.195 -5.471 -10.824 298 HH21 ARG 36 1HH2 ARG 36 8.575 -2.375 -10.594 299 HH22 ARG 36 2HH2 ARG 36 10.022 -3.202 -11.077 300 H VAL 37 H VAL 37 1.713 -6.305 -10.866 301 HA VAL 37 HA VAL 37 0.961 -3.468 -10.501 302 HB VAL 37 HB VAL 37 -0.827 -5.942 -10.380 303 HG11 VAL 37 1HG1 VAL 37 -2.723 -4.325 -10.355 304 HG12 VAL 37 2HG1 VAL 37 -1.576 -2.988 -10.271 305 HG13 VAL 37 3HG1 VAL 37 -1.686 -4.139 -8.938 306 HG21 VAL 37 1HG2 VAL 37 -0.056 -5.561 -12.692 307 HG22 VAL 37 2HG2 VAL 37 -0.578 -3.876 -12.610 308 HG23 VAL 37 3HG2 VAL 37 -1.773 -5.172 -12.546 309 H THR 38 H THR 38 1.753 -2.841 -8.579 310 HA THR 38 HA THR 38 1.671 -4.437 -6.167 311 HB THR 38 HB THR 38 2.228 -1.443 -6.432 312 HG1 THR 38 HG1 THR 38 3.755 -3.642 -7.125 313 HG21 THR 38 1HG2 THR 38 3.077 -3.437 -4.289 314 HG22 THR 38 2HG2 THR 38 1.825 -2.206 -4.101 315 HG23 THR 38 3HG2 THR 38 3.506 -1.728 -4.345 316 H TRP 39 H TRP 39 -0.316 -4.829 -5.355 317 HA TRP 39 HA TRP 39 -2.419 -2.752 -5.480 318 HB2 TRP 39 2HB TRP 39 -4.017 -4.678 -5.425 319 HB3 TRP 39 1HB TRP 39 -2.997 -4.654 -6.852 320 HD1 TRP 39 HD1 TRP 39 -1.298 -6.711 -7.189 321 HE1 TRP 39 HE1 TRP 39 -1.149 -9.031 -6.100 322 HE3 TRP 39 HE3 TRP 39 -4.369 -5.947 -3.156 323 HZ2 TRP 39 HZ2 TRP 39 -2.183 -10.379 -3.857 324 HZ3 TRP 39 HZ3 TRP 39 -4.742 -7.806 -1.593 325 HH2 TRP 39 HH2 TRP 39 -3.672 -9.980 -1.932 326 H ASP 40 H ASP 40 -4.051 -2.890 -3.712 327 HA ASP 40 HA ASP 40 -3.072 -3.869 -1.139 328 HB2 ASP 40 2HB ASP 40 -2.063 -1.600 -1.351 329 HB3 ASP 40 1HB ASP 40 -3.664 -0.914 -1.592 Start of MODEL 18 1 HA THR 1 HA THR 1 4.186 -7.885 -0.461 2 HB THR 1 HB THR 1 5.506 -6.193 -1.874 3 HG1 THR 1 HG1 THR 1 5.793 -6.621 -3.912 4 HG21 THR 1 1HG2 THR 1 7.658 -7.389 -1.749 5 HG22 THR 1 2HG2 THR 1 6.810 -8.924 -1.559 6 HG23 THR 1 3HG2 THR 1 6.703 -7.694 -0.296 7 H GLN 2 H GLN 2 3.649 -5.452 -1.013 8 HA GLN 2 HA GLN 2 1.045 -5.152 -2.042 9 HB2 GLN 2 2HB GLN 2 1.239 -2.826 -1.667 10 HB3 GLN 2 1HB GLN 2 2.239 -3.546 -0.423 11 HG2 GLN 2 2HG GLN 2 3.339 -2.372 -2.988 12 HG3 GLN 2 1HG GLN 2 3.128 -1.445 -1.514 13 HE21 GLN 2 1HE2 GLN 2 5.307 -0.956 -1.376 14 HE22 GLN 2 2HE2 GLN 2 6.520 -2.117 -0.966 15 H THR 3 H THR 3 4.186 -5.016 -3.516 16 HA THR 3 HA THR 3 3.176 -4.116 -6.121 17 HB THR 3 HB THR 3 5.658 -4.278 -6.739 18 HG1 THR 3 HG1 THR 3 7.117 -4.499 -5.018 19 HG21 THR 3 1HG2 THR 3 6.293 -2.214 -5.545 20 HG22 THR 3 2HG2 THR 3 4.950 -2.434 -4.421 21 HG23 THR 3 3HG2 THR 3 4.632 -2.112 -6.129 22 H GLN 4 H GLN 4 1.953 -5.848 -6.827 23 HA GLN 4 HA GLN 4 3.269 -8.470 -7.219 24 HB2 GLN 4 2HB GLN 4 0.312 -7.701 -7.273 25 HB3 GLN 4 1HB GLN 4 0.918 -9.301 -7.703 26 HG2 GLN 4 2HG GLN 4 1.131 -7.959 -4.989 27 HG3 GLN 4 1HG GLN 4 0.050 -9.282 -5.419 28 HE21 GLN 4 1HE2 GLN 4 0.974 -11.376 -5.849 29 HE22 GLN 4 2HE2 GLN 4 2.517 -11.804 -5.201 30 H GLU 5 H GLU 5 4.239 -8.633 -9.154 31 HA GLU 5 HA GLU 5 3.254 -7.125 -11.466 32 HB2 GLU 5 2HB GLU 5 5.362 -7.681 -12.543 33 HB3 GLU 5 1HB GLU 5 5.662 -7.044 -10.929 34 HG2 GLU 5 2HG GLU 5 5.944 -9.416 -10.125 35 HG3 GLU 5 1HG GLU 5 5.839 -9.946 -11.808 36 H PHE 6 H PHE 6 2.558 -7.999 -13.330 37 HA PHE 6 HA PHE 6 2.132 -10.924 -13.491 38 HB2 PHE 6 2HB PHE 6 0.112 -8.757 -14.236 39 HB3 PHE 6 1HB PHE 6 -0.100 -10.486 -14.505 40 HD1 PHE 6 HD1 PHE 6 -0.072 -7.812 -11.955 41 HD2 PHE 6 HD2 PHE 6 -0.600 -12.000 -12.635 42 HE1 PHE 6 HE1 PHE 6 -1.050 -8.058 -9.717 43 HE2 PHE 6 HE2 PHE 6 -1.591 -12.234 -10.391 44 HZ PHE 6 HZ PHE 6 -1.816 -10.266 -8.931 45 H ASP 7 H ASP 7 2.512 -11.790 -15.448 46 HA ASP 7 HA ASP 7 4.389 -10.420 -17.116 47 HB2 ASP 7 2HB ASP 7 4.384 -12.868 -16.279 48 HB3 ASP 7 1HB ASP 7 3.181 -13.191 -17.522 49 H ASN 8 H ASN 8 4.159 -11.180 -19.639 50 HA ASN 8 HA ASN 8 2.514 -9.666 -21.153 51 HB2 ASN 8 2HB ASN 8 4.385 -10.888 -22.088 52 HB3 ASN 8 1HB ASN 8 3.658 -12.434 -21.702 53 HD21 ASN 8 1HD2 ASN 8 2.026 -13.257 -23.023 54 HD22 ASN 8 2HD2 ASN 8 1.715 -12.640 -24.608 55 H GLU 9 H GLU 9 1.485 -12.549 -19.473 56 HA GLU 9 HA GLU 9 -0.701 -13.310 -21.108 57 HB2 GLU 9 2HB GLU 9 -0.434 -13.919 -18.135 58 HB3 GLU 9 1HB GLU 9 -1.252 -14.875 -19.372 59 HG2 GLU 9 2HG GLU 9 1.739 -14.523 -18.953 60 HG3 GLU 9 1HG GLU 9 0.784 -15.999 -18.803 61 H GLU 10 H GLU 10 -0.324 -10.676 -19.000 62 HA GLU 10 HA GLU 10 -1.603 -8.917 -18.492 63 HB2 GLU 10 2HB GLU 10 -2.293 -9.258 -20.933 64 HB3 GLU 10 1HB GLU 10 -3.753 -10.043 -20.333 65 HG2 GLU 10 2HG GLU 10 -4.339 -7.941 -19.140 66 HG3 GLU 10 1HG GLU 10 -2.897 -7.180 -19.812 67 H GLU 11 H GLU 11 -1.724 -11.343 -16.917 68 HA GLU 11 HA GLU 11 -4.303 -11.743 -15.780 69 HB2 GLU 11 2HB GLU 11 -1.533 -12.280 -14.645 70 HB3 GLU 11 1HB GLU 11 -3.036 -12.852 -13.916 71 HG2 GLU 11 2HG GLU 11 -1.953 -13.627 -16.654 72 HG3 GLU 11 1HG GLU 11 -1.932 -14.625 -15.201 73 H ALA 12 H ALA 12 -2.195 -9.123 -15.566 74 HA ALA 12 HA ALA 12 -2.677 -8.026 -13.038 75 HB1 ALA 12 1HB ALA 12 -0.956 -7.189 -14.573 76 HB2 ALA 12 2HB ALA 12 -2.030 -5.881 -14.074 77 HB3 ALA 12 3HB ALA 12 -2.203 -6.606 -15.676 78 H ARG 13 H ARG 13 -4.584 -7.978 -15.996 79 HA ARG 13 HA ARG 13 -6.537 -6.079 -15.069 80 HB2 ARG 13 2HB ARG 13 -6.570 -7.997 -17.437 81 HB3 ARG 13 1HB ARG 13 -7.835 -6.811 -17.108 82 HG2 ARG 13 2HG ARG 13 -4.921 -6.198 -17.725 83 HG3 ARG 13 1HG ARG 13 -6.294 -5.984 -18.819 84 HD2 ARG 13 2HD ARG 13 -7.254 -4.300 -17.290 85 HD3 ARG 13 1HD ARG 13 -5.892 -4.513 -16.180 86 HE ARG 13 HE ARG 13 -4.936 -3.828 -18.769 87 HH11 ARG 13 1HH1 ARG 13 -6.520 -2.350 -15.990 88 HH12 ARG 13 2HH1 ARG 13 -5.917 -0.767 -16.356 89 HH21 ARG 13 1HH2 ARG 13 -4.160 -1.747 -19.217 90 HH22 ARG 13 2HH2 ARG 13 -4.585 -0.428 -18.176 91 H LYS 14 H LYS 14 -6.310 -9.625 -15.139 92 HA LYS 14 HA LYS 14 -8.932 -10.235 -14.209 93 HB2 LYS 14 2HB LYS 14 -7.518 -11.998 -15.175 94 HB3 LYS 14 1HB LYS 14 -6.289 -11.762 -13.935 95 HG2 LYS 14 2HG LYS 14 -7.867 -12.592 -12.217 96 HG3 LYS 14 1HG LYS 14 -9.099 -12.827 -13.458 97 HD2 LYS 14 2HD LYS 14 -6.403 -14.246 -13.502 98 HD3 LYS 14 1HD LYS 14 -7.820 -14.911 -12.691 99 HE2 LYS 14 2HE LYS 14 -7.698 -15.966 -14.824 100 HE3 LYS 14 1HE LYS 14 -9.017 -14.809 -14.931 101 HZ1 LYS 14 1HZ LYS 14 -7.607 -14.820 -16.899 102 HZ2 LYS 14 2HZ LYS 14 -6.271 -14.367 -15.968 103 HZ3 LYS 14 3HZ LYS 14 -7.583 -13.313 -16.132 104 H ALA 15 H ALA 15 -5.848 -9.673 -12.552 105 HA ALA 15 HA ALA 15 -6.643 -10.025 -9.885 106 HB1 ALA 15 1HB ALA 15 -4.476 -8.205 -10.990 107 HB2 ALA 15 2HB ALA 15 -4.279 -9.907 -10.566 108 HB3 ALA 15 3HB ALA 15 -4.634 -8.721 -9.307 109 H GLU 16 H GLU 16 -6.274 -7.050 -11.759 110 HA GLU 16 HA GLU 16 -7.197 -5.136 -9.977 111 HB2 GLU 16 2HB GLU 16 -5.968 -4.570 -11.989 112 HB3 GLU 16 1HB GLU 16 -7.225 -5.250 -13.013 113 HG2 GLU 16 2HG GLU 16 -8.759 -3.426 -12.222 114 HG3 GLU 16 1HG GLU 16 -7.399 -2.712 -11.356 115 H LYS 17 H LYS 17 -9.008 -7.204 -12.183 116 HA LYS 17 HA LYS 17 -11.504 -5.927 -12.257 117 HB2 LYS 17 2HB LYS 17 -10.399 -8.135 -13.465 118 HB3 LYS 17 1HB LYS 17 -11.505 -8.927 -12.362 119 HG2 LYS 17 2HG LYS 17 -12.282 -6.846 -14.438 120 HG3 LYS 17 1HG LYS 17 -12.414 -8.596 -14.651 121 HD2 LYS 17 2HD LYS 17 -13.981 -8.628 -12.671 122 HD3 LYS 17 1HD LYS 17 -13.942 -6.862 -12.670 123 HE2 LYS 17 2HE LYS 17 -14.960 -8.644 -14.916 124 HE3 LYS 17 1HE LYS 17 -15.943 -7.663 -13.829 125 HZ1 LYS 17 1HZ LYS 17 -15.635 -6.618 -15.983 126 HZ2 LYS 17 2HZ LYS 17 -13.963 -6.607 -15.768 127 HZ3 LYS 17 3HZ LYS 17 -14.948 -5.682 -14.756 128 H GLU 18 H GLU 18 -10.084 -8.054 -9.891 129 HA GLU 18 HA GLU 18 -12.533 -8.189 -8.223 130 HB2 GLU 18 2HB GLU 18 -9.939 -9.806 -8.072 131 HB3 GLU 18 1HB GLU 18 -11.419 -10.112 -7.152 132 HG2 GLU 18 2HG GLU 18 -12.621 -10.694 -9.168 133 HG3 GLU 18 1HG GLU 18 -11.266 -10.216 -10.187 134 H LEU 19 H LEU 19 -9.299 -6.942 -8.381 135 HA LEU 19 HA LEU 19 -8.980 -6.286 -5.588 136 HB2 LEU 19 2HB LEU 19 -7.270 -6.154 -8.025 137 HB3 LEU 19 1HB LEU 19 -6.961 -4.879 -6.884 138 HG LEU 19 HG LEU 19 -5.369 -6.656 -6.518 139 HD11 LEU 19 1HD1 LEU 19 -5.695 -7.119 -4.142 140 HD12 LEU 19 2HD1 LEU 19 -7.387 -6.626 -4.250 141 HD13 LEU 19 3HD1 LEU 19 -6.101 -5.448 -4.529 142 HD21 LEU 19 1HD2 LEU 19 -7.719 -8.533 -6.113 143 HD22 LEU 19 2HD2 LEU 19 -6.018 -8.938 -5.848 144 HD23 LEU 19 3HD2 LEU 19 -6.586 -8.535 -7.464 145 H ARG 20 H ARG 20 -10.501 -4.792 -8.263 146 HA ARG 20 HA ARG 20 -10.302 -2.066 -7.402 147 HB2 ARG 20 2HB ARG 20 -12.154 -1.625 -8.973 148 HB3 ARG 20 1HB ARG 20 -10.921 -2.636 -9.721 149 HG2 ARG 20 2HG ARG 20 -12.333 -4.636 -9.333 150 HG3 ARG 20 1HG ARG 20 -13.576 -3.610 -8.609 151 HD2 ARG 20 2HD ARG 20 -13.799 -2.392 -10.757 152 HD3 ARG 20 1HD ARG 20 -12.585 -3.454 -11.479 153 HE ARG 20 HE ARG 20 -14.387 -5.246 -10.632 154 HH11 ARG 20 1HH1 ARG 20 -14.850 -2.274 -12.465 155 HH12 ARG 20 2HH1 ARG 20 -16.258 -2.861 -13.292 156 HH21 ARG 20 1HH2 ARG 20 -16.226 -6.001 -11.731 157 HH22 ARG 20 2HH2 ARG 20 -17.027 -4.976 -12.881 158 H LYS 21 H LYS 21 -12.230 -4.794 -6.452 159 HA LYS 21 HA LYS 21 -14.327 -3.243 -5.129 160 HB2 LYS 21 2HB LYS 21 -13.855 -6.259 -5.245 161 HB3 LYS 21 1HB LYS 21 -15.302 -5.463 -4.621 162 HG2 LYS 21 2HG LYS 21 -14.331 -5.398 -7.500 163 HG3 LYS 21 1HG LYS 21 -15.642 -6.406 -6.871 164 HD2 LYS 21 2HD LYS 21 -16.858 -4.273 -6.233 165 HD3 LYS 21 1HD LYS 21 -15.590 -3.365 -7.069 166 HE2 LYS 21 2HE LYS 21 -17.517 -3.640 -8.535 167 HE3 LYS 21 1HE LYS 21 -16.162 -4.571 -9.177 168 HZ1 LYS 21 1HZ LYS 21 -18.417 -5.678 -7.582 169 HZ2 LYS 21 2HZ LYS 21 -17.134 -6.573 -8.224 170 HZ3 LYS 21 3HZ LYS 21 -18.235 -5.811 -9.256 171 H GLU 22 H GLU 22 -14.211 -2.661 -3.058 172 HA GLU 22 HA GLU 22 -13.858 -2.559 -0.840 173 HB2 GLU 22 2HB GLU 22 -13.035 -5.494 -0.965 174 HB3 GLU 22 1HB GLU 22 -13.570 -4.608 0.461 175 HG2 GLU 22 2HG GLU 22 -15.264 -5.306 -1.965 176 HG3 GLU 22 1HG GLU 22 -15.327 -6.089 -0.387 177 H ASN 23 H ASN 23 -11.448 -2.389 -2.844 178 HA ASN 23 HA ASN 23 -9.299 -2.264 -0.787 179 HB2 ASN 23 2HB ASN 23 -9.059 -2.579 -3.814 180 HB3 ASN 23 1HB ASN 23 -7.692 -2.290 -2.740 181 HD21 ASN 23 1HD2 ASN 23 -10.097 -4.618 -3.757 182 HD22 ASN 23 2HD2 ASN 23 -9.345 -6.001 -3.049 183 H ARG 24 H ARG 24 -7.777 -0.449 -1.075 184 HA ARG 24 HA ARG 24 -9.271 2.012 -1.244 185 HB2 ARG 24 2HB ARG 24 -6.481 1.261 -0.326 186 HB3 ARG 24 1HB ARG 24 -6.909 2.953 -0.550 187 HG2 ARG 24 2HG ARG 24 -8.382 1.037 1.297 188 HG3 ARG 24 1HG ARG 24 -7.148 2.204 1.805 189 HD2 ARG 24 2HD ARG 24 -9.844 2.840 0.533 190 HD3 ARG 24 1HD ARG 24 -9.378 3.140 2.210 191 HE ARG 24 HE ARG 24 -7.514 4.525 0.841 192 HH11 ARG 24 1HH1 ARG 24 -11.031 4.598 0.532 193 HH12 ARG 24 2HH1 ARG 24 -11.042 6.259 0.041 194 HH21 ARG 24 1HH2 ARG 24 -7.578 6.672 0.196 195 HH22 ARG 24 2HH2 ARG 24 -9.101 7.429 -0.143 196 H ARG 25 H ARG 25 -6.079 1.138 -2.669 197 HA ARG 25 HA ARG 25 -6.909 2.216 -5.264 198 HB2 ARG 25 2HB ARG 25 -6.035 4.230 -4.188 199 HB3 ARG 25 1HB ARG 25 -4.567 3.394 -3.704 200 HG2 ARG 25 2HG ARG 25 -4.082 4.826 -5.603 201 HG3 ARG 25 1HG ARG 25 -3.921 3.139 -6.084 202 HD2 ARG 25 2HD ARG 25 -6.251 3.296 -7.064 203 HD3 ARG 25 1HD ARG 25 -6.200 5.036 -6.755 204 HE ARG 25 HE ARG 25 -4.510 3.526 -8.656 205 HH11 ARG 25 1HH1 ARG 25 -5.673 6.643 -7.535 206 HH12 ARG 25 2HH1 ARG 25 -4.990 7.513 -8.869 207 HH21 ARG 25 1HH2 ARG 25 -3.594 4.682 -10.384 208 HH22 ARG 25 2HH2 ARG 25 -3.818 6.399 -10.483 209 H VAL 26 H VAL 26 -6.581 0.322 -6.310 210 HA VAL 26 HA VAL 26 -3.886 -0.873 -6.322 211 HB VAL 26 HB VAL 26 -4.843 -2.758 -7.505 212 HG11 VAL 26 1HG1 VAL 26 -6.688 -1.908 -5.225 213 HG12 VAL 26 2HG1 VAL 26 -5.145 -2.740 -5.065 214 HG13 VAL 26 3HG1 VAL 26 -6.502 -3.557 -5.819 215 HG21 VAL 26 1HG2 VAL 26 -7.244 -2.919 -8.169 216 HG22 VAL 26 2HG2 VAL 26 -6.415 -1.627 -9.038 217 HG23 VAL 26 3HG2 VAL 26 -7.484 -1.234 -7.691 218 H THR 27 H THR 27 -2.546 -0.637 -8.099 219 HA THR 27 HA THR 27 -3.518 0.934 -10.407 220 HB THR 27 HB THR 27 -0.932 1.581 -8.927 221 HG1 THR 27 HG1 THR 27 -2.282 2.539 -7.598 222 HG21 THR 27 1HG2 THR 27 -0.883 2.135 -11.346 223 HG22 THR 27 2HG2 THR 27 -0.902 3.595 -10.357 224 HG23 THR 27 3HG2 THR 27 -2.380 3.064 -11.160 225 H VAL 28 H VAL 28 -3.255 -0.513 -12.012 226 HA VAL 28 HA VAL 28 -0.987 -2.228 -12.338 227 HB VAL 28 HB VAL 28 -3.144 -2.799 -13.375 228 HG11 VAL 28 1HG1 VAL 28 -2.761 -0.379 -15.179 229 HG12 VAL 28 2HG1 VAL 28 -3.997 -0.570 -13.933 230 HG13 VAL 28 3HG1 VAL 28 -4.021 -1.607 -15.359 231 HG21 VAL 28 1HG2 VAL 28 -1.121 -3.755 -14.379 232 HG22 VAL 28 2HG2 VAL 28 -0.959 -2.360 -15.447 233 HG23 VAL 28 3HG2 VAL 28 -2.329 -3.457 -15.634 234 H THR 29 H THR 29 0.979 -1.622 -12.985 235 HA THR 29 HA THR 29 1.405 0.551 -14.900 236 HB THR 29 HB THR 29 2.910 0.457 -12.231 237 HG1 THR 29 HG1 THR 29 0.652 1.863 -13.062 238 HG21 THR 29 1HG2 THR 29 3.928 2.594 -12.956 239 HG22 THR 29 2HG2 THR 29 3.075 2.489 -14.496 240 HG23 THR 29 3HG2 THR 29 4.321 1.304 -14.098 241 H GLN 30 H GLN 30 2.517 -0.418 -16.461 242 HA GLN 30 HA GLN 30 3.878 -2.819 -16.420 243 HB2 GLN 30 2HB GLN 30 4.779 -2.241 -18.589 244 HB3 GLN 30 1HB GLN 30 3.140 -1.618 -18.474 245 HG2 GLN 30 2HG GLN 30 5.662 0.045 -18.151 246 HG3 GLN 30 1HG GLN 30 4.697 -0.070 -19.617 247 HE21 GLN 30 1HE2 GLN 30 5.408 2.208 -17.814 248 HE22 GLN 30 2HE2 GLN 30 3.897 2.955 -17.447 249 H GLU 31 H GLU 31 5.894 -3.482 -15.972 250 HA GLU 31 HA GLU 31 8.058 -1.611 -15.378 251 HB2 GLU 31 2HB GLU 31 6.848 -2.001 -13.210 252 HB3 GLU 31 1HB GLU 31 7.106 -3.732 -13.384 253 HG2 GLU 31 2HG GLU 31 9.489 -3.476 -13.128 254 HG3 GLU 31 1HG GLU 31 9.369 -1.719 -13.199 255 H ASN 32 H ASN 32 9.333 -2.301 -16.951 256 HA ASN 32 HA ASN 32 10.680 -3.511 -18.276 257 HB2 ASN 32 2HB ASN 32 11.686 -4.025 -15.988 258 HB3 ASN 32 1HB ASN 32 10.800 -5.543 -16.001 259 HD21 ASN 32 1HD2 ASN 32 12.846 -6.637 -15.840 260 HD22 ASN 32 2HD2 ASN 32 13.863 -6.821 -17.224 261 H GLY 33 H GLY 33 7.919 -3.798 -18.609 262 HA2 GLY 33 2HA GLY 33 6.835 -4.912 -20.394 263 HA3 GLY 33 1HA GLY 33 7.762 -6.365 -20.052 264 H ARG 34 H ARG 34 7.276 -6.249 -17.166 265 HA ARG 34 HA ARG 34 4.766 -7.718 -17.199 266 HB2 ARG 34 2HB ARG 34 6.860 -7.352 -15.010 267 HB3 ARG 34 1HB ARG 34 5.351 -8.216 -14.746 268 HG2 ARG 34 2HG ARG 34 7.033 -9.862 -15.165 269 HG3 ARG 34 1HG ARG 34 6.001 -9.805 -16.594 270 HD2 ARG 34 2HD ARG 34 7.773 -8.200 -17.580 271 HD3 ARG 34 1HD ARG 34 8.810 -8.737 -16.253 272 HE ARG 34 HE ARG 34 7.837 -11.018 -17.516 273 HH11 ARG 34 1HH1 ARG 34 9.947 -8.330 -18.345 274 HH12 ARG 34 2HH1 ARG 34 10.796 -9.226 -19.559 275 HH21 ARG 34 1HH2 ARG 34 8.916 -12.144 -19.146 276 HH22 ARG 34 2HH2 ARG 34 10.201 -11.385 -20.032 277 H TRP 35 H TRP 35 2.894 -6.735 -16.885 278 HA TRP 35 HA TRP 35 2.564 -4.092 -15.898 279 HB2 TRP 35 2HB TRP 35 0.516 -6.298 -16.391 280 HB3 TRP 35 1HB TRP 35 0.107 -4.623 -16.025 281 HD1 TRP 35 HD1 TRP 35 1.396 -2.796 -17.876 282 HE1 TRP 35 HE1 TRP 35 1.356 -2.994 -20.434 283 HE3 TRP 35 HE3 TRP 35 0.348 -7.786 -18.293 284 HZ2 TRP 35 HZ2 TRP 35 0.936 -4.985 -22.377 285 HZ3 TRP 35 HZ3 TRP 35 0.145 -8.764 -20.542 286 HH2 TRP 35 HH2 TRP 35 0.433 -7.391 -22.544 287 H ARG 36 H ARG 36 3.198 -3.740 -13.919 288 HA ARG 36 HA ARG 36 2.798 -5.607 -11.735 289 HB2 ARG 36 2HB ARG 36 5.011 -4.515 -12.330 290 HB3 ARG 36 1HB ARG 36 4.345 -2.979 -11.798 291 HG2 ARG 36 2HG ARG 36 4.617 -5.405 -9.982 292 HG3 ARG 36 1HG ARG 36 5.881 -4.200 -10.183 293 HD2 ARG 36 2HD ARG 36 3.133 -3.807 -9.002 294 HD3 ARG 36 1HD ARG 36 4.690 -3.655 -8.192 295 HE ARG 36 HE ARG 36 3.355 -1.691 -9.816 296 HH11 ARG 36 1HH1 ARG 36 6.537 -2.638 -8.642 297 HH12 ARG 36 2HH1 ARG 36 7.163 -1.025 -8.718 298 HH21 ARG 36 1HH2 ARG 36 4.180 0.404 -9.882 299 HH22 ARG 36 2HH2 ARG 36 5.817 0.695 -9.400 300 H VAL 37 H VAL 37 0.895 -5.479 -10.744 301 HA VAL 37 HA VAL 37 -0.565 -2.982 -10.358 302 HB VAL 37 HB VAL 37 -1.320 -5.790 -9.408 303 HG11 VAL 37 1HG1 VAL 37 -2.474 -4.038 -8.112 304 HG12 VAL 37 2HG1 VAL 37 -3.622 -4.867 -9.167 305 HG13 VAL 37 3HG1 VAL 37 -3.020 -3.266 -9.603 306 HG21 VAL 37 1HG2 VAL 37 -1.169 -5.732 -11.858 307 HG22 VAL 37 2HG2 VAL 37 -2.215 -4.312 -11.911 308 HG23 VAL 37 3HG2 VAL 37 -2.855 -5.859 -11.352 309 H THR 38 H THR 38 0.398 -1.746 -8.816 310 HA THR 38 HA THR 38 1.197 -2.802 -6.224 311 HB THR 38 HB THR 38 0.942 0.119 -7.081 312 HG1 THR 38 HG1 THR 38 3.359 -0.257 -7.230 313 HG21 THR 38 1HG2 THR 38 2.551 -1.173 -4.831 314 HG22 THR 38 2HG2 THR 38 1.094 -0.197 -4.620 315 HG23 THR 38 3HG2 THR 38 2.568 0.539 -5.254 316 H TRP 39 H TRP 39 -0.496 -3.454 -4.966 317 HA TRP 39 HA TRP 39 -3.025 -1.962 -4.957 318 HB2 TRP 39 2HB TRP 39 -3.924 -3.867 -3.654 319 HB3 TRP 39 1HB TRP 39 -3.230 -4.383 -5.177 320 HD1 TRP 39 HD1 TRP 39 -1.002 -5.934 -5.059 321 HE1 TRP 39 HE1 TRP 39 -0.047 -7.393 -3.166 322 HE3 TRP 39 HE3 TRP 39 -3.643 -4.010 -1.110 323 HZ2 TRP 39 HZ2 TRP 39 -0.362 -7.701 -0.388 324 HZ3 TRP 39 HZ3 TRP 39 -3.265 -4.951 1.135 325 HH2 TRP 39 HH2 TRP 39 -1.656 -6.763 1.487 326 H ASP 40 H ASP 40 -3.683 -0.715 -3.329 327 HA ASP 40 HA ASP 40 -2.163 -0.530 -0.803 328 HB2 ASP 40 2HB ASP 40 -4.146 1.410 -2.088 329 HB3 ASP 40 1HB ASP 40 -3.520 1.606 -0.453 Start of MODEL 19 1 HA THR 1 HA THR 1 6.087 -6.331 -1.440 2 HB THR 1 HB THR 1 6.848 -6.891 0.837 3 HG1 THR 1 HG1 THR 1 5.168 -8.534 -0.618 4 HG21 THR 1 1HG2 THR 1 5.083 -5.802 2.161 5 HG22 THR 1 2HG2 THR 1 5.272 -7.495 2.621 6 HG23 THR 1 3HG2 THR 1 3.916 -7.003 1.607 7 H GLN 2 H GLN 2 3.559 -4.344 -0.791 8 HA GLN 2 HA GLN 2 1.388 -6.199 -1.436 9 HB2 GLN 2 2HB GLN 2 -0.105 -4.274 -1.138 10 HB3 GLN 2 1HB GLN 2 0.962 -4.460 0.252 11 HG2 GLN 2 2HG GLN 2 2.356 -2.600 -0.590 12 HG3 GLN 2 1HG GLN 2 1.287 -2.410 -1.973 13 HE21 GLN 2 1HE2 GLN 2 -0.830 -1.619 -1.636 14 HE22 GLN 2 2HE2 GLN 2 -1.235 -0.698 -0.234 15 H THR 3 H THR 3 3.364 -6.079 -3.361 16 HA THR 3 HA THR 3 1.967 -5.019 -5.709 17 HB THR 3 HB THR 3 3.582 -3.292 -5.338 18 HG1 THR 3 HG1 THR 3 3.907 -3.435 -7.402 19 HG21 THR 3 1HG2 THR 3 5.760 -5.403 -5.089 20 HG22 THR 3 2HG2 THR 3 5.131 -4.406 -3.774 21 HG23 THR 3 3HG2 THR 3 6.010 -3.656 -5.106 22 H GLN 4 H GLN 4 1.859 -6.475 -7.269 23 HA GLN 4 HA GLN 4 3.625 -8.846 -7.230 24 HB2 GLN 4 2HB GLN 4 0.629 -8.669 -7.724 25 HB3 GLN 4 1HB GLN 4 1.570 -10.028 -8.319 26 HG2 GLN 4 2HG GLN 4 0.561 -10.711 -6.272 27 HG3 GLN 4 1HG GLN 4 2.281 -10.508 -5.958 28 HE21 GLN 4 1HE2 GLN 4 2.061 -10.201 -3.749 29 HE22 GLN 4 2HE2 GLN 4 1.290 -8.827 -3.046 30 H GLU 5 H GLU 5 4.547 -9.423 -9.069 31 HA GLU 5 HA GLU 5 4.439 -7.719 -11.427 32 HB2 GLU 5 2HB GLU 5 6.339 -9.214 -12.213 33 HB3 GLU 5 1HB GLU 5 6.652 -8.395 -10.687 34 HG2 GLU 5 2HG GLU 5 6.127 -10.462 -9.451 35 HG3 GLU 5 1HG GLU 5 5.756 -11.284 -10.961 36 H PHE 6 H PHE 6 3.306 -8.208 -13.252 37 HA PHE 6 HA PHE 6 2.621 -10.997 -13.903 38 HB2 PHE 6 2HB PHE 6 0.582 -8.717 -13.860 39 HB3 PHE 6 1HB PHE 6 0.281 -10.304 -14.560 40 HD1 PHE 6 HD1 PHE 6 -0.410 -8.377 -11.768 41 HD2 PHE 6 HD2 PHE 6 0.939 -12.308 -12.782 42 HE1 PHE 6 HE1 PHE 6 -1.221 -9.220 -9.608 43 HE2 PHE 6 HE2 PHE 6 0.125 -13.141 -10.612 44 HZ PHE 6 HZ PHE 6 -0.957 -11.599 -9.027 45 H ASP 7 H ASP 7 2.522 -11.412 -16.065 46 HA ASP 7 HA ASP 7 2.369 -9.415 -18.110 47 HB2 ASP 7 2HB ASP 7 4.560 -9.887 -19.187 48 HB3 ASP 7 1HB ASP 7 4.770 -9.167 -17.599 49 H ASN 8 H ASN 8 1.309 -10.278 -19.735 50 HA ASN 8 HA ASN 8 0.586 -11.594 -21.398 51 HB2 ASN 8 2HB ASN 8 2.885 -12.396 -21.670 52 HB3 ASN 8 1HB ASN 8 2.630 -13.618 -20.439 53 HD21 ASN 8 1HD2 ASN 8 3.149 -15.317 -21.852 54 HD22 ASN 8 2HD2 ASN 8 2.110 -15.814 -23.139 55 H GLU 9 H GLU 9 0.666 -13.157 -18.215 56 HA GLU 9 HA GLU 9 -1.142 -15.281 -18.908 57 HB2 GLU 9 2HB GLU 9 0.689 -15.496 -17.174 58 HB3 GLU 9 1HB GLU 9 -0.232 -14.427 -16.122 59 HG2 GLU 9 2HG GLU 9 -2.002 -16.039 -15.879 60 HG3 GLU 9 1HG GLU 9 -1.357 -17.036 -17.179 61 H GLU 10 H GLU 10 -1.609 -12.010 -18.022 62 HA GLU 10 HA GLU 10 -3.458 -10.708 -17.962 63 HB2 GLU 10 2HB GLU 10 -4.262 -12.275 -19.767 64 HB3 GLU 10 1HB GLU 10 -5.048 -13.243 -18.531 65 HG2 GLU 10 2HG GLU 10 -6.556 -11.370 -18.002 66 HG3 GLU 10 1HG GLU 10 -5.741 -10.360 -19.191 67 H GLU 11 H GLU 11 -2.569 -12.552 -15.570 68 HA GLU 11 HA GLU 11 -4.759 -12.794 -13.790 69 HB2 GLU 11 2HB GLU 11 -1.807 -12.460 -13.132 70 HB3 GLU 11 1HB GLU 11 -3.052 -12.982 -11.998 71 HG2 GLU 11 2HG GLU 11 -2.142 -14.487 -14.474 72 HG3 GLU 11 1HG GLU 11 -1.699 -14.859 -12.810 73 H ALA 12 H ALA 12 -2.589 -10.145 -14.521 74 HA ALA 12 HA ALA 12 -3.228 -8.331 -12.458 75 HB1 ALA 12 1HB ALA 12 -1.297 -8.048 -13.943 76 HB2 ALA 12 2HB ALA 12 -2.323 -6.614 -13.981 77 HB3 ALA 12 3HB ALA 12 -2.371 -7.773 -15.315 78 H ARG 13 H ARG 13 -4.777 -9.043 -15.558 79 HA ARG 13 HA ARG 13 -6.666 -6.860 -15.503 80 HB2 ARG 13 2HB ARG 13 -6.445 -9.343 -17.243 81 HB3 ARG 13 1HB ARG 13 -7.674 -8.098 -17.481 82 HG2 ARG 13 2HG ARG 13 -4.674 -7.566 -17.595 83 HG3 ARG 13 1HG ARG 13 -5.678 -7.918 -19.011 84 HD2 ARG 13 2HD ARG 13 -6.058 -5.567 -17.108 85 HD3 ARG 13 1HD ARG 13 -5.315 -5.481 -18.709 86 HE ARG 13 HE ARG 13 -7.700 -6.512 -19.330 87 HH11 ARG 13 1HH1 ARG 13 -6.927 -3.749 -17.296 88 HH12 ARG 13 2HH1 ARG 13 -8.440 -2.968 -17.607 89 HH21 ARG 13 1HH2 ARG 13 -9.637 -5.421 -19.755 90 HH22 ARG 13 2HH2 ARG 13 -9.958 -3.900 -18.989 91 H LYS 14 H LYS 14 -6.670 -10.213 -14.496 92 HA LYS 14 HA LYS 14 -9.449 -10.558 -13.985 93 HB2 LYS 14 2HB LYS 14 -6.992 -11.899 -12.794 94 HB3 LYS 14 1HB LYS 14 -8.641 -12.445 -12.492 95 HG2 LYS 14 2HG LYS 14 -8.938 -13.046 -14.820 96 HG3 LYS 14 1HG LYS 14 -7.394 -12.305 -15.258 97 HD2 LYS 14 2HD LYS 14 -7.201 -14.760 -15.139 98 HD3 LYS 14 1HD LYS 14 -6.183 -13.974 -13.932 99 HE2 LYS 14 2HE LYS 14 -7.998 -14.421 -12.226 100 HE3 LYS 14 1HE LYS 14 -8.839 -15.373 -13.454 101 HZ1 LYS 14 1HZ LYS 14 -6.136 -15.889 -12.359 102 HZ2 LYS 14 2HZ LYS 14 -6.853 -16.768 -13.604 103 HZ3 LYS 14 3HZ LYS 14 -7.539 -16.792 -12.063 104 H ALA 15 H ALA 15 -6.708 -9.566 -11.949 105 HA ALA 15 HA ALA 15 -8.166 -9.064 -9.550 106 HB1 ALA 15 1HB ALA 15 -5.486 -7.926 -10.439 107 HB2 ALA 15 2HB ALA 15 -5.721 -9.433 -9.552 108 HB3 ALA 15 3HB ALA 15 -6.128 -7.894 -8.790 109 H GLU 16 H GLU 16 -7.100 -7.036 -12.247 110 HA GLU 16 HA GLU 16 -7.655 -4.441 -11.539 111 HB2 GLU 16 2HB GLU 16 -6.614 -5.088 -13.674 112 HB3 GLU 16 1HB GLU 16 -8.106 -5.819 -14.222 113 HG2 GLU 16 2HG GLU 16 -7.813 -3.750 -15.386 114 HG3 GLU 16 1HG GLU 16 -9.171 -3.569 -14.268 115 H LYS 17 H LYS 17 -9.917 -6.877 -12.685 116 HA LYS 17 HA LYS 17 -12.168 -5.312 -13.256 117 HB2 LYS 17 2HB LYS 17 -11.835 -7.642 -14.021 118 HB3 LYS 17 1HB LYS 17 -12.003 -8.216 -12.366 119 HG2 LYS 17 2HG LYS 17 -14.363 -7.427 -12.333 120 HG3 LYS 17 1HG LYS 17 -14.198 -6.876 -14.007 121 HD2 LYS 17 2HD LYS 17 -13.945 -9.757 -13.020 122 HD3 LYS 17 1HD LYS 17 -15.327 -9.081 -13.891 123 HE2 LYS 17 2HE LYS 17 -13.933 -8.725 -15.882 124 HE3 LYS 17 1HE LYS 17 -12.501 -9.282 -15.013 125 HZ1 LYS 17 1HZ LYS 17 -13.502 -11.454 -14.802 126 HZ2 LYS 17 2HZ LYS 17 -13.427 -10.995 -16.430 127 HZ3 LYS 17 3HZ LYS 17 -14.893 -10.927 -15.600 128 H GLU 18 H GLU 18 -11.272 -7.032 -10.217 129 HA GLU 18 HA GLU 18 -13.485 -5.678 -8.764 130 HB2 GLU 18 2HB GLU 18 -12.797 -8.652 -8.680 131 HB3 GLU 18 1HB GLU 18 -13.889 -7.869 -7.537 132 HG2 GLU 18 2HG GLU 18 -15.461 -7.350 -9.314 133 HG3 GLU 18 1HG GLU 18 -14.337 -7.943 -10.540 134 H LEU 19 H LEU 19 -10.481 -5.266 -8.849 135 HA LEU 19 HA LEU 19 -9.540 -5.967 -6.229 136 HB2 LEU 19 2HB LEU 19 -8.044 -5.427 -8.215 137 HB3 LEU 19 1HB LEU 19 -8.444 -3.742 -7.997 138 HG LEU 19 HG LEU 19 -6.181 -4.563 -7.073 139 HD11 LEU 19 1HD1 LEU 19 -7.042 -2.377 -6.485 140 HD12 LEU 19 2HD1 LEU 19 -6.199 -3.104 -5.119 141 HD13 LEU 19 3HD1 LEU 19 -7.966 -3.062 -5.147 142 HD21 LEU 19 1HD2 LEU 19 -6.118 -5.620 -4.882 143 HD22 LEU 19 2HD2 LEU 19 -6.961 -6.650 -6.038 144 HD23 LEU 19 3HD2 LEU 19 -7.881 -5.726 -4.845 145 H ARG 20 H ARG 20 -11.190 -3.185 -7.638 146 HA ARG 20 HA ARG 20 -11.172 -1.588 -5.265 147 HB2 ARG 20 2HB ARG 20 -12.873 -1.429 -7.772 148 HB3 ARG 20 1HB ARG 20 -12.920 -0.228 -6.478 149 HG2 ARG 20 2HG ARG 20 -10.548 0.321 -6.882 150 HG3 ARG 20 1HG ARG 20 -10.458 -0.920 -8.138 151 HD2 ARG 20 2HD ARG 20 -12.278 1.516 -8.222 152 HD3 ARG 20 1HD ARG 20 -10.717 1.391 -9.038 153 HE ARG 20 HE ARG 20 -11.716 -0.570 -10.261 154 HH11 ARG 20 1HH1 ARG 20 -13.835 1.952 -9.054 155 HH12 ARG 20 2HH1 ARG 20 -14.994 1.743 -10.322 156 HH21 ARG 20 1HH2 ARG 20 -13.253 -0.852 -11.881 157 HH22 ARG 20 2HH2 ARG 20 -14.658 0.160 -11.926 158 H LYS 21 H LYS 21 -12.810 -4.435 -5.987 159 HA LYS 21 HA LYS 21 -15.090 -3.940 -4.218 160 HB2 LYS 21 2HB LYS 21 -15.343 -5.356 -6.275 161 HB3 LYS 21 1HB LYS 21 -14.216 -6.519 -5.603 162 HG2 LYS 21 2HG LYS 21 -16.444 -7.382 -5.324 163 HG3 LYS 21 1HG LYS 21 -15.838 -6.950 -3.728 164 HD2 LYS 21 2HD LYS 21 -17.565 -4.968 -5.258 165 HD3 LYS 21 1HD LYS 21 -18.329 -6.336 -4.453 166 HE2 LYS 21 2HE LYS 21 -17.436 -5.602 -2.287 167 HE3 LYS 21 1HE LYS 21 -16.566 -4.287 -3.063 168 HZ1 LYS 21 1HZ LYS 21 -18.474 -3.363 -2.162 169 HZ2 LYS 21 2HZ LYS 21 -19.467 -4.599 -2.738 170 HZ3 LYS 21 3HZ LYS 21 -18.797 -3.483 -3.814 171 H GLU 22 H GLU 22 -11.908 -5.422 -4.198 172 HA GLU 22 HA GLU 22 -12.219 -6.534 -1.496 173 HB2 GLU 22 2HB GLU 22 -11.099 -7.925 -3.213 174 HB3 GLU 22 1HB GLU 22 -9.896 -6.660 -3.487 175 HG2 GLU 22 2HG GLU 22 -9.142 -6.937 -1.103 176 HG3 GLU 22 1HG GLU 22 -10.292 -8.273 -0.942 177 H ASN 23 H ASN 23 -9.633 -4.675 -3.088 178 HA ASN 23 HA ASN 23 -9.078 -3.119 -0.660 179 HB2 ASN 23 2HB ASN 23 -7.397 -3.581 -3.158 180 HB3 ASN 23 1HB ASN 23 -6.853 -2.728 -1.716 181 HD21 ASN 23 1HD2 ASN 23 -5.814 -5.170 -3.046 182 HD22 ASN 23 2HD2 ASN 23 -5.792 -6.383 -1.818 183 H ARG 24 H ARG 24 -7.750 -0.952 -1.833 184 HA ARG 24 HA ARG 24 -10.021 0.725 -2.431 185 HB2 ARG 24 2HB ARG 24 -8.252 1.445 -0.865 186 HB3 ARG 24 1HB ARG 24 -7.052 1.375 -2.148 187 HG2 ARG 24 2HG ARG 24 -8.227 3.214 -3.333 188 HG3 ARG 24 1HG ARG 24 -9.419 3.278 -2.030 189 HD2 ARG 24 2HD ARG 24 -6.436 3.805 -1.685 190 HD3 ARG 24 1HD ARG 24 -7.668 5.049 -1.872 191 HE ARG 24 HE ARG 24 -8.591 4.449 0.246 192 HH11 ARG 24 1HH1 ARG 24 -5.556 2.798 -0.363 193 HH12 ARG 24 2HH1 ARG 24 -5.207 2.601 1.322 194 HH21 ARG 24 1HH2 ARG 24 -8.111 4.124 2.439 195 HH22 ARG 24 2HH2 ARG 24 -6.640 3.322 2.881 196 H ARG 25 H ARG 25 -6.874 0.204 -4.135 197 HA ARG 25 HA ARG 25 -8.027 0.519 -6.773 198 HB2 ARG 25 2HB ARG 25 -7.997 2.883 -5.934 199 HB3 ARG 25 1HB ARG 25 -6.266 2.748 -5.645 200 HG2 ARG 25 2HG ARG 25 -5.979 2.351 -8.137 201 HG3 ARG 25 1HG ARG 25 -7.696 2.728 -8.330 202 HD2 ARG 25 2HD ARG 25 -5.571 4.602 -7.205 203 HD3 ARG 25 1HD ARG 25 -6.265 4.668 -8.829 204 HE ARG 25 HE ARG 25 -8.047 4.917 -6.508 205 HH11 ARG 25 1HH1 ARG 25 -6.619 6.411 -9.338 206 HH12 ARG 25 2HH1 ARG 25 -7.584 7.845 -9.211 207 HH21 ARG 25 1HH2 ARG 25 -9.297 6.789 -6.350 208 HH22 ARG 25 2HH2 ARG 25 -9.092 8.061 -7.509 209 H VAL 26 H VAL 26 -6.524 0.073 -8.446 210 HA VAL 26 HA VAL 26 -3.909 -1.066 -7.681 211 HB VAL 26 HB VAL 26 -3.797 -1.799 -10.120 212 HG11 VAL 26 1HG1 VAL 26 -6.221 -2.799 -8.585 213 HG12 VAL 26 2HG1 VAL 26 -4.559 -3.353 -8.375 214 HG13 VAL 26 3HG1 VAL 26 -5.399 -3.652 -9.897 215 HG21 VAL 26 1HG2 VAL 26 -5.312 -0.121 -11.111 216 HG22 VAL 26 2HG2 VAL 26 -6.677 -0.805 -10.227 217 HG23 VAL 26 3HG2 VAL 26 -5.874 -1.753 -11.482 218 H THR 27 H THR 27 -1.988 -0.239 -8.376 219 HA THR 27 HA THR 27 -1.906 2.078 -10.210 220 HB THR 27 HB THR 27 -0.253 1.825 -7.647 221 HG1 THR 27 HG1 THR 27 -1.895 2.756 -6.735 222 HG21 THR 27 1HG2 THR 27 0.484 4.140 -8.137 223 HG22 THR 27 2HG2 THR 27 -0.415 4.116 -9.653 224 HG23 THR 27 3HG2 THR 27 0.965 3.037 -9.433 225 H VAL 28 H VAL 28 -0.920 1.156 -11.966 226 HA VAL 28 HA VAL 28 0.985 -0.994 -11.712 227 HB VAL 28 HB VAL 28 -0.517 -0.989 -13.637 228 HG11 VAL 28 1HG1 VAL 28 -0.359 0.657 -15.484 229 HG12 VAL 28 2HG1 VAL 28 0.826 1.578 -14.556 230 HG13 VAL 28 3HG1 VAL 28 -0.827 1.427 -13.963 231 HG21 VAL 28 1HG2 VAL 28 1.671 -2.110 -13.907 232 HG22 VAL 28 2HG2 VAL 28 2.378 -0.615 -14.521 233 HG23 VAL 28 3HG2 VAL 28 1.126 -1.442 -15.451 234 H THR 29 H THR 29 3.089 -0.806 -11.416 235 HA THR 29 HA THR 29 4.549 1.669 -11.535 236 HB THR 29 HB THR 29 5.615 -1.179 -11.189 237 HG1 THR 29 HG1 THR 29 4.549 0.706 -9.359 238 HG21 THR 29 1HG2 THR 29 7.544 -0.093 -10.072 239 HG22 THR 29 2HG2 THR 29 6.868 1.498 -10.431 240 HG23 THR 29 3HG2 THR 29 7.406 0.451 -11.746 241 H GLN 30 H GLN 30 5.839 2.384 -13.185 242 HA GLN 30 HA GLN 30 5.620 1.351 -15.811 243 HB2 GLN 30 2HB GLN 30 7.385 3.089 -16.368 244 HB3 GLN 30 1HB GLN 30 5.943 3.701 -15.567 245 HG2 GLN 30 2HG GLN 30 7.142 3.862 -13.446 246 HG3 GLN 30 1HG GLN 30 8.578 3.143 -14.166 247 HE21 GLN 30 1HE2 GLN 30 8.269 5.733 -12.843 248 HE22 GLN 30 2HE2 GLN 30 8.777 6.921 -13.987 249 H GLU 31 H GLU 31 6.232 -0.816 -15.637 250 HA GLU 31 HA GLU 31 9.125 -1.410 -15.354 251 HB2 GLU 31 2HB GLU 31 7.672 -2.551 -13.695 252 HB3 GLU 31 1HB GLU 31 6.717 -3.256 -14.989 253 HG2 GLU 31 2HG GLU 31 8.244 -4.916 -14.101 254 HG3 GLU 31 1HG GLU 31 8.680 -4.526 -15.761 255 H ASN 32 H ASN 32 10.158 -2.266 -17.083 256 HA ASN 32 HA ASN 32 8.838 -2.141 -19.664 257 HB2 ASN 32 2HB ASN 32 11.132 -1.210 -19.295 258 HB3 ASN 32 1HB ASN 32 11.731 -2.833 -18.991 259 HD21 ASN 32 1HD2 ASN 32 13.161 -2.808 -20.742 260 HD22 ASN 32 2HD2 ASN 32 12.645 -2.826 -22.392 261 H GLY 33 H GLY 33 7.800 -3.845 -20.468 262 HA2 GLY 33 2HA GLY 33 7.737 -6.000 -21.434 263 HA3 GLY 33 1HA GLY 33 8.888 -6.577 -20.240 264 H ARG 34 H ARG 34 7.439 -5.357 -17.994 265 HA ARG 34 HA ARG 34 5.302 -7.402 -17.735 266 HB2 ARG 34 2HB ARG 34 7.118 -6.186 -15.607 267 HB3 ARG 34 1HB ARG 34 5.806 -7.322 -15.286 268 HG2 ARG 34 2HG ARG 34 6.945 -9.094 -16.456 269 HG3 ARG 34 1HG ARG 34 8.186 -7.982 -17.055 270 HD2 ARG 34 2HD ARG 34 9.057 -7.652 -14.829 271 HD3 ARG 34 1HD ARG 34 7.699 -8.525 -14.108 272 HE ARG 34 HE ARG 34 9.200 -10.150 -15.937 273 HH11 ARG 34 1HH1 ARG 34 9.292 -8.882 -12.662 274 HH12 ARG 34 2HH1 ARG 34 10.107 -10.269 -12.016 275 HH21 ARG 34 1HH2 ARG 34 10.296 -11.946 -15.087 276 HH22 ARG 34 2HH2 ARG 34 10.685 -11.997 -13.398 277 H TRP 35 H TRP 35 3.276 -6.706 -17.301 278 HA TRP 35 HA TRP 35 2.689 -3.967 -16.506 279 HB2 TRP 35 2HB TRP 35 1.212 -5.322 -18.088 280 HB3 TRP 35 1HB TRP 35 0.786 -6.354 -16.726 281 HD1 TRP 35 HD1 TRP 35 -1.178 -5.518 -15.203 282 HE1 TRP 35 HE1 TRP 35 -2.678 -3.444 -15.161 283 HE3 TRP 35 HE3 TRP 35 1.347 -2.634 -18.581 284 HZ2 TRP 35 HZ2 TRP 35 -2.790 -0.912 -16.380 285 HZ3 TRP 35 HZ3 TRP 35 0.477 -0.388 -19.092 286 HH2 TRP 35 HH2 TRP 35 -1.551 0.457 -18.012 287 H ARG 36 H ARG 36 4.029 -4.082 -14.641 288 HA ARG 36 HA ARG 36 3.496 -5.972 -12.498 289 HB2 ARG 36 2HB ARG 36 5.818 -5.315 -13.132 290 HB3 ARG 36 1HB ARG 36 5.482 -3.653 -12.676 291 HG2 ARG 36 2HG ARG 36 5.191 -5.832 -10.604 292 HG3 ARG 36 1HG ARG 36 6.805 -5.300 -11.063 293 HD2 ARG 36 2HD ARG 36 6.091 -2.935 -10.496 294 HD3 ARG 36 1HD ARG 36 4.603 -3.622 -9.831 295 HE ARG 36 HE ARG 36 5.920 -4.801 -8.198 296 HH11 ARG 36 1HH1 ARG 36 7.675 -2.265 -9.899 297 HH12 ARG 36 2HH1 ARG 36 8.879 -2.113 -8.662 298 HH21 ARG 36 1HH2 ARG 36 7.471 -4.565 -6.597 299 HH22 ARG 36 2HH2 ARG 36 8.770 -3.433 -6.801 300 H VAL 37 H VAL 37 1.801 -5.614 -11.241 301 HA VAL 37 HA VAL 37 0.653 -2.924 -10.967 302 HB VAL 37 HB VAL 37 -0.540 -5.656 -10.301 303 HG11 VAL 37 1HG1 VAL 37 -2.717 -4.463 -10.107 304 HG12 VAL 37 2HG1 VAL 37 -1.884 -2.922 -10.304 305 HG13 VAL 37 3HG1 VAL 37 -1.564 -3.920 -8.884 306 HG21 VAL 37 1HG2 VAL 37 -0.193 -5.356 -12.721 307 HG22 VAL 37 2HG2 VAL 37 -1.068 -3.822 -12.666 308 HG23 VAL 37 3HG2 VAL 37 -1.916 -5.332 -12.329 309 H THR 38 H THR 38 1.177 -1.810 -9.200 310 HA THR 38 HA THR 38 1.509 -3.145 -6.581 311 HB THR 38 HB THR 38 1.891 -0.201 -7.338 312 HG1 THR 38 HG1 THR 38 3.775 -0.801 -8.030 313 HG21 THR 38 1HG2 THR 38 1.399 -0.483 -4.931 314 HG22 THR 38 2HG2 THR 38 3.080 -0.007 -5.169 315 HG23 THR 38 3HG2 THR 38 2.686 -1.687 -4.796 316 H TRP 39 H TRP 39 -0.570 -3.613 -5.842 317 HA TRP 39 HA TRP 39 -2.764 -1.747 -6.258 318 HB2 TRP 39 2HB TRP 39 -4.138 -3.370 -4.969 319 HB3 TRP 39 1HB TRP 39 -3.289 -4.140 -6.302 320 HD1 TRP 39 HD1 TRP 39 -1.589 -6.075 -5.713 321 HE1 TRP 39 HE1 TRP 39 -1.018 -7.337 -3.556 322 HE3 TRP 39 HE3 TRP 39 -3.896 -3.016 -2.307 323 HZ2 TRP 39 HZ2 TRP 39 -1.472 -7.095 -0.790 324 HZ3 TRP 39 HZ3 TRP 39 -3.773 -3.598 0.076 325 HH2 TRP 39 HH2 TRP 39 -2.585 -5.602 0.819 326 H ASP 40 H ASP 40 -4.134 -1.320 -4.236 327 HA ASP 40 HA ASP 40 -2.607 -0.493 -1.890 328 HB2 ASP 40 2HB ASP 40 -2.348 1.399 -3.487 329 HB3 ASP 40 1HB ASP 40 -4.098 1.490 -3.682 Start of MODEL 20 1 HA THR 1 HA THR 1 5.084 -7.955 -0.542 2 HB THR 1 HB THR 1 6.097 -9.729 -1.887 3 HG1 THR 1 HG1 THR 1 5.979 -8.341 -4.050 4 HG21 THR 1 1HG2 THR 1 4.056 -10.839 -2.727 5 HG22 THR 1 2HG2 THR 1 5.164 -10.460 -4.046 6 HG23 THR 1 3HG2 THR 1 3.734 -9.461 -3.784 7 H GLN 2 H GLN 2 4.604 -5.971 -1.503 8 HA GLN 2 HA GLN 2 1.845 -5.447 -2.196 9 HB2 GLN 2 2HB GLN 2 4.283 -3.624 -2.163 10 HB3 GLN 2 1HB GLN 2 2.693 -3.072 -2.657 11 HG2 GLN 2 2HG GLN 2 2.986 -2.370 -0.414 12 HG3 GLN 2 1HG GLN 2 1.844 -3.714 -0.375 13 HE21 GLN 2 1HE2 GLN 2 5.116 -2.697 0.356 14 HE22 GLN 2 2HE2 GLN 2 5.491 -3.992 1.436 15 H THR 3 H THR 3 4.948 -5.398 -3.908 16 HA THR 3 HA THR 3 3.763 -4.922 -6.503 17 HB THR 3 HB THR 3 6.158 -5.313 -7.313 18 HG1 THR 3 HG1 THR 3 6.778 -6.651 -5.498 19 HG21 THR 3 1HG2 THR 3 5.338 -3.040 -6.801 20 HG22 THR 3 2HG2 THR 3 7.043 -3.213 -6.378 21 HG23 THR 3 3HG2 THR 3 5.813 -3.246 -5.112 22 H GLN 4 H GLN 4 2.975 -6.464 -7.785 23 HA GLN 4 HA GLN 4 4.200 -9.149 -7.783 24 HB2 GLN 4 2HB GLN 4 2.113 -9.391 -6.515 25 HB3 GLN 4 1HB GLN 4 1.196 -8.590 -7.785 26 HG2 GLN 4 2HG GLN 4 0.857 -11.016 -7.832 27 HG3 GLN 4 1HG GLN 4 1.621 -10.449 -9.313 28 HE21 GLN 4 1HE2 GLN 4 2.499 -12.417 -9.856 29 HE22 GLN 4 2HE2 GLN 4 3.767 -13.175 -8.963 30 H GLU 5 H GLU 5 4.698 -9.829 -9.750 31 HA GLU 5 HA GLU 5 4.214 -8.152 -12.060 32 HB2 GLU 5 2HB GLU 5 6.457 -9.118 -11.697 33 HB3 GLU 5 1HB GLU 5 5.790 -10.751 -11.749 34 HG2 GLU 5 2HG GLU 5 5.062 -10.301 -14.117 35 HG3 GLU 5 1HG GLU 5 5.892 -8.751 -14.033 36 H PHE 6 H PHE 6 2.845 -8.605 -13.666 37 HA PHE 6 HA PHE 6 1.551 -11.248 -13.834 38 HB2 PHE 6 2HB PHE 6 0.236 -8.502 -14.128 39 HB3 PHE 6 1HB PHE 6 -0.530 -10.009 -14.628 40 HD1 PHE 6 HD1 PHE 6 0.007 -7.772 -11.867 41 HD2 PHE 6 HD2 PHE 6 -0.820 -11.843 -12.840 42 HE1 PHE 6 HE1 PHE 6 -0.794 -8.177 -9.576 43 HE2 PHE 6 HE2 PHE 6 -1.621 -12.234 -10.557 44 HZ PHE 6 HZ PHE 6 -1.606 -10.402 -8.920 45 H ASP 7 H ASP 7 1.703 -12.126 -15.750 46 HA ASP 7 HA ASP 7 3.141 -10.921 -17.913 47 HB2 ASP 7 2HB ASP 7 3.291 -13.341 -17.283 48 HB3 ASP 7 1HB ASP 7 1.611 -13.562 -17.751 49 H ASN 8 H ASN 8 2.239 -10.937 -20.165 50 HA ASN 8 HA ASN 8 -0.040 -9.202 -20.273 51 HB2 ASN 8 2HB ASN 8 2.093 -9.102 -21.687 52 HB3 ASN 8 1HB ASN 8 1.460 -10.452 -22.611 53 HD21 ASN 8 1HD2 ASN 8 -0.317 -10.092 -24.006 54 HD22 ASN 8 2HD2 ASN 8 -0.794 -8.503 -24.476 55 H GLU 9 H GLU 9 0.085 -12.500 -20.046 56 HA GLU 9 HA GLU 9 -2.080 -13.292 -21.768 57 HB2 GLU 9 2HB GLU 9 0.025 -14.639 -20.697 58 HB3 GLU 9 1HB GLU 9 -1.168 -15.019 -19.467 59 HG2 GLU 9 2HG GLU 9 -1.428 -15.612 -22.432 60 HG3 GLU 9 1HG GLU 9 -0.923 -16.774 -21.211 61 H GLU 10 H GLU 10 -2.762 -11.095 -19.981 62 HA GLU 10 HA GLU 10 -4.673 -10.306 -19.067 63 HB2 GLU 10 2HB GLU 10 -5.714 -11.873 -20.720 64 HB3 GLU 10 1HB GLU 10 -5.752 -13.128 -19.488 65 HG2 GLU 10 2HG GLU 10 -7.323 -11.747 -18.161 66 HG3 GLU 10 1HG GLU 10 -7.268 -10.505 -19.411 67 H GLU 11 H GLU 11 -2.600 -12.091 -17.451 68 HA GLU 11 HA GLU 11 -3.915 -12.993 -15.101 69 HB2 GLU 11 2HB GLU 11 -1.048 -11.988 -15.338 70 HB3 GLU 11 1HB GLU 11 -1.710 -12.955 -14.022 71 HG2 GLU 11 2HG GLU 11 -2.184 -14.754 -15.762 72 HG3 GLU 11 1HG GLU 11 -1.190 -13.811 -16.876 73 H ALA 12 H ALA 12 -2.736 -9.900 -16.134 74 HA ALA 12 HA ALA 12 -2.797 -8.273 -13.910 75 HB1 ALA 12 1HB ALA 12 -3.213 -6.428 -15.492 76 HB2 ALA 12 2HB ALA 12 -3.711 -7.592 -16.726 77 HB3 ALA 12 3HB ALA 12 -2.043 -7.576 -16.152 78 H ARG 13 H ARG 13 -5.490 -9.282 -15.968 79 HA ARG 13 HA ARG 13 -7.471 -7.552 -14.871 80 HB2 ARG 13 2HB ARG 13 -7.825 -10.085 -16.531 81 HB3 ARG 13 1HB ARG 13 -9.066 -8.866 -16.240 82 HG2 ARG 13 2HG ARG 13 -6.474 -8.453 -17.772 83 HG3 ARG 13 1HG ARG 13 -8.087 -8.631 -18.473 84 HD2 ARG 13 2HD ARG 13 -8.809 -6.546 -17.413 85 HD3 ARG 13 1HD ARG 13 -7.238 -6.376 -16.615 86 HE ARG 13 HE ARG 13 -7.096 -6.556 -19.505 87 HH11 ARG 13 1HH1 ARG 13 -7.485 -4.311 -16.811 88 HH12 ARG 13 2HH1 ARG 13 -6.875 -2.960 -17.713 89 HH21 ARG 13 1HH2 ARG 13 -6.298 -4.766 -20.646 90 HH22 ARG 13 2HH2 ARG 13 -6.205 -3.214 -19.873 91 H LYS 14 H LYS 14 -6.334 -10.752 -14.072 92 HA LYS 14 HA LYS 14 -8.584 -11.687 -12.616 93 HB2 LYS 14 2HB LYS 14 -6.720 -13.109 -13.569 94 HB3 LYS 14 1HB LYS 14 -5.673 -12.528 -12.277 95 HG2 LYS 14 2HG LYS 14 -7.054 -13.603 -10.594 96 HG3 LYS 14 1HG LYS 14 -8.266 -14.033 -11.805 97 HD2 LYS 14 2HD LYS 14 -6.513 -15.467 -12.942 98 HD3 LYS 14 1HD LYS 14 -5.433 -15.126 -11.586 99 HE2 LYS 14 2HE LYS 14 -8.142 -16.488 -11.344 100 HE3 LYS 14 1HE LYS 14 -6.594 -17.330 -11.395 101 HZ1 LYS 14 1HZ LYS 14 -7.433 -15.388 -9.308 102 HZ2 LYS 14 2HZ LYS 14 -5.952 -16.195 -9.358 103 HZ3 LYS 14 3HZ LYS 14 -7.378 -17.066 -9.139 104 H ALA 15 H ALA 15 -5.531 -10.138 -11.583 105 HA ALA 15 HA ALA 15 -6.234 -9.969 -8.800 106 HB1 ALA 15 1HB ALA 15 -4.210 -8.606 -8.575 107 HB2 ALA 15 2HB ALA 15 -4.073 -8.504 -10.333 108 HB3 ALA 15 3HB ALA 15 -3.895 -10.060 -9.524 109 H GLU 16 H GLU 16 -6.438 -7.809 -11.564 110 HA GLU 16 HA GLU 16 -7.137 -5.392 -10.301 111 HB2 GLU 16 2HB GLU 16 -6.456 -5.616 -12.671 112 HB3 GLU 16 1HB GLU 16 -7.928 -6.506 -13.024 113 HG2 GLU 16 2HG GLU 16 -9.261 -4.474 -12.534 114 HG3 GLU 16 1HG GLU 16 -7.768 -3.589 -12.212 115 H LYS 17 H LYS 17 -9.026 -8.202 -11.215 116 HA LYS 17 HA LYS 17 -11.621 -7.119 -10.705 117 HB2 LYS 17 2HB LYS 17 -11.088 -9.025 -12.275 118 HB3 LYS 17 1HB LYS 17 -10.781 -10.040 -10.870 119 HG2 LYS 17 2HG LYS 17 -13.113 -9.812 -10.162 120 HG3 LYS 17 1HG LYS 17 -13.432 -8.701 -11.497 121 HD2 LYS 17 2HD LYS 17 -12.881 -10.565 -13.103 122 HD3 LYS 17 1HD LYS 17 -12.703 -11.650 -11.720 123 HE2 LYS 17 2HE LYS 17 -15.256 -10.182 -12.483 124 HE3 LYS 17 1HE LYS 17 -14.914 -11.882 -12.812 125 HZ1 LYS 17 1HZ LYS 17 -16.288 -11.606 -10.846 126 HZ2 LYS 17 2HZ LYS 17 -15.099 -10.660 -10.108 127 HZ3 LYS 17 3HZ LYS 17 -14.796 -12.289 -10.440 128 H GLU 18 H GLU 18 -9.169 -8.554 -8.694 129 HA GLU 18 HA GLU 18 -10.933 -9.106 -6.443 130 HB2 GLU 18 2HB GLU 18 -7.880 -9.110 -6.568 131 HB3 GLU 18 1HB GLU 18 -8.871 -9.780 -5.270 132 HG2 GLU 18 2HG GLU 18 -8.729 -10.785 -8.132 133 HG3 GLU 18 1HG GLU 18 -7.988 -11.539 -6.722 134 H LEU 19 H LEU 19 -8.493 -6.711 -7.369 135 HA LEU 19 HA LEU 19 -8.701 -5.220 -4.874 136 HB2 LEU 19 2HB LEU 19 -6.910 -5.037 -7.300 137 HB3 LEU 19 1HB LEU 19 -6.970 -3.712 -6.160 138 HG LEU 19 HG LEU 19 -5.031 -5.063 -5.695 139 HD11 LEU 19 1HD1 LEU 19 -7.107 -5.504 -3.537 140 HD12 LEU 19 2HD1 LEU 19 -6.121 -4.058 -3.772 141 HD13 LEU 19 3HD1 LEU 19 -5.353 -5.580 -3.333 142 HD21 LEU 19 1HD2 LEU 19 -5.113 -7.422 -5.014 143 HD22 LEU 19 2HD2 LEU 19 -5.704 -7.200 -6.659 144 HD23 LEU 19 3HD2 LEU 19 -6.850 -7.466 -5.345 145 H ARG 20 H ARG 20 -10.787 -5.304 -7.304 146 HA ARG 20 HA ARG 20 -11.410 -2.422 -7.151 147 HB2 ARG 20 2HB ARG 20 -13.164 -2.837 -8.814 148 HB3 ARG 20 1HB ARG 20 -11.606 -3.416 -9.396 149 HG2 ARG 20 2HG ARG 20 -12.252 -5.728 -8.837 150 HG3 ARG 20 1HG ARG 20 -13.814 -5.156 -8.247 151 HD2 ARG 20 2HD ARG 20 -13.917 -6.101 -10.551 152 HD3 ARG 20 1HD ARG 20 -14.438 -4.417 -10.474 153 HE ARG 20 HE ARG 20 -11.970 -3.982 -11.179 154 HH11 ARG 20 1HH1 ARG 20 -13.908 -6.666 -12.338 155 HH12 ARG 20 2HH1 ARG 20 -13.181 -6.654 -13.908 156 HH21 ARG 20 1HH2 ARG 20 -11.034 -3.972 -13.222 157 HH22 ARG 20 2HH2 ARG 20 -11.540 -5.138 -14.404 158 H LYS 21 H LYS 21 -11.936 -5.225 -5.400 159 HA LYS 21 HA LYS 21 -14.607 -4.817 -4.462 160 HB2 LYS 21 2HB LYS 21 -13.480 -6.977 -4.140 161 HB3 LYS 21 1HB LYS 21 -12.228 -6.227 -3.172 162 HG2 LYS 21 2HG LYS 21 -15.099 -6.111 -2.232 163 HG3 LYS 21 1HG LYS 21 -14.183 -7.604 -2.038 164 HD2 LYS 21 2HD LYS 21 -12.578 -6.535 -0.603 165 HD3 LYS 21 1HD LYS 21 -13.200 -4.934 -0.979 166 HE2 LYS 21 2HE LYS 21 -15.354 -5.588 0.157 167 HE3 LYS 21 1HE LYS 21 -14.559 -7.081 0.669 168 HZ1 LYS 21 1HZ LYS 21 -14.473 -5.373 2.380 169 HZ2 LYS 21 2HZ LYS 21 -13.652 -4.325 1.338 170 HZ3 LYS 21 3HZ LYS 21 -12.917 -5.760 1.845 171 H GLU 22 H GLU 22 -15.114 -2.826 -3.737 172 HA GLU 22 HA GLU 22 -15.469 -1.184 -2.237 173 HB2 GLU 22 2HB GLU 22 -15.051 -2.847 -0.485 174 HB3 GLU 22 1HB GLU 22 -13.317 -2.572 -0.587 175 HG2 GLU 22 2HG GLU 22 -13.617 -0.283 0.287 176 HG3 GLU 22 1HG GLU 22 -15.366 -0.539 0.348 177 H ASN 23 H ASN 23 -12.255 -1.664 -3.458 178 HA ASN 23 HA ASN 23 -11.641 1.199 -3.294 179 HB2 ASN 23 2HB ASN 23 -9.294 0.654 -2.647 180 HB3 ASN 23 1HB ASN 23 -10.462 0.186 -1.424 181 HD21 ASN 23 1HD2 ASN 23 -9.125 -1.308 -0.458 182 HD22 ASN 23 2HD2 ASN 23 -8.667 -2.800 -1.198 183 H ARG 24 H ARG 24 -9.490 1.513 -4.621 184 HA ARG 24 HA ARG 24 -9.467 -0.137 -7.086 185 HB2 ARG 24 2HB ARG 24 -9.067 2.006 -8.369 186 HB3 ARG 24 1HB ARG 24 -10.671 1.906 -7.650 187 HG2 ARG 24 2HG ARG 24 -9.967 3.402 -5.823 188 HG3 ARG 24 1HG ARG 24 -8.340 3.494 -6.506 189 HD2 ARG 24 2HD ARG 24 -9.739 5.469 -7.075 190 HD3 ARG 24 1HD ARG 24 -9.195 4.584 -8.506 191 HE ARG 24 HE ARG 24 -11.748 3.665 -7.667 192 HH11 ARG 24 1HH1 ARG 24 -10.248 6.387 -9.316 193 HH12 ARG 24 2HH1 ARG 24 -11.677 6.749 -10.225 194 HH21 ARG 24 1HH2 ARG 24 -13.576 4.158 -8.882 195 HH22 ARG 24 2HH2 ARG 24 -13.546 5.502 -9.970 196 H ARG 25 H ARG 25 -7.873 -0.719 -5.021 197 HA ARG 25 HA ARG 25 -5.462 0.902 -4.904 198 HB2 ARG 25 2HB ARG 25 -6.613 -0.126 -2.892 199 HB3 ARG 25 1HB ARG 25 -6.107 -1.702 -3.474 200 HG2 ARG 25 2HG ARG 25 -4.644 -0.927 -1.689 201 HG3 ARG 25 1HG ARG 25 -3.750 -1.078 -3.201 202 HD2 ARG 25 2HD ARG 25 -3.699 1.307 -3.509 203 HD3 ARG 25 1HD ARG 25 -4.869 1.565 -2.207 204 HE ARG 25 HE ARG 25 -2.840 0.336 -0.916 205 HH11 ARG 25 1HH1 ARG 25 -2.783 3.105 -3.093 206 HH12 ARG 25 2HH1 ARG 25 -1.533 3.913 -2.205 207 HH21 ARG 25 1HH2 ARG 25 -1.227 1.423 0.227 208 HH22 ARG 25 2HH2 ARG 25 -0.632 2.945 -0.353 209 H VAL 26 H VAL 26 -5.261 0.342 -7.319 210 HA VAL 26 HA VAL 26 -3.209 -1.751 -7.621 211 HB VAL 26 HB VAL 26 -4.039 -1.926 -10.105 212 HG11 VAL 26 1HG1 VAL 26 -5.722 -3.182 -7.905 213 HG12 VAL 26 2HG1 VAL 26 -4.196 -3.806 -8.532 214 HG13 VAL 26 3HG1 VAL 26 -5.617 -3.753 -9.574 215 HG21 VAL 26 1HG2 VAL 26 -5.652 -0.048 -10.064 216 HG22 VAL 26 2HG2 VAL 26 -6.622 -0.891 -8.854 217 HG23 VAL 26 3HG2 VAL 26 -6.460 -1.562 -10.479 218 H THR 27 H THR 27 -1.490 -0.387 -7.507 219 HA THR 27 HA THR 27 -1.331 2.003 -9.213 220 HB THR 27 HB THR 27 0.603 0.913 -7.109 221 HG1 THR 27 HG1 THR 27 -1.638 1.949 -6.631 222 HG21 THR 27 1HG2 THR 27 1.792 2.297 -8.788 223 HG22 THR 27 2HG2 THR 27 1.706 3.116 -7.231 224 HG23 THR 27 3HG2 THR 27 0.626 3.605 -8.536 225 H VAL 28 H VAL 28 -0.829 1.470 -11.283 226 HA VAL 28 HA VAL 28 0.689 -0.891 -11.942 227 HB VAL 28 HB VAL 28 -1.173 -0.367 -13.385 228 HG11 VAL 28 1HG1 VAL 28 0.127 2.289 -14.078 229 HG12 VAL 28 2HG1 VAL 28 -1.324 2.063 -13.100 230 HG13 VAL 28 3HG1 VAL 28 -1.338 1.627 -14.809 231 HG21 VAL 28 1HG2 VAL 28 -0.115 -0.445 -15.619 232 HG22 VAL 28 2HG2 VAL 28 0.739 -1.475 -14.470 233 HG23 VAL 28 3HG2 VAL 28 1.418 0.089 -14.920 234 H THR 29 H THR 29 2.696 -0.538 -10.990 235 HA THR 29 HA THR 29 4.443 1.599 -11.932 236 HB THR 29 HB THR 29 6.198 0.388 -10.530 237 HG1 THR 29 HG1 THR 29 5.132 -1.712 -10.616 238 HG21 THR 29 1HG2 THR 29 4.885 2.257 -9.567 239 HG22 THR 29 2HG2 THR 29 5.229 1.030 -8.349 240 HG23 THR 29 3HG2 THR 29 3.624 1.123 -9.073 241 H GLN 30 H GLN 30 4.119 1.091 -14.117 242 HA GLN 30 HA GLN 30 5.031 -1.363 -15.322 243 HB2 GLN 30 2HB GLN 30 4.485 0.013 -17.493 244 HB3 GLN 30 1HB GLN 30 3.171 -0.481 -16.444 245 HG2 GLN 30 2HG GLN 30 2.870 1.805 -17.292 246 HG3 GLN 30 1HG GLN 30 2.964 1.761 -15.538 247 HE21 GLN 30 1HE2 GLN 30 4.767 2.720 -14.506 248 HE22 GLN 30 2HE2 GLN 30 5.846 3.782 -15.329 249 H GLU 31 H GLU 31 7.176 -0.519 -14.005 250 HA GLU 31 HA GLU 31 8.955 1.243 -15.401 251 HB2 GLU 31 2HB GLU 31 9.569 -0.817 -13.238 252 HB3 GLU 31 1HB GLU 31 10.596 0.534 -13.700 253 HG2 GLU 31 2HG GLU 31 9.089 2.131 -12.750 254 HG3 GLU 31 1HG GLU 31 7.803 0.934 -12.586 255 H ASN 32 H ASN 32 8.070 -2.003 -15.862 256 HA ASN 32 HA ASN 32 10.256 -2.510 -17.799 257 HB2 ASN 32 2HB ASN 32 10.601 -3.818 -15.638 258 HB3 ASN 32 1HB ASN 32 9.033 -4.582 -15.876 259 HD21 ASN 32 1HD2 ASN 32 9.882 -6.656 -15.986 260 HD22 ASN 32 2HD2 ASN 32 10.859 -7.222 -17.290 261 H GLY 33 H GLY 33 9.475 -4.415 -19.325 262 HA2 GLY 33 2HA GLY 33 6.840 -3.875 -20.407 263 HA3 GLY 33 1HA GLY 33 8.006 -5.054 -20.991 264 H ARG 34 H ARG 34 6.218 -4.582 -17.971 265 HA ARG 34 HA ARG 34 4.790 -7.118 -18.109 266 HB2 ARG 34 2HB ARG 34 6.943 -6.526 -16.023 267 HB3 ARG 34 1HB ARG 34 5.622 -7.634 -15.675 268 HG2 ARG 34 2HG ARG 34 7.681 -7.984 -17.879 269 HG3 ARG 34 1HG ARG 34 7.681 -8.817 -16.319 270 HD2 ARG 34 2HD ARG 34 5.470 -9.825 -16.907 271 HD3 ARG 34 1HD ARG 34 5.562 -9.059 -18.496 272 HE ARG 34 HE ARG 34 6.962 -11.414 -17.573 273 HH11 ARG 34 1HH1 ARG 34 7.036 -8.842 -19.980 274 HH12 ARG 34 2HH1 ARG 34 7.945 -9.784 -21.118 275 HH21 ARG 34 1HH2 ARG 34 8.128 -12.627 -19.079 276 HH22 ARG 34 2HH2 ARG 34 8.556 -11.926 -20.609 277 H TRP 35 H TRP 35 2.933 -7.067 -16.718 278 HA TRP 35 HA TRP 35 2.186 -4.469 -15.635 279 HB2 TRP 35 2HB TRP 35 0.502 -5.941 -16.806 280 HB3 TRP 35 1HB TRP 35 0.660 -7.113 -15.500 281 HD1 TRP 35 HD1 TRP 35 -0.459 -6.419 -13.086 282 HE1 TRP 35 HE1 TRP 35 -2.315 -4.739 -12.500 283 HE3 TRP 35 HE3 TRP 35 -0.487 -3.666 -17.403 284 HZ2 TRP 35 HZ2 TRP 35 -3.618 -2.555 -13.679 285 HZ3 TRP 35 HZ3 TRP 35 -2.067 -1.789 -17.585 286 HH2 TRP 35 HH2 TRP 35 -3.605 -1.241 -15.762 287 H ARG 36 H ARG 36 4.019 -4.437 -14.139 288 HA ARG 36 HA ARG 36 3.798 -6.095 -11.721 289 HB2 ARG 36 2HB ARG 36 5.790 -3.922 -12.518 290 HB3 ARG 36 1HB ARG 36 5.853 -4.823 -10.999 291 HG2 ARG 36 2HG ARG 36 6.121 -6.931 -12.262 292 HG3 ARG 36 1HG ARG 36 6.063 -6.030 -13.776 293 HD2 ARG 36 2HD ARG 36 8.118 -4.832 -13.141 294 HD3 ARG 36 1HD ARG 36 8.165 -5.714 -11.608 295 HE ARG 36 HE ARG 36 8.085 -7.643 -13.597 296 HH11 ARG 36 1HH1 ARG 36 10.312 -5.079 -12.641 297 HH12 ARG 36 2HH1 ARG 36 11.697 -5.902 -13.284 298 HH21 ARG 36 1HH2 ARG 36 9.911 -8.698 -14.403 299 HH22 ARG 36 2HH2 ARG 36 11.477 -7.947 -14.257 300 H VAL 37 H VAL 37 2.071 -5.508 -10.623 301 HA VAL 37 HA VAL 37 1.405 -2.648 -10.281 302 HB VAL 37 HB VAL 37 -0.357 -4.025 -11.319 303 HG11 VAL 37 1HG1 VAL 37 -0.434 -5.630 -8.742 304 HG12 VAL 37 2HG1 VAL 37 0.129 -6.211 -10.311 305 HG13 VAL 37 3HG1 VAL 37 -1.566 -5.775 -10.090 306 HG21 VAL 37 1HG2 VAL 37 -1.117 -3.080 -8.533 307 HG22 VAL 37 2HG2 VAL 37 -2.241 -3.362 -9.864 308 HG23 VAL 37 3HG2 VAL 37 -1.033 -2.085 -9.989 309 H THR 38 H THR 38 1.744 -1.731 -8.396 310 HA THR 38 HA THR 38 2.287 -3.196 -5.953 311 HB THR 38 HB THR 38 2.076 -0.183 -6.410 312 HG1 THR 38 HG1 THR 38 3.734 -1.421 -7.659 313 HG21 THR 38 1HG2 THR 38 3.426 0.019 -4.350 314 HG22 THR 38 2HG2 THR 38 3.431 -1.734 -4.161 315 HG23 THR 38 3HG2 THR 38 1.919 -0.839 -4.016 316 H TRP 39 H TRP 39 0.434 -4.101 -5.202 317 HA TRP 39 HA TRP 39 -1.918 -2.398 -4.613 318 HB2 TRP 39 2HB TRP 39 -3.157 -4.586 -4.370 319 HB3 TRP 39 1HB TRP 39 -2.559 -4.300 -5.995 320 HD1 TRP 39 HD1 TRP 39 -0.487 -5.863 -6.828 321 HE1 TRP 39 HE1 TRP 39 0.296 -8.179 -6.057 322 HE3 TRP 39 HE3 TRP 39 -3.010 -6.161 -2.397 323 HZ2 TRP 39 HZ2 TRP 39 -0.080 -9.911 -3.884 324 HZ3 TRP 39 HZ3 TRP 39 -2.759 -8.191 -1.030 325 HH2 TRP 39 HH2 TRP 39 -1.323 -10.030 -1.763 326 H ASP 40 H ASP 40 -2.444 -2.092 -2.463 327 HA ASP 40 HA ASP 40 -0.721 -3.340 -0.408 328 HB2 ASP 40 2HB ASP 40 0.462 -1.328 -1.120 329 HB3 ASP 40 1HB ASP 40 -0.991 -0.347 -0.950
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