NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18185 | 2diz | 11107 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -2.681 -8.995 -25.807 2 HA2 GLY 1 1HA GLY 1 -2.923 -9.038 -23.193 3 HA3 GLY 1 2HA GLY 1 -1.194 -9.336 -23.305 4 H SER 2 H SER 2 -3.753 -7.014 -23.910 5 HA SER 2 HA SER 2 -2.396 -4.915 -25.034 6 HB2 SER 2 1HB SER 2 -4.090 -3.480 -24.191 7 HB3 SER 2 2HB SER 2 -4.867 -5.049 -24.400 8 HG SER 2 HG SER 2 -5.430 -4.316 -22.392 9 H SER 3 H SER 3 -1.380 -3.031 -24.186 10 HA SER 3 HA SER 3 -0.141 -3.432 -21.542 11 HB2 SER 3 1HB SER 3 1.908 -2.411 -22.402 12 HB3 SER 3 2HB SER 3 1.473 -3.815 -23.377 13 HG SER 3 HG SER 3 1.242 -1.077 -24.011 14 H GLY 4 H GLY 4 -0.058 -1.709 -20.178 15 HA2 GLY 4 1HA GLY 4 0.007 0.932 -20.512 16 HA3 GLY 4 2HA GLY 4 -1.668 0.601 -20.929 17 H SER 5 H SER 5 0.533 -0.603 -18.395 18 HA SER 5 HA SER 5 -1.614 -0.250 -16.445 19 HB2 SER 5 1HB SER 5 1.001 -1.751 -16.393 20 HB3 SER 5 2HB SER 5 0.047 -1.489 -14.933 21 HG SER 5 HG SER 5 -1.577 -2.704 -15.766 22 H SER 6 H SER 6 -1.142 0.703 -14.347 23 HA SER 6 HA SER 6 -0.349 3.266 -14.339 24 HB2 SER 6 1HB SER 6 -0.001 1.231 -12.136 25 HB3 SER 6 2HB SER 6 0.275 2.955 -11.894 26 HG SER 6 HG SER 6 -2.126 1.605 -12.491 27 H GLY 7 H GLY 7 1.862 0.666 -13.283 28 HA2 GLY 7 1HA GLY 7 4.127 0.417 -13.726 29 HA3 GLY 7 2HA GLY 7 4.066 1.879 -14.699 30 H THR 8 H THR 8 2.696 3.116 -12.203 31 HA THR 8 HA THR 8 5.154 3.522 -10.633 32 HB THR 8 HB THR 8 4.439 5.914 -10.337 33 HG1 THR 8 1HG THR 8 2.882 5.613 -12.667 34 HG21 THR 8 1HG2 THR 8 4.891 6.298 -13.010 35 HG22 THR 8 2HG2 THR 8 5.535 4.676 -12.754 36 HG23 THR 8 3HG2 THR 8 6.143 6.027 -11.798 37 H VAL 9 H VAL 9 1.626 3.990 -10.668 38 HA VAL 9 HA VAL 9 1.387 2.838 -8.043 39 HB VAL 9 HB VAL 9 0.918 5.784 -8.448 40 HG11 VAL 9 1HG1 VAL 9 -1.105 4.995 -7.458 41 HG12 VAL 9 2HG1 VAL 9 -0.218 3.984 -6.316 42 HG13 VAL 9 3HG1 VAL 9 -0.143 5.740 -6.182 43 HG21 VAL 9 1HG2 VAL 9 2.526 4.130 -6.519 44 HG22 VAL 9 2HG2 VAL 9 3.101 5.346 -7.659 45 HG23 VAL 9 3HG2 VAL 9 2.170 5.835 -6.243 46 H LEU 10 H LEU 10 -0.610 1.994 -7.710 47 HA LEU 10 HA LEU 10 -2.532 2.286 -9.894 48 HB2 LEU 10 1HB LEU 10 -1.999 0.232 -7.809 49 HB3 LEU 10 2HB LEU 10 -3.632 0.360 -8.460 50 HG LEU 10 HG LEU 10 -2.284 0.221 -10.761 51 HD11 LEU 10 1HD1 LEU 10 -0.299 -0.885 -10.704 52 HD12 LEU 10 2HD1 LEU 10 -0.676 -1.719 -9.197 53 HD13 LEU 10 3HD1 LEU 10 -0.178 -0.027 -9.168 54 HD21 LEU 10 1HD2 LEU 10 -3.042 -1.973 -10.936 55 HD22 LEU 10 2HD2 LEU 10 -4.109 -1.266 -9.724 56 HD23 LEU 10 3HD2 LEU 10 -2.775 -2.306 -9.225 57 H ALA 11 H ALA 11 -3.966 3.867 -9.629 58 HA ALA 11 HA ALA 11 -4.784 4.759 -7.011 59 HB1 ALA 11 1HB ALA 11 -5.233 5.662 -9.807 60 HB2 ALA 11 2HB ALA 11 -6.388 6.166 -8.572 61 HB3 ALA 11 3HB ALA 11 -4.679 6.568 -8.397 62 H LEU 12 H LEU 12 -5.889 3.023 -6.094 63 HA LEU 12 HA LEU 12 -8.079 1.751 -7.444 64 HB2 LEU 12 1HB LEU 12 -7.229 1.673 -4.552 65 HB3 LEU 12 2HB LEU 12 -8.459 0.640 -5.278 66 HG LEU 12 HG LEU 12 -5.538 0.651 -6.035 67 HD11 LEU 12 1HD1 LEU 12 -7.138 -1.035 -4.148 68 HD12 LEU 12 2HD1 LEU 12 -5.566 -0.275 -3.904 69 HD13 LEU 12 3HD1 LEU 12 -5.711 -1.679 -4.960 70 HD21 LEU 12 1HD2 LEU 12 -6.210 -1.517 -7.135 71 HD22 LEU 12 2HD2 LEU 12 -6.807 -0.048 -7.906 72 HD23 LEU 12 3HD2 LEU 12 -7.886 -1.017 -6.902 73 H THR 13 H THR 13 -10.289 1.791 -6.737 74 HA THR 13 HA THR 13 -11.060 4.248 -5.308 75 HB THR 13 HB THR 13 -12.841 4.693 -6.834 76 HG1 THR 13 1HG THR 13 -12.199 2.135 -7.841 77 HG21 THR 13 1HG2 THR 13 -10.949 4.102 -8.965 78 HG22 THR 13 2HG2 THR 13 -10.180 4.848 -7.565 79 HG23 THR 13 3HG2 THR 13 -11.526 5.657 -8.368 80 H GLU 14 H GLU 14 -13.432 4.160 -4.650 81 HA GLU 14 HA GLU 14 -13.845 1.963 -2.963 82 HB2 GLU 14 1HB GLU 14 -15.798 4.041 -3.965 83 HB3 GLU 14 2HB GLU 14 -16.149 2.896 -2.678 84 HG2 GLU 14 1HG GLU 14 -14.658 3.894 -1.208 85 HG3 GLU 14 2HG GLU 14 -13.781 4.711 -2.500 86 H ASN 15 H ASN 15 -14.251 2.185 -6.280 87 HA ASN 15 HA ASN 15 -16.400 0.209 -6.397 88 HB2 ASN 15 1HB ASN 15 -15.136 2.077 -8.340 89 HB3 ASN 15 2HB ASN 15 -15.803 0.577 -8.978 90 HD21 ASN 15 1HD2 ASN 15 -16.586 3.385 -6.992 91 HD22 ASN 15 2HD2 ASN 15 -18.265 3.427 -7.398 92 H ASN 16 H ASN 16 -12.963 0.550 -6.998 93 HA ASN 16 HA ASN 16 -12.806 -2.361 -7.382 94 HB2 ASN 16 1HB ASN 16 -10.853 -1.902 -8.936 95 HB3 ASN 16 2HB ASN 16 -12.445 -1.490 -9.567 96 HD21 ASN 16 1HD2 ASN 16 -9.847 0.006 -7.664 97 HD22 ASN 16 2HD2 ASN 16 -9.900 1.530 -8.476 98 H PHE 17 H PHE 17 -12.510 -0.994 -4.942 99 HA PHE 17 HA PHE 17 -9.638 -0.842 -4.456 100 HB2 PHE 17 1HB PHE 17 -10.756 0.931 -3.400 101 HB3 PHE 17 2HB PHE 17 -12.072 -0.102 -2.854 102 HD1 PHE 17 1HD PHE 17 -11.667 -1.717 -0.995 103 HD2 PHE 17 2HD PHE 17 -8.837 1.271 -2.081 104 HE1 PHE 17 1HE PHE 17 -10.558 -1.980 1.185 105 HE2 PHE 17 2HE PHE 17 -7.723 1.012 0.096 106 HZ PHE 17 HZ PHE 17 -8.582 -0.616 1.733 107 H ASP 18 H ASP 18 -12.451 -2.762 -3.558 108 HA ASP 18 HA ASP 18 -10.912 -4.468 -1.801 109 HB2 ASP 18 1HB ASP 18 -13.000 -5.680 -1.468 110 HB3 ASP 18 2HB ASP 18 -13.275 -3.948 -1.310 111 H ASP 19 H ASP 19 -12.457 -4.717 -4.980 112 HA ASP 19 HA ASP 19 -12.002 -7.388 -5.527 113 HB2 ASP 19 1HB ASP 19 -12.158 -4.949 -7.268 114 HB3 ASP 19 2HB ASP 19 -11.775 -6.515 -7.976 115 H THR 20 H THR 20 -9.841 -4.633 -6.141 116 HA THR 20 HA THR 20 -7.753 -6.018 -7.352 117 HB THR 20 HB THR 20 -7.543 -3.600 -5.546 118 HG1 THR 20 1HG THR 20 -8.923 -3.256 -7.335 119 HG21 THR 20 1HG2 THR 20 -5.651 -3.972 -7.771 120 HG22 THR 20 2HG2 THR 20 -5.471 -5.110 -6.435 121 HG23 THR 20 3HG2 THR 20 -5.374 -3.375 -6.136 122 H ILE 21 H ILE 21 -7.657 -4.848 -3.985 123 HA ILE 21 HA ILE 21 -5.508 -6.265 -3.086 124 HB ILE 21 HB ILE 21 -6.438 -6.142 -0.832 125 HG12 ILE 21 1HG1 ILE 21 -8.990 -5.132 -2.093 126 HG13 ILE 21 2HG1 ILE 21 -8.775 -6.794 -1.556 127 HG21 ILE 21 1HG2 ILE 21 -7.332 -3.594 -2.087 128 HG22 ILE 21 2HG2 ILE 21 -6.330 -3.860 -0.661 129 HG23 ILE 21 3HG2 ILE 21 -5.650 -4.089 -2.272 130 HD11 ILE 21 1HD1 ILE 21 -9.827 -5.850 0.246 131 HD12 ILE 21 2HD1 ILE 21 -8.133 -5.679 0.706 132 HD13 ILE 21 3HD1 ILE 21 -9.011 -4.299 0.049 133 H ALA 22 H ALA 22 -8.636 -7.498 -3.884 134 HA ALA 22 HA ALA 22 -8.635 -9.879 -2.396 135 HB1 ALA 22 1HB ALA 22 -9.842 -9.865 -5.110 136 HB2 ALA 22 2HB ALA 22 -10.495 -10.455 -3.582 137 HB3 ALA 22 3HB ALA 22 -10.463 -8.725 -3.917 138 H GLU 23 H GLU 23 -7.329 -9.117 -5.597 139 HA GLU 23 HA GLU 23 -6.379 -11.830 -5.969 140 HB2 GLU 23 1HB GLU 23 -6.001 -9.346 -7.652 141 HB3 GLU 23 2HB GLU 23 -5.476 -10.961 -8.108 142 HG2 GLU 23 1HG GLU 23 -7.957 -11.604 -7.774 143 HG3 GLU 23 2HG GLU 23 -8.248 -9.870 -7.895 144 H GLY 24 H GLY 24 -4.409 -12.559 -5.472 145 HA2 GLY 24 1HA GLY 24 -2.343 -12.562 -4.438 146 HA3 GLY 24 2HA GLY 24 -1.977 -11.372 -5.680 147 H ILE 25 H ILE 25 -0.462 -10.602 -3.999 148 HA ILE 25 HA ILE 25 -1.624 -9.264 -1.708 149 HB ILE 25 HB ILE 25 1.231 -9.262 -2.696 150 HG12 ILE 25 1HG1 ILE 25 0.198 -10.779 -0.317 151 HG13 ILE 25 2HG1 ILE 25 0.095 -11.475 -1.931 152 HG21 ILE 25 1HG2 ILE 25 0.990 -8.794 0.099 153 HG22 ILE 25 2HG2 ILE 25 1.652 -7.734 -1.146 154 HG23 ILE 25 3HG2 ILE 25 -0.065 -7.664 -0.750 155 HD11 ILE 25 1HD1 ILE 25 2.610 -10.975 -2.071 156 HD12 ILE 25 2HD1 ILE 25 2.519 -10.814 -0.317 157 HD13 ILE 25 3HD1 ILE 25 2.070 -12.335 -1.087 158 H THR 26 H THR 26 -2.000 -7.131 -1.487 159 HA THR 26 HA THR 26 -1.101 -5.319 -3.619 160 HB THR 26 HB THR 26 -3.889 -5.272 -2.452 161 HG1 THR 26 1HG THR 26 -3.461 -7.074 -3.896 162 HG21 THR 26 1HG2 THR 26 -3.614 -3.116 -3.145 163 HG22 THR 26 2HG2 THR 26 -4.062 -3.833 -4.692 164 HG23 THR 26 3HG2 THR 26 -2.364 -3.536 -4.316 165 H PHE 27 H PHE 27 0.165 -3.869 -2.670 166 HA PHE 27 HA PHE 27 -0.282 -3.123 0.109 167 HB2 PHE 27 1HB PHE 27 2.011 -3.640 -1.087 168 HB3 PHE 27 2HB PHE 27 1.904 -1.948 -1.560 169 HD1 PHE 27 1HD PHE 27 0.935 -3.648 1.606 170 HD2 PHE 27 2HD PHE 27 3.470 -0.810 -0.302 171 HE1 PHE 27 1HE PHE 27 1.837 -2.985 3.797 172 HE2 PHE 27 2HE PHE 27 4.377 -0.144 1.886 173 HZ PHE 27 HZ PHE 27 3.561 -1.232 3.938 174 H ILE 28 H ILE 28 -1.700 -1.555 0.486 175 HA ILE 28 HA ILE 28 -1.957 0.638 -1.450 176 HB ILE 28 HB ILE 28 -3.800 -0.049 0.841 177 HG12 ILE 28 1HG1 ILE 28 -4.283 -0.565 -2.093 178 HG13 ILE 28 2HG1 ILE 28 -3.599 -1.782 -1.021 179 HG21 ILE 28 1HG2 ILE 28 -4.112 2.214 0.328 180 HG22 ILE 28 2HG2 ILE 28 -3.929 1.938 -1.403 181 HG23 ILE 28 3HG2 ILE 28 -5.379 1.379 -0.571 182 HD11 ILE 28 1HD1 ILE 28 -6.171 -1.682 -1.516 183 HD12 ILE 28 2HD1 ILE 28 -5.566 -2.104 0.086 184 HD13 ILE 28 3HD1 ILE 28 -6.146 -0.470 -0.236 185 H LYS 29 H LYS 29 -2.033 2.817 -0.728 186 HA LYS 29 HA LYS 29 -0.895 3.294 1.941 187 HB2 LYS 29 1HB LYS 29 0.898 3.434 0.252 188 HB3 LYS 29 2HB LYS 29 -0.023 4.660 -0.612 189 HG2 LYS 29 1HG LYS 29 0.590 5.160 2.246 190 HG3 LYS 29 2HG LYS 29 1.912 5.278 1.082 191 HD2 LYS 29 1HD LYS 29 -0.715 6.694 0.701 192 HD3 LYS 29 2HD LYS 29 0.637 7.418 1.576 193 HE2 LYS 29 1HE LYS 29 1.176 6.277 -1.112 194 HE3 LYS 29 2HE LYS 29 0.268 7.787 -1.030 195 HZ1 LYS 29 1HZ LYS 29 2.174 8.846 -0.748 196 HZ2 LYS 29 2HZ LYS 29 3.037 7.391 -0.746 197 HZ3 LYS 29 3HZ LYS 29 2.433 8.019 0.705 198 H PHE 30 H PHE 30 -2.324 4.447 3.047 199 HA PHE 30 HA PHE 30 -4.192 6.194 1.662 200 HB2 PHE 30 1HB PHE 30 -4.011 5.552 4.612 201 HB3 PHE 30 2HB PHE 30 -5.351 6.348 3.791 202 HD1 PHE 30 1HD PHE 30 -3.617 3.167 4.333 203 HD2 PHE 30 2HD PHE 30 -6.940 5.096 2.503 204 HE1 PHE 30 1HE PHE 30 -4.667 0.975 3.938 205 HE2 PHE 30 2HE PHE 30 -7.996 2.909 2.106 206 HZ PHE 30 HZ PHE 30 -6.859 0.846 2.824 207 H TYR 31 H TYR 31 -3.430 8.149 1.164 208 HA TYR 31 HA TYR 31 -2.018 9.654 3.266 209 HB2 TYR 31 1HB TYR 31 -0.514 10.559 1.730 210 HB3 TYR 31 2HB TYR 31 -0.659 8.892 1.190 211 HD1 TYR 31 1HD TYR 31 -1.804 8.350 -0.886 212 HD2 TYR 31 2HD TYR 31 -1.440 12.383 0.420 213 HE1 TYR 31 1HE TYR 31 -2.446 9.128 -3.130 214 HE2 TYR 31 2HE TYR 31 -2.082 13.172 -1.819 215 HH TYR 31 HH TYR 31 -2.595 12.593 -3.898 216 H ALA 32 H ALA 32 -2.051 12.105 2.656 217 HA ALA 32 HA ALA 32 -4.691 12.838 1.592 218 HB1 ALA 32 1HB ALA 32 -4.122 14.633 3.687 219 HB2 ALA 32 2HB ALA 32 -5.421 13.444 3.596 220 HB3 ALA 32 3HB ALA 32 -3.875 13.007 4.323 221 HA PRO 33 HA PRO 33 -2.301 15.771 -0.689 222 HB2 PRO 33 1HB PRO 33 -4.355 17.318 -1.562 223 HB3 PRO 33 2HB PRO 33 -4.004 15.719 -2.230 224 HG2 PRO 33 1HG PRO 33 -6.048 16.514 -0.192 225 HG3 PRO 33 2HG PRO 33 -6.211 15.407 -1.567 226 HD2 PRO 33 1HD PRO 33 -5.839 14.535 0.969 227 HD3 PRO 33 2HD PRO 33 -5.209 13.662 -0.443 228 H TRP 34 H TRP 34 -3.763 16.326 2.221 229 HA TRP 34 HA TRP 34 -3.085 19.192 2.214 230 HB2 TRP 34 1HB TRP 34 -4.497 19.286 4.297 231 HB3 TRP 34 2HB TRP 34 -5.378 18.880 2.827 232 HD1 TRP 34 HD TRP 34 -6.777 16.710 2.871 233 HE1 TRP 34 1HE TRP 34 -7.076 14.773 4.539 234 HE3 TRP 34 3HE TRP 34 -3.034 17.879 6.151 235 HZ2 TRP 34 2HZ TRP 34 -5.884 13.862 6.930 236 HZ3 TRP 34 3HZ TRP 34 -2.680 16.424 8.103 237 HH2 TRP 34 HH TRP 34 -4.077 14.457 8.483 238 H CYS 35 H CYS 35 -1.961 16.204 3.176 239 HA CYS 35 HA CYS 35 -0.689 17.112 5.625 240 HB2 CYS 35 1HB CYS 35 -1.632 14.752 5.206 241 HB3 CYS 35 2HB CYS 35 -0.181 14.483 4.249 242 HG CYS 35 HG CYS 35 0.440 13.290 6.591 243 H GLY 36 H GLY 36 1.536 17.321 5.928 244 HA2 GLY 36 1HA GLY 36 2.988 18.047 3.507 245 HA3 GLY 36 2HA GLY 36 3.481 18.386 5.161 246 H HIS 37 H HIS 37 3.685 16.083 6.404 247 HA HIS 37 HA HIS 37 6.070 14.977 5.622 248 HB2 HIS 37 1HB HIS 37 4.747 14.680 7.821 249 HB3 HIS 37 2HB HIS 37 3.987 13.311 7.014 250 HD1 HIS 37 1HD HIS 37 5.645 11.348 6.275 251 HD2 HIS 37 2HD HIS 37 7.223 14.178 8.876 252 HE1 HIS 37 1HE HIS 37 7.721 10.300 7.231 253 HE2 HIS 37 2HE HIS 37 8.612 11.996 8.866 254 H CYS 38 H CYS 38 2.821 14.036 4.657 255 HA CYS 38 HA CYS 38 3.384 11.600 3.431 256 HB2 CYS 38 1HB CYS 38 1.308 13.701 2.812 257 HB3 CYS 38 2HB CYS 38 1.360 12.145 1.993 258 HG CYS 38 HG CYS 38 0.326 10.694 3.891 259 H LYS 39 H LYS 39 3.891 14.874 2.325 260 HA LYS 39 HA LYS 39 4.242 14.408 -0.410 261 HB2 LYS 39 1HB LYS 39 5.470 16.466 1.427 262 HB3 LYS 39 2HB LYS 39 5.695 16.478 -0.317 263 HG2 LYS 39 1HG LYS 39 3.369 16.834 -0.692 264 HG3 LYS 39 2HG LYS 39 2.998 16.570 1.015 265 HD2 LYS 39 1HD LYS 39 4.583 18.563 1.435 266 HD3 LYS 39 2HD LYS 39 4.365 18.904 -0.282 267 HE2 LYS 39 1HE LYS 39 2.058 19.265 -0.027 268 HE3 LYS 39 2HE LYS 39 2.030 18.504 1.562 269 HZ1 LYS 39 1HZ LYS 39 3.696 20.884 1.206 270 HZ2 LYS 39 2HZ LYS 39 2.844 20.358 2.569 271 HZ3 LYS 39 3HZ LYS 39 2.020 21.100 1.290 272 H THR 40 H THR 40 6.319 13.777 2.303 273 HA THR 40 HA THR 40 8.748 13.511 0.839 274 HB THR 40 HB THR 40 8.016 12.318 3.520 275 HG1 THR 40 1HG THR 40 8.078 14.361 4.079 276 HG21 THR 40 1HG2 THR 40 10.481 12.321 3.870 277 HG22 THR 40 2HG2 THR 40 10.681 12.764 2.174 278 HG23 THR 40 3HG2 THR 40 9.953 11.216 2.601 279 H LEU 41 H LEU 41 6.098 11.370 1.603 280 HA LEU 41 HA LEU 41 7.538 9.021 0.678 281 HB2 LEU 41 1HB LEU 41 5.931 9.000 2.613 282 HB3 LEU 41 2HB LEU 41 4.635 9.240 1.443 283 HG LEU 41 HG LEU 41 5.321 7.086 0.368 284 HD11 LEU 41 1HD1 LEU 41 7.164 6.019 0.982 285 HD12 LEU 41 2HD1 LEU 41 6.636 5.987 2.664 286 HD13 LEU 41 3HD1 LEU 41 7.546 7.368 2.053 287 HD21 LEU 41 1HD2 LEU 41 4.078 7.450 2.995 288 HD22 LEU 41 2HD2 LEU 41 4.635 5.809 2.672 289 HD23 LEU 41 3HD2 LEU 41 3.496 6.587 1.571 290 H ALA 42 H ALA 42 5.368 11.401 -0.539 291 HA ALA 42 HA ALA 42 3.880 10.360 -2.484 292 HB1 ALA 42 1HB ALA 42 5.337 12.400 -3.808 293 HB2 ALA 42 2HB ALA 42 3.746 12.499 -3.051 294 HB3 ALA 42 3HB ALA 42 5.194 12.850 -2.108 295 HA PRO 43 HA PRO 43 7.521 9.724 -5.588 296 HB2 PRO 43 1HB PRO 43 10.046 10.058 -4.650 297 HB3 PRO 43 2HB PRO 43 9.097 11.378 -5.342 298 HG2 PRO 43 1HG PRO 43 9.565 10.685 -2.468 299 HG3 PRO 43 2HG PRO 43 9.577 12.275 -3.252 300 HD2 PRO 43 1HD PRO 43 7.457 11.366 -1.834 301 HD3 PRO 43 2HD PRO 43 7.278 12.440 -3.235 302 H THR 44 H THR 44 8.600 8.945 -2.281 303 HA THR 44 HA THR 44 9.955 6.605 -2.739 304 HB THR 44 HB THR 44 8.118 7.157 -0.401 305 HG1 THR 44 1HG THR 44 9.589 8.702 -0.192 306 HG21 THR 44 1HG2 THR 44 10.437 5.242 -0.685 307 HG22 THR 44 2HG2 THR 44 8.736 4.805 -0.522 308 HG23 THR 44 3HG2 THR 44 9.577 5.589 0.815 309 H TRP 45 H TRP 45 6.489 6.829 -1.914 310 HA TRP 45 HA TRP 45 5.745 4.223 -2.067 311 HB2 TRP 45 1HB TRP 45 4.262 6.217 -1.593 312 HB3 TRP 45 2HB TRP 45 4.126 6.435 -3.335 313 HD1 TRP 45 HD TRP 45 1.972 5.432 -4.253 314 HE1 TRP 45 1HE TRP 45 0.451 3.441 -3.661 315 HE3 TRP 45 3HE TRP 45 4.581 3.575 -0.268 316 HZ2 TRP 45 2HZ TRP 45 0.369 1.359 -1.755 317 HZ3 TRP 45 3HZ TRP 45 3.714 1.582 0.885 318 HH2 TRP 45 HH TRP 45 1.651 0.499 0.155 319 H GLU 46 H GLU 46 6.110 6.434 -4.823 320 HA GLU 46 HA GLU 46 5.285 4.680 -6.833 321 HB2 GLU 46 1HB GLU 46 7.040 7.099 -6.758 322 HB3 GLU 46 2HB GLU 46 6.990 6.136 -8.227 323 HG2 GLU 46 1HG GLU 46 4.596 6.454 -8.391 324 HG3 GLU 46 2HG GLU 46 4.593 7.351 -6.873 325 H GLU 47 H GLU 47 8.597 5.391 -5.716 326 HA GLU 47 HA GLU 47 10.079 3.774 -7.307 327 HB2 GLU 47 1HB GLU 47 10.356 4.242 -4.339 328 HB3 GLU 47 2HB GLU 47 11.570 3.400 -5.291 329 HG2 GLU 47 1HG GLU 47 10.642 6.224 -5.768 330 HG3 GLU 47 2HG GLU 47 12.121 5.761 -4.928 331 H LEU 48 H LEU 48 8.372 2.733 -4.366 332 HA LEU 48 HA LEU 48 9.128 0.084 -4.297 333 HB2 LEU 48 1HB LEU 48 7.717 1.335 -2.632 334 HB3 LEU 48 2HB LEU 48 6.345 1.067 -3.705 335 HG LEU 48 HG LEU 48 6.797 -1.414 -3.438 336 HD11 LEU 48 1HD1 LEU 48 7.957 -1.431 -0.918 337 HD12 LEU 48 2HD1 LEU 48 8.965 -0.332 -1.861 338 HD13 LEU 48 3HD1 LEU 48 8.691 -1.981 -2.425 339 HD21 LEU 48 1HD2 LEU 48 6.152 -0.585 -0.730 340 HD22 LEU 48 2HD2 LEU 48 5.150 -1.395 -1.935 341 HD23 LEU 48 3HD2 LEU 48 5.298 0.363 -1.949 342 H SER 49 H SER 49 6.342 1.482 -6.017 343 HA SER 49 HA SER 49 5.216 -0.759 -7.097 344 HB2 SER 49 1HB SER 49 4.246 0.621 -8.755 345 HB3 SER 49 2HB SER 49 4.515 1.694 -7.381 346 HG SER 49 HG SER 49 5.567 2.862 -8.771 347 H LYS 50 H LYS 50 8.074 0.963 -8.257 348 HA LYS 50 HA LYS 50 8.427 -0.605 -10.599 349 HB2 LYS 50 1HB LYS 50 10.408 1.062 -9.037 350 HB3 LYS 50 2HB LYS 50 10.707 0.379 -10.630 351 HG2 LYS 50 1HG LYS 50 9.240 1.829 -11.673 352 HG3 LYS 50 2HG LYS 50 8.353 2.164 -10.184 353 HD2 LYS 50 1HD LYS 50 10.319 3.375 -9.318 354 HD3 LYS 50 2HD LYS 50 11.152 3.081 -10.845 355 HE2 LYS 50 1HE LYS 50 9.124 4.226 -11.932 356 HE3 LYS 50 2HE LYS 50 8.755 4.803 -10.307 357 HZ1 LYS 50 1HZ LYS 50 10.713 5.740 -12.149 358 HZ2 LYS 50 2HZ LYS 50 11.417 5.344 -10.664 359 HZ3 LYS 50 3HZ LYS 50 10.148 6.460 -10.726 360 H LYS 51 H LYS 51 9.482 -0.913 -7.275 361 HA LYS 51 HA LYS 51 11.515 -2.784 -7.539 362 HB2 LYS 51 1HB LYS 51 9.441 -2.608 -5.345 363 HB3 LYS 51 2HB LYS 51 10.973 -3.464 -5.235 364 HG2 LYS 51 1HG LYS 51 10.749 -0.506 -5.739 365 HG3 LYS 51 2HG LYS 51 10.931 -1.223 -4.136 366 HD2 LYS 51 1HD LYS 51 12.859 -1.841 -6.351 367 HD3 LYS 51 2HD LYS 51 13.045 -0.400 -5.348 368 HE2 LYS 51 1HE LYS 51 13.429 -1.643 -3.419 369 HE3 LYS 51 2HE LYS 51 12.694 -3.097 -4.094 370 HZ1 LYS 51 1HZ LYS 51 15.366 -1.963 -4.626 371 HZ2 LYS 51 2HZ LYS 51 14.638 -3.010 -5.738 372 HZ3 LYS 51 3HZ LYS 51 14.954 -3.537 -4.162 373 H GLU 52 H GLU 52 11.460 -5.111 -7.050 374 HA GLU 52 HA GLU 52 8.990 -6.405 -7.995 375 HB2 GLU 52 1HB GLU 52 11.669 -7.573 -8.641 376 HB3 GLU 52 2HB GLU 52 10.132 -7.794 -9.463 377 HG2 GLU 52 1HG GLU 52 10.323 -5.356 -10.149 378 HG3 GLU 52 2HG GLU 52 11.995 -5.448 -9.601 379 H PHE 53 H PHE 53 8.459 -8.364 -7.063 380 HA PHE 53 HA PHE 53 10.039 -9.084 -4.685 381 HB2 PHE 53 1HB PHE 53 7.129 -9.749 -5.110 382 HB3 PHE 53 2HB PHE 53 8.041 -9.767 -3.604 383 HD1 PHE 53 1HD PHE 53 6.683 -7.526 -6.221 384 HD2 PHE 53 2HD PHE 53 8.138 -7.874 -2.236 385 HE1 PHE 53 1HE PHE 53 5.944 -5.227 -5.755 386 HE2 PHE 53 2HE PHE 53 7.400 -5.575 -1.762 387 HZ PHE 53 HZ PHE 53 6.302 -4.248 -3.523 388 HA PRO 54 HA PRO 54 10.656 -12.702 -7.384 389 HB2 PRO 54 1HB PRO 54 12.981 -13.446 -6.196 390 HB3 PRO 54 2HB PRO 54 12.897 -12.201 -7.448 391 HG2 PRO 54 1HG PRO 54 13.047 -11.889 -4.474 392 HG3 PRO 54 2HG PRO 54 13.905 -10.989 -5.739 393 HD2 PRO 54 1HD PRO 54 11.715 -10.008 -4.483 394 HD3 PRO 54 2HD PRO 54 12.094 -9.630 -6.175 395 H GLY 55 H GLY 55 9.841 -14.670 -6.991 396 HA2 GLY 55 1HA GLY 55 9.421 -16.648 -5.836 397 HA3 GLY 55 2HA GLY 55 10.193 -15.954 -4.419 398 H LEU 56 H LEU 56 8.309 -13.540 -4.989 399 HA LEU 56 HA LEU 56 6.095 -14.632 -3.406 400 HB2 LEU 56 1HB LEU 56 6.744 -11.736 -3.902 401 HB3 LEU 56 2HB LEU 56 5.660 -12.402 -2.682 402 HG LEU 56 HG LEU 56 8.663 -12.701 -2.720 403 HD11 LEU 56 1HD1 LEU 56 8.789 -10.787 -1.612 404 HD12 LEU 56 2HD1 LEU 56 7.587 -11.336 -0.444 405 HD13 LEU 56 3HD1 LEU 56 7.073 -10.528 -1.926 406 HD21 LEU 56 1HD2 LEU 56 7.147 -14.540 -1.692 407 HD22 LEU 56 2HD2 LEU 56 6.877 -13.356 -0.413 408 HD23 LEU 56 3HD2 LEU 56 8.511 -13.919 -0.762 409 H ALA 57 H ALA 57 3.911 -13.825 -3.843 410 HA ALA 57 HA ALA 57 3.174 -14.191 -6.535 411 HB1 ALA 57 1HB ALA 57 1.524 -12.950 -4.339 412 HB2 ALA 57 2HB ALA 57 0.925 -13.686 -5.826 413 HB3 ALA 57 3HB ALA 57 1.712 -14.683 -4.603 414 H GLY 58 H GLY 58 2.004 -12.665 -7.911 415 HA2 GLY 58 1HA GLY 58 3.445 -10.368 -8.485 416 HA3 GLY 58 2HA GLY 58 1.801 -10.669 -9.026 417 H VAL 59 H VAL 59 3.762 -9.279 -6.459 418 HA VAL 59 HA VAL 59 1.604 -8.197 -4.966 419 HB VAL 59 HB VAL 59 4.541 -7.537 -5.061 420 HG11 VAL 59 1HG1 VAL 59 2.435 -6.306 -3.287 421 HG12 VAL 59 2HG1 VAL 59 4.179 -6.103 -3.098 422 HG13 VAL 59 3HG1 VAL 59 3.366 -5.478 -4.534 423 HG21 VAL 59 1HG2 VAL 59 3.617 -8.348 -2.511 424 HG22 VAL 59 2HG2 VAL 59 2.950 -9.467 -3.700 425 HG23 VAL 59 3HG2 VAL 59 4.693 -9.211 -3.610 426 H LYS 60 H LYS 60 0.454 -6.388 -5.237 427 HA LYS 60 HA LYS 60 1.230 -4.586 -7.429 428 HB2 LYS 60 1HB LYS 60 -1.488 -5.114 -6.214 429 HB3 LYS 60 2HB LYS 60 -1.168 -3.936 -7.481 430 HG2 LYS 60 1HG LYS 60 -0.882 -5.534 -9.089 431 HG3 LYS 60 2HG LYS 60 -0.351 -6.758 -7.935 432 HD2 LYS 60 1HD LYS 60 -3.169 -5.714 -7.975 433 HD3 LYS 60 2HD LYS 60 -2.655 -7.065 -8.988 434 HE2 LYS 60 1HE LYS 60 -2.204 -7.030 -6.017 435 HE3 LYS 60 2HE LYS 60 -3.707 -7.618 -6.726 436 HZ1 LYS 60 1HZ LYS 60 -2.545 -9.546 -6.653 437 HZ2 LYS 60 2HZ LYS 60 -1.036 -8.796 -6.791 438 HZ3 LYS 60 3HZ LYS 60 -2.005 -9.004 -8.161 439 H ILE 61 H ILE 61 0.973 -2.321 -7.157 440 HA ILE 61 HA ILE 61 0.876 -1.443 -4.346 441 HB ILE 61 HB ILE 61 2.635 -0.297 -6.518 442 HG12 ILE 61 1HG1 ILE 61 3.469 -2.457 -5.768 443 HG13 ILE 61 2HG1 ILE 61 4.498 -1.174 -5.140 444 HG21 ILE 61 1HG2 ILE 61 3.485 1.204 -4.899 445 HG22 ILE 61 2HG2 ILE 61 1.728 1.293 -4.781 446 HG23 ILE 61 3HG2 ILE 61 2.645 0.377 -3.587 447 HD11 ILE 61 1HD1 ILE 61 4.064 -2.921 -3.486 448 HD12 ILE 61 2HD1 ILE 61 3.438 -1.354 -2.973 449 HD13 ILE 61 3HD1 ILE 61 2.336 -2.584 -3.593 450 H ALA 62 H ALA 62 -0.869 -0.245 -4.018 451 HA ALA 62 HA ALA 62 -1.704 1.631 -6.133 452 HB1 ALA 62 1HB ALA 62 -4.017 1.209 -4.800 453 HB2 ALA 62 2HB ALA 62 -3.536 0.329 -6.252 454 HB3 ALA 62 3HB ALA 62 -3.264 -0.381 -4.661 455 H GLU 63 H GLU 63 -3.365 3.269 -5.066 456 HA GLU 63 HA GLU 63 -2.491 4.068 -2.399 457 HB2 GLU 63 1HB GLU 63 -1.613 6.109 -2.972 458 HB3 GLU 63 2HB GLU 63 -1.126 5.163 -4.372 459 HG2 GLU 63 1HG GLU 63 -3.076 6.004 -5.600 460 HG3 GLU 63 2HG GLU 63 -3.516 6.985 -4.202 461 H VAL 64 H VAL 64 -3.924 5.492 -1.337 462 HA VAL 64 HA VAL 64 -6.442 6.105 -2.701 463 HB VAL 64 HB VAL 64 -6.209 4.527 -0.142 464 HG11 VAL 64 1HG1 VAL 64 -8.682 5.813 -1.297 465 HG12 VAL 64 2HG1 VAL 64 -8.616 4.761 0.119 466 HG13 VAL 64 3HG1 VAL 64 -7.835 6.343 0.155 467 HG21 VAL 64 1HG2 VAL 64 -6.732 2.771 -1.397 468 HG22 VAL 64 2HG2 VAL 64 -8.155 3.596 -2.031 469 HG23 VAL 64 3HG2 VAL 64 -6.594 3.794 -2.828 470 H ASP 65 H ASP 65 -7.216 8.063 -2.201 471 HA ASP 65 HA ASP 65 -5.749 9.683 -0.299 472 HB2 ASP 65 1HB ASP 65 -7.998 10.345 -2.208 473 HB3 ASP 65 2HB ASP 65 -7.211 11.524 -1.164 474 H CYS 66 H CYS 66 -6.589 10.666 1.525 475 HA CYS 66 HA CYS 66 -8.934 9.339 2.653 476 HB2 CYS 66 1HB CYS 66 -6.718 10.996 3.854 477 HB3 CYS 66 2HB CYS 66 -8.152 10.543 4.771 478 H THR 67 H THR 67 -8.879 11.632 0.628 479 HA THR 67 HA THR 67 -10.633 13.460 2.138 480 HB THR 67 HB THR 67 -10.056 15.160 0.349 481 HG1 THR 67 1HG THR 67 -7.767 13.555 -0.112 482 HG21 THR 67 1HG2 THR 67 -9.036 14.946 2.710 483 HG22 THR 67 2HG2 THR 67 -8.204 15.957 1.529 484 HG23 THR 67 3HG2 THR 67 -7.607 14.335 1.875 485 H ALA 68 H ALA 68 -10.210 11.499 -0.699 486 HA ALA 68 HA ALA 68 -12.873 12.301 -1.667 487 HB1 ALA 68 1HB ALA 68 -11.807 12.516 -3.613 488 HB2 ALA 68 2HB ALA 68 -10.382 11.662 -3.021 489 HB3 ALA 68 3HB ALA 68 -11.753 10.754 -3.655 490 H GLU 69 H GLU 69 -10.909 9.623 -0.591 491 HA GLU 69 HA GLU 69 -13.198 7.809 -0.961 492 HB2 GLU 69 1HB GLU 69 -10.272 7.138 -0.604 493 HB3 GLU 69 2HB GLU 69 -11.569 5.968 -0.805 494 HG2 GLU 69 1HG GLU 69 -10.834 6.054 -2.942 495 HG3 GLU 69 2HG GLU 69 -12.001 7.373 -3.004 496 H ARG 70 H ARG 70 -12.722 9.749 1.242 497 HA ARG 70 HA ARG 70 -11.801 8.900 3.598 498 HB2 ARG 70 1HB ARG 70 -14.516 10.106 3.066 499 HB3 ARG 70 2HB ARG 70 -13.848 9.914 4.681 500 HG2 ARG 70 1HG ARG 70 -11.964 11.348 4.074 501 HG3 ARG 70 2HG ARG 70 -12.638 11.539 2.453 502 HD2 ARG 70 1HD ARG 70 -13.933 12.396 5.040 503 HD3 ARG 70 2HD ARG 70 -13.177 13.458 3.852 504 HE ARG 70 HE ARG 70 -15.194 11.938 2.609 505 HH11 ARG 70 2HH1 ARG 70 -14.785 14.552 4.871 506 HH12 ARG 70 1HH1 ARG 70 -16.303 15.294 4.490 507 HH21 ARG 70 2HH2 ARG 70 -17.197 12.905 2.097 508 HH22 ARG 70 1HH2 ARG 70 -17.674 14.355 2.912 509 H ASN 71 H ASN 71 -14.930 7.834 2.274 510 HA ASN 71 HA ASN 71 -15.970 6.249 4.143 511 HB2 ASN 71 1HB ASN 71 -15.688 5.849 1.197 512 HB3 ASN 71 2HB ASN 71 -16.351 4.531 2.160 513 HD21 ASN 71 1HD2 ASN 71 -18.467 4.516 2.168 514 HD22 ASN 71 2HD2 ASN 71 -19.502 5.899 2.144 515 H ILE 72 H ILE 72 -13.228 5.283 2.103 516 HA ILE 72 HA ILE 72 -12.894 2.761 3.418 517 HB ILE 72 HB ILE 72 -10.878 4.213 1.705 518 HG12 ILE 72 1HG1 ILE 72 -12.926 2.184 0.801 519 HG13 ILE 72 2HG1 ILE 72 -13.145 3.921 0.630 520 HG21 ILE 72 1HG2 ILE 72 -11.219 1.325 2.485 521 HG22 ILE 72 2HG2 ILE 72 -10.127 1.878 1.218 522 HG23 ILE 72 3HG2 ILE 72 -9.877 2.397 2.885 523 HD11 ILE 72 1HD1 ILE 72 -12.157 3.737 -1.342 524 HD12 ILE 72 2HD1 ILE 72 -10.653 3.424 -0.477 525 HD13 ILE 72 3HD1 ILE 72 -11.659 2.078 -1.011 526 H CYS 73 H CYS 73 -10.700 5.571 3.227 527 HA CYS 73 HA CYS 73 -8.839 4.955 5.063 528 HB2 CYS 73 1HB CYS 73 -10.154 7.540 4.366 529 HB3 CYS 73 2HB CYS 73 -9.068 7.510 5.752 530 H SER 74 H SER 74 -11.919 6.540 5.910 531 HA SER 74 HA SER 74 -11.628 6.636 8.646 532 HB2 SER 74 1HB SER 74 -14.009 6.389 6.848 533 HB3 SER 74 2HB SER 74 -14.235 6.266 8.592 534 HG SER 74 HG SER 74 -13.418 8.448 7.046 535 H LYS 75 H LYS 75 -12.845 3.953 6.675 536 HA LYS 75 HA LYS 75 -13.584 2.220 8.724 537 HB2 LYS 75 1HB LYS 75 -14.145 1.794 6.393 538 HB3 LYS 75 2HB LYS 75 -12.445 1.575 5.999 539 HG2 LYS 75 1HG LYS 75 -12.632 -0.290 7.868 540 HG3 LYS 75 2HG LYS 75 -14.328 -0.252 7.379 541 HD2 LYS 75 1HD LYS 75 -13.676 -0.650 5.060 542 HD3 LYS 75 2HD LYS 75 -11.975 -0.656 5.531 543 HE2 LYS 75 1HE LYS 75 -13.915 -2.534 6.822 544 HE3 LYS 75 2HE LYS 75 -13.233 -2.909 5.240 545 HZ1 LYS 75 1HZ LYS 75 -11.460 -3.688 6.284 546 HZ2 LYS 75 2HZ LYS 75 -12.049 -3.189 7.788 547 HZ3 LYS 75 3HZ LYS 75 -11.118 -2.131 6.852 548 H TYR 76 H TYR 76 -10.429 2.914 7.359 549 HA TYR 76 HA TYR 76 -9.181 0.837 8.986 550 HB2 TYR 76 1HB TYR 76 -8.098 2.707 6.876 551 HB3 TYR 76 2HB TYR 76 -7.076 1.629 7.819 552 HD1 TYR 76 1HD TYR 76 -7.592 -0.884 7.705 553 HD2 TYR 76 2HD TYR 76 -9.139 1.945 4.928 554 HE1 TYR 76 1HE TYR 76 -8.026 -2.701 6.105 555 HE2 TYR 76 2HE TYR 76 -9.578 0.135 3.321 556 HH TYR 76 HH TYR 76 -9.924 -2.264 3.299 557 H SER 77 H SER 77 -10.443 3.245 10.156 558 HA SER 77 HA SER 77 -9.957 5.040 11.531 559 HB2 SER 77 1HB SER 77 -8.313 2.740 12.595 560 HB3 SER 77 2HB SER 77 -8.533 4.248 13.481 561 HG SER 77 HG SER 77 -10.919 3.663 12.899 562 H VAL 78 H VAL 78 -8.537 5.438 9.232 563 HA VAL 78 HA VAL 78 -5.743 5.812 9.734 564 HB VAL 78 HB VAL 78 -7.503 6.869 7.519 565 HG11 VAL 78 1HG1 VAL 78 -4.783 6.751 6.752 566 HG12 VAL 78 2HG1 VAL 78 -5.819 8.172 6.892 567 HG13 VAL 78 3HG1 VAL 78 -4.866 7.633 8.276 568 HG21 VAL 78 1HG2 VAL 78 -7.413 4.524 7.342 569 HG22 VAL 78 2HG2 VAL 78 -6.205 5.122 6.205 570 HG23 VAL 78 3HG2 VAL 78 -5.701 4.475 7.767 571 H ARG 79 H ARG 79 -5.237 7.214 11.323 572 HA ARG 79 HA ARG 79 -6.360 9.933 11.133 573 HB2 ARG 79 1HB ARG 79 -6.055 10.139 13.557 574 HB3 ARG 79 2HB ARG 79 -7.126 8.802 13.160 575 HG2 ARG 79 1HG ARG 79 -5.834 7.785 14.720 576 HG3 ARG 79 2HG ARG 79 -4.868 7.432 13.285 577 HD2 ARG 79 1HD ARG 79 -3.374 8.218 14.959 578 HD3 ARG 79 2HD ARG 79 -3.555 9.511 13.775 579 HE ARG 79 HE ARG 79 -5.433 9.967 15.765 580 HH11 ARG 79 2HH1 ARG 79 -1.968 9.810 15.464 581 HH12 ARG 79 1HH1 ARG 79 -1.675 10.937 16.747 582 HH21 ARG 79 2HH2 ARG 79 -5.059 11.452 17.456 583 HH22 ARG 79 1HH2 ARG 79 -3.434 11.869 17.880 584 H GLY 80 H GLY 80 -3.523 7.946 11.492 585 HA2 GLY 80 1HA GLY 80 -1.841 10.367 11.589 586 HA3 GLY 80 2HA GLY 80 -1.332 8.770 12.118 587 H TYR 81 H TYR 81 -1.453 10.979 9.533 588 HA TYR 81 HA TYR 81 -0.744 8.940 7.557 589 HB2 TYR 81 1HB TYR 81 -0.905 11.836 6.858 590 HB3 TYR 81 2HB TYR 81 -1.366 10.426 5.910 591 HD1 TYR 81 2HD TYR 81 -2.397 12.472 8.840 592 HD2 TYR 81 1HD TYR 81 -3.604 9.755 5.797 593 HE1 TYR 81 2HE TYR 81 -4.749 12.828 9.465 594 HE2 TYR 81 1HE TYR 81 -5.961 10.106 6.411 595 HH TYR 81 HH TYR 81 -7.104 10.974 8.896 596 HA PRO 82 HA PRO 82 0.203 9.133 5.446 597 HB2 PRO 82 1HB PRO 82 2.182 7.431 4.697 598 HB3 PRO 82 2HB PRO 82 2.105 9.113 4.158 599 HG2 PRO 82 1HG PRO 82 3.738 7.901 6.354 600 HG3 PRO 82 2HG PRO 82 4.216 9.096 5.135 601 HD2 PRO 82 1HD PRO 82 3.580 9.782 7.675 602 HD3 PRO 82 2HD PRO 82 3.258 10.845 6.291 603 H THR 83 H THR 83 -0.387 6.859 5.040 604 HA THR 83 HA THR 83 0.019 5.075 7.331 605 HB THR 83 HB THR 83 -2.721 5.392 6.126 606 HG1 THR 83 1HG THR 83 -3.120 6.674 8.094 607 HG21 THR 83 1HG2 THR 83 -3.116 3.630 7.434 608 HG22 THR 83 2HG2 THR 83 -2.823 4.671 8.828 609 HG23 THR 83 3HG2 THR 83 -1.503 3.726 8.139 610 H LEU 84 H LEU 84 0.402 3.025 6.756 611 HA LEU 84 HA LEU 84 -0.255 2.215 4.000 612 HB2 LEU 84 1HB LEU 84 2.049 1.013 5.455 613 HB3 LEU 84 2HB LEU 84 1.786 1.192 3.722 614 HG LEU 84 HG LEU 84 2.347 3.562 5.479 615 HD11 LEU 84 1HD1 LEU 84 4.532 3.134 5.604 616 HD12 LEU 84 2HD1 LEU 84 4.605 2.543 3.945 617 HD13 LEU 84 3HD1 LEU 84 4.099 1.464 5.245 618 HD21 LEU 84 1HD2 LEU 84 1.860 3.100 2.681 619 HD22 LEU 84 2HD2 LEU 84 3.451 3.821 2.924 620 HD23 LEU 84 3HD2 LEU 84 2.013 4.624 3.557 621 H LEU 85 H LEU 85 -0.831 0.038 3.665 622 HA LEU 85 HA LEU 85 -1.124 -1.720 5.949 623 HB2 LEU 85 1HB LEU 85 -3.457 -0.515 4.498 624 HB3 LEU 85 2HB LEU 85 -3.584 -2.071 5.317 625 HG LEU 85 HG LEU 85 -2.846 0.529 6.660 626 HD11 LEU 85 1HD1 LEU 85 -5.003 0.973 6.975 627 HD12 LEU 85 2HD1 LEU 85 -5.361 -0.696 7.420 628 HD13 LEU 85 3HD1 LEU 85 -5.334 -0.224 5.721 629 HD21 LEU 85 1HD2 LEU 85 -3.363 -0.803 8.719 630 HD22 LEU 85 2HD2 LEU 85 -1.910 -1.306 7.857 631 HD23 LEU 85 3HD2 LEU 85 -3.396 -2.243 7.702 632 H LEU 86 H LEU 86 -0.895 -3.793 5.365 633 HA LEU 86 HA LEU 86 -0.699 -4.386 2.511 634 HB2 LEU 86 1HB LEU 86 1.179 -4.985 3.965 635 HB3 LEU 86 2HB LEU 86 0.112 -6.018 4.914 636 HG LEU 86 HG LEU 86 -0.247 -7.356 2.785 637 HD11 LEU 86 1HD1 LEU 86 1.896 -7.107 1.301 638 HD12 LEU 86 2HD1 LEU 86 1.865 -5.450 1.902 639 HD13 LEU 86 3HD1 LEU 86 0.482 -6.092 1.016 640 HD21 LEU 86 1HD2 LEU 86 1.048 -8.621 4.103 641 HD22 LEU 86 2HD2 LEU 86 2.079 -7.263 4.558 642 HD23 LEU 86 3HD2 LEU 86 2.360 -8.115 3.038 643 H PHE 87 H PHE 87 -1.753 -6.157 1.553 644 HA PHE 87 HA PHE 87 -3.850 -7.480 3.099 645 HB2 PHE 87 1HB PHE 87 -4.404 -6.048 0.492 646 HB3 PHE 87 2HB PHE 87 -5.564 -6.981 1.434 647 HD1 PHE 87 2HD PHE 87 -6.448 -6.114 3.530 648 HD2 PHE 87 1HD PHE 87 -3.761 -3.833 1.146 649 HE1 PHE 87 2HE PHE 87 -7.061 -4.088 4.784 650 HE2 PHE 87 1HE PHE 87 -4.368 -1.803 2.396 651 HZ PHE 87 HZ PHE 87 -6.021 -1.929 4.217 652 H ARG 88 H ARG 88 -3.798 -9.586 2.709 653 HA ARG 88 HA ARG 88 -2.971 -10.520 0.046 654 HB2 ARG 88 1HB ARG 88 -1.097 -10.709 1.696 655 HB3 ARG 88 2HB ARG 88 -2.105 -11.792 2.646 656 HG2 ARG 88 1HG ARG 88 -2.195 -13.349 0.749 657 HG3 ARG 88 2HG ARG 88 -1.139 -12.270 -0.165 658 HD2 ARG 88 1HD ARG 88 0.630 -12.570 1.454 659 HD3 ARG 88 2HD ARG 88 -0.428 -13.546 2.472 660 HE ARG 88 HE ARG 88 -0.129 -14.606 -0.173 661 HH11 ARG 88 2HH1 ARG 88 1.295 -14.444 3.000 662 HH12 ARG 88 1HH1 ARG 88 2.158 -15.937 2.831 663 HH21 ARG 88 2HH2 ARG 88 1.002 -16.572 -0.407 664 HH22 ARG 88 1HH2 ARG 88 1.991 -17.146 0.892 665 H GLY 89 H GLY 89 -4.743 -11.434 -0.773 666 HA2 GLY 89 1HA GLY 89 -6.138 -13.364 -0.921 667 HA3 GLY 89 2HA GLY 89 -6.088 -13.495 0.832 668 H GLY 90 H GLY 90 -6.542 -10.400 0.707 669 HA2 GLY 90 1HA GLY 90 -8.573 -9.183 -0.089 670 HA3 GLY 90 2HA GLY 90 -9.472 -10.614 0.390 671 H LYS 91 H LYS 91 -7.069 -10.247 2.605 672 HA LYS 91 HA LYS 91 -8.638 -8.439 4.312 673 HB2 LYS 91 1HB LYS 91 -7.699 -11.225 4.946 674 HB3 LYS 91 2HB LYS 91 -7.987 -10.051 6.224 675 HG2 LYS 91 1HG LYS 91 -10.062 -10.786 4.177 676 HG3 LYS 91 2HG LYS 91 -9.885 -11.620 5.723 677 HD2 LYS 91 1HD LYS 91 -10.117 -8.644 5.685 678 HD3 LYS 91 2HD LYS 91 -11.567 -9.627 5.469 679 HE2 LYS 91 1HE LYS 91 -11.266 -10.680 7.578 680 HE3 LYS 91 2HE LYS 91 -9.646 -10.006 7.755 681 HZ1 LYS 91 1HZ LYS 91 -11.928 -8.941 8.772 682 HZ2 LYS 91 2HZ LYS 91 -11.657 -7.995 7.396 683 HZ3 LYS 91 3HZ LYS 91 -10.459 -8.122 8.584 684 H LYS 92 H LYS 92 -7.468 -7.226 5.783 685 HA LYS 92 HA LYS 92 -4.913 -6.423 5.108 686 HB2 LYS 92 1HB LYS 92 -4.908 -5.131 7.076 687 HB3 LYS 92 2HB LYS 92 -6.605 -5.272 6.640 688 HG2 LYS 92 1HG LYS 92 -6.725 -7.206 8.265 689 HG3 LYS 92 2HG LYS 92 -5.127 -6.707 8.824 690 HD2 LYS 92 1HD LYS 92 -6.318 -4.348 8.979 691 HD3 LYS 92 2HD LYS 92 -7.760 -5.355 9.127 692 HE2 LYS 92 1HE LYS 92 -6.333 -6.630 10.903 693 HE3 LYS 92 2HE LYS 92 -5.398 -5.137 10.944 694 HZ1 LYS 92 1HZ LYS 92 -7.671 -4.026 11.259 695 HZ2 LYS 92 2HZ LYS 92 -6.982 -4.827 12.580 696 HZ3 LYS 92 3HZ LYS 92 -8.216 -5.568 11.691 697 H VAL 93 H VAL 93 -2.853 -6.866 5.857 698 HA VAL 93 HA VAL 93 -2.563 -9.459 7.212 699 HB VAL 93 HB VAL 93 -0.506 -7.959 5.586 700 HG11 VAL 93 1HG1 VAL 93 0.948 -9.374 6.488 701 HG12 VAL 93 2HG1 VAL 93 -0.338 -10.212 7.358 702 HG13 VAL 93 3HG1 VAL 93 0.077 -10.696 5.713 703 HG21 VAL 93 1HG2 VAL 93 -2.517 -8.777 4.311 704 HG22 VAL 93 2HG2 VAL 93 -0.967 -9.429 3.778 705 HG23 VAL 93 3HG2 VAL 93 -2.045 -10.413 4.767 706 H SER 94 H SER 94 -0.757 -6.386 6.995 707 HA SER 94 HA SER 94 -0.619 -6.214 9.881 708 HB2 SER 94 1HB SER 94 1.286 -7.720 9.206 709 HB3 SER 94 2HB SER 94 1.957 -6.360 8.305 710 HG SER 94 HG SER 94 2.811 -6.561 10.446 711 H GLU 95 H GLU 95 0.203 -4.173 10.628 712 HA GLU 95 HA GLU 95 -0.125 -2.067 8.614 713 HB2 GLU 95 1HB GLU 95 -1.576 -2.094 10.673 714 HB3 GLU 95 2HB GLU 95 -0.129 -1.770 11.619 715 HG2 GLU 95 1HG GLU 95 0.172 0.348 10.580 716 HG3 GLU 95 2HG GLU 95 -1.087 0.010 9.394 717 H HIS 96 H HIS 96 1.770 -1.522 7.729 718 HA HIS 96 HA HIS 96 4.288 -1.800 8.933 719 HB2 HIS 96 1HB HIS 96 3.801 -1.563 6.463 720 HB3 HIS 96 2HB HIS 96 3.597 0.164 6.743 721 HD1 HIS 96 1HD HIS 96 6.123 -0.081 8.914 722 HD2 HIS 96 2HD HIS 96 6.044 -0.850 4.831 723 HE1 HIS 96 1HE HIS 96 8.505 0.143 8.141 724 HE2 HIS 96 2HE HIS 96 8.420 -0.243 5.654 725 H SER 97 H SER 97 4.778 -0.816 10.794 726 HA SER 97 HA SER 97 4.496 2.108 10.905 727 HB2 SER 97 1HB SER 97 3.869 1.973 13.276 728 HB3 SER 97 2HB SER 97 2.703 1.114 12.270 729 HG SER 97 HG SER 97 3.723 -0.830 12.856 730 H GLY 98 H GLY 98 6.796 1.602 10.109 731 HA2 GLY 98 1HA GLY 98 8.667 2.411 11.921 732 HA3 GLY 98 2HA GLY 98 8.670 0.661 12.076 733 H GLY 99 H GLY 99 8.818 3.190 9.566 734 HA2 GLY 99 1HA GLY 99 11.259 2.540 8.496 735 HA3 GLY 99 2HA GLY 99 10.127 1.463 7.692 736 H ARG 100 H ARG 100 8.496 2.353 6.350 737 HA ARG 100 HA ARG 100 7.701 3.764 4.752 738 HB2 ARG 100 1HB ARG 100 8.674 5.876 6.684 739 HB3 ARG 100 2HB ARG 100 7.649 6.187 5.290 740 HG2 ARG 100 1HG ARG 100 6.143 4.346 6.453 741 HG3 ARG 100 2HG ARG 100 6.992 4.924 7.888 742 HD2 ARG 100 1HD ARG 100 6.355 7.280 6.880 743 HD3 ARG 100 2HD ARG 100 5.079 6.342 6.104 744 HE ARG 100 HE ARG 100 5.312 6.983 8.908 745 HH11 ARG 100 2HH1 ARG 100 3.873 4.894 6.525 746 HH12 ARG 100 1HH1 ARG 100 2.540 4.442 7.534 747 HH21 ARG 100 2HH2 ARG 100 3.562 6.397 10.248 748 HH22 ARG 100 1HH2 ARG 100 2.363 5.299 9.653 749 H ASP 101 H ASP 101 10.208 2.708 4.280 750 HA ASP 101 HA ASP 101 11.460 4.883 2.747 751 HB2 ASP 101 1HB ASP 101 12.964 2.703 4.211 752 HB3 ASP 101 2HB ASP 101 13.675 3.988 3.239 753 H LEU 102 H LEU 102 12.150 4.366 0.709 754 HA LEU 102 HA LEU 102 10.916 2.573 -0.848 755 HB2 LEU 102 1HB LEU 102 12.361 4.134 -1.865 756 HB3 LEU 102 2HB LEU 102 13.763 3.517 -0.994 757 HG LEU 102 HG LEU 102 13.763 1.510 -2.350 758 HD11 LEU 102 1HD1 LEU 102 11.519 1.054 -2.802 759 HD12 LEU 102 2HD1 LEU 102 12.191 1.507 -4.369 760 HD13 LEU 102 3HD1 LEU 102 11.227 2.667 -3.455 761 HD21 LEU 102 1HD2 LEU 102 14.624 3.903 -3.143 762 HD22 LEU 102 2HD2 LEU 102 13.447 3.604 -4.423 763 HD23 LEU 102 3HD2 LEU 102 14.765 2.462 -4.152 764 H ASP 103 H ASP 103 13.670 1.869 1.221 765 HA ASP 103 HA ASP 103 13.842 -0.872 0.297 766 HB2 ASP 103 1HB ASP 103 15.877 0.392 0.938 767 HB3 ASP 103 2HB ASP 103 15.276 0.487 2.590 768 H SER 104 H SER 104 13.337 0.630 3.497 769 HA SER 104 HA SER 104 12.583 -1.560 4.936 770 HB2 SER 104 1HB SER 104 11.595 -0.103 6.494 771 HB3 SER 104 2HB SER 104 12.783 0.909 5.673 772 HG SER 104 HG SER 104 10.017 0.775 5.047 773 H LEU 105 H LEU 105 10.798 0.014 2.425 774 HA LEU 105 HA LEU 105 8.286 -1.251 3.103 775 HB2 LEU 105 1HB LEU 105 9.082 0.274 0.627 776 HB3 LEU 105 2HB LEU 105 7.444 -0.199 1.075 777 HG LEU 105 HG LEU 105 9.076 1.614 2.824 778 HD11 LEU 105 1HD1 LEU 105 8.137 3.527 1.715 779 HD12 LEU 105 2HD1 LEU 105 7.254 2.494 0.592 780 HD13 LEU 105 3HD1 LEU 105 9.014 2.555 0.534 781 HD21 LEU 105 1HD2 LEU 105 6.169 0.945 2.500 782 HD22 LEU 105 2HD2 LEU 105 6.696 2.417 3.317 783 HD23 LEU 105 3HD2 LEU 105 7.176 0.839 3.944 784 H HIS 106 H HIS 106 10.957 -1.752 0.894 785 HA HIS 106 HA HIS 106 9.665 -3.736 -0.698 786 HB2 HIS 106 1HB HIS 106 11.635 -2.387 -1.445 787 HB3 HIS 106 2HB HIS 106 12.632 -3.299 -0.316 788 HD1 HIS 106 1HD HIS 106 13.908 -5.047 -1.484 789 HD2 HIS 106 2HD HIS 106 10.178 -4.459 -3.216 790 HE1 HIS 106 1HE HIS 106 13.790 -6.677 -3.397 791 HE2 HIS 106 2HE HIS 106 11.558 -6.243 -4.482 792 H ARG 107 H ARG 107 11.910 -3.844 2.044 793 HA ARG 107 HA ARG 107 12.051 -6.694 2.106 794 HB2 ARG 107 1HB ARG 107 13.275 -6.421 4.160 795 HB3 ARG 107 2HB ARG 107 13.809 -5.187 3.026 796 HG2 ARG 107 1HG ARG 107 13.594 -3.908 4.886 797 HG3 ARG 107 2HG ARG 107 11.950 -3.767 4.259 798 HD2 ARG 107 1HD ARG 107 11.944 -4.244 6.652 799 HD3 ARG 107 2HD ARG 107 11.225 -5.568 5.736 800 HE ARG 107 HE ARG 107 12.958 -6.933 6.391 801 HH11 ARG 107 2HH1 ARG 107 13.692 -3.626 7.194 802 HH12 ARG 107 1HH1 ARG 107 15.072 -4.030 8.160 803 HH21 ARG 107 2HH2 ARG 107 14.772 -7.478 7.661 804 HH22 ARG 107 1HH2 ARG 107 15.686 -6.221 8.424 805 H PHE 108 H PHE 108 10.059 -4.268 3.675 806 HA PHE 108 HA PHE 108 8.930 -5.707 5.733 807 HB2 PHE 108 1HB PHE 108 8.395 -3.396 5.536 808 HB3 PHE 108 2HB PHE 108 7.733 -3.615 3.919 809 HD1 PHE 108 2HD PHE 108 5.576 -4.846 3.642 810 HD2 PHE 108 1HD PHE 108 7.062 -3.668 7.452 811 HE1 PHE 108 2HE PHE 108 3.329 -5.129 4.601 812 HE2 PHE 108 1HE PHE 108 4.816 -3.949 8.418 813 HZ PHE 108 HZ PHE 108 2.946 -4.678 6.992 814 H VAL 109 H VAL 109 7.781 -5.526 2.369 815 HA VAL 109 HA VAL 109 5.688 -7.418 2.747 816 HB VAL 109 HB VAL 109 7.014 -6.489 0.197 817 HG11 VAL 109 1HG1 VAL 109 5.957 -8.486 -0.385 818 HG12 VAL 109 2HG1 VAL 109 4.605 -8.199 0.712 819 HG13 VAL 109 3HG1 VAL 109 4.759 -7.250 -0.767 820 HG21 VAL 109 1HG2 VAL 109 6.040 -4.575 0.999 821 HG22 VAL 109 2HG2 VAL 109 4.683 -5.271 0.113 822 HG23 VAL 109 3HG2 VAL 109 4.776 -5.448 1.865 823 H LEU 110 H LEU 110 8.977 -7.624 1.454 824 HA LEU 110 HA LEU 110 8.955 -10.216 0.489 825 HB2 LEU 110 1HB LEU 110 11.123 -8.592 1.786 826 HB3 LEU 110 2HB LEU 110 11.420 -10.211 1.155 827 HG LEU 110 HG LEU 110 10.289 -8.044 -0.587 828 HD11 LEU 110 1HD1 LEU 110 12.868 -8.046 -1.299 829 HD12 LEU 110 2HD1 LEU 110 13.047 -8.341 0.430 830 HD13 LEU 110 3HD1 LEU 110 12.190 -6.907 -0.135 831 HD21 LEU 110 1HD2 LEU 110 12.132 -9.966 -1.730 832 HD22 LEU 110 2HD2 LEU 110 10.490 -9.545 -2.220 833 HD23 LEU 110 3HD2 LEU 110 10.753 -10.748 -0.956 834 H SER 111 H SER 111 8.962 -9.087 3.769 835 HA SER 111 HA SER 111 9.637 -11.704 4.843 836 HB2 SER 111 1HB SER 111 9.126 -10.436 7.061 837 HB3 SER 111 2HB SER 111 10.582 -10.020 6.157 838 HG SER 111 HG SER 111 9.814 -8.075 6.108 839 H GLN 112 H GLN 112 6.871 -9.478 4.815 840 HA GLN 112 HA GLN 112 5.114 -11.085 6.298 841 HB2 GLN 112 1HB GLN 112 4.461 -9.073 4.138 842 HB3 GLN 112 2HB GLN 112 3.324 -9.711 5.317 843 HG2 GLN 112 1HG GLN 112 5.813 -8.282 6.171 844 HG3 GLN 112 2HG GLN 112 4.347 -7.403 5.733 845 HE21 GLN 112 1HE2 GLN 112 6.028 -8.640 8.247 846 HE22 GLN 112 2HE2 GLN 112 4.749 -8.844 9.390 847 H ALA 113 H ALA 113 5.297 -10.649 2.761 848 HA ALA 113 HA ALA 113 3.412 -12.557 2.046 849 HB1 ALA 113 1HB ALA 113 4.417 -12.547 -0.147 850 HB2 ALA 113 2HB ALA 113 4.411 -10.906 0.503 851 HB3 ALA 113 3HB ALA 113 5.902 -11.848 0.500 852 H LYS 114 H LYS 114 6.906 -12.941 2.541 853 HA LYS 114 HA LYS 114 7.445 -15.439 1.735 854 HB2 LYS 114 1HB LYS 114 8.281 -13.909 4.144 855 HB3 LYS 114 2HB LYS 114 8.693 -15.618 4.092 856 HG2 LYS 114 1HG LYS 114 9.316 -13.955 1.712 857 HG3 LYS 114 2HG LYS 114 10.317 -13.769 3.154 858 HD2 LYS 114 1HD LYS 114 10.361 -16.397 3.063 859 HD3 LYS 114 2HD LYS 114 9.978 -16.128 1.361 860 HE2 LYS 114 1HE LYS 114 12.313 -14.909 2.833 861 HE3 LYS 114 2HE LYS 114 12.404 -16.325 1.785 862 HZ1 LYS 114 1HZ LYS 114 12.885 -14.805 0.228 863 HZ2 LYS 114 2HZ LYS 114 12.196 -13.523 1.090 864 HZ3 LYS 114 3HZ LYS 114 11.212 -14.554 0.178 865 H ASP 115 H ASP 115 6.274 -17.233 1.825 866 HA ASP 115 HA ASP 115 4.745 -17.813 4.269 867 HB2 ASP 115 1HB ASP 115 3.562 -17.680 2.022 868 HB3 ASP 115 2HB ASP 115 4.419 -19.157 1.587 869 H GLU 116 H GLU 116 5.334 -19.440 5.549 870 HA GLU 116 HA GLU 116 7.183 -21.466 4.474 871 HB2 GLU 116 1HB GLU 116 8.331 -21.518 6.627 872 HB3 GLU 116 2HB GLU 116 8.384 -19.902 5.937 873 HG2 GLU 116 1HG GLU 116 6.335 -20.716 7.971 874 HG3 GLU 116 2HG GLU 116 7.915 -20.076 8.416 875 H LEU 117 H LEU 117 7.074 -23.556 5.457 876 HA LEU 117 HA LEU 117 4.909 -24.140 7.279 877 HB2 LEU 117 1HB LEU 117 3.826 -25.755 5.787 878 HB3 LEU 117 2HB LEU 117 3.710 -24.103 5.186 879 HG LEU 117 HG LEU 117 5.838 -24.843 3.794 880 HD11 LEU 117 1HD1 LEU 117 6.007 -27.088 3.287 881 HD12 LEU 117 2HD1 LEU 117 4.376 -27.449 3.849 882 HD13 LEU 117 3HD1 LEU 117 5.659 -27.129 5.015 883 HD21 LEU 117 1HD2 LEU 117 3.793 -25.976 2.293 884 HD22 LEU 117 2HD2 LEU 117 4.300 -24.286 2.286 885 HD23 LEU 117 3HD2 LEU 117 2.982 -24.808 3.337 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -9.931 -6.783 -15.178 2 HA2 GLY 1 1HA GLY 1 -9.090 -8.832 -13.375 3 HA3 GLY 1 2HA GLY 1 -9.331 -9.467 -14.996 4 H SER 2 H SER 2 -7.420 -7.342 -12.991 5 HA SER 2 HA SER 2 -5.366 -6.402 -13.259 6 HB2 SER 2 1HB SER 2 -5.215 -8.828 -15.019 7 HB3 SER 2 2HB SER 2 -3.869 -7.689 -14.981 8 HG SER 2 HG SER 2 -4.915 -8.553 -12.542 9 H SER 3 H SER 3 -7.404 -5.132 -14.640 10 HA SER 3 HA SER 3 -6.520 -4.576 -17.336 11 HB2 SER 3 1HB SER 3 -8.941 -4.616 -16.677 12 HB3 SER 3 2HB SER 3 -8.656 -3.156 -15.729 13 HG SER 3 HG SER 3 -7.699 -2.491 -17.973 14 H GLY 4 H GLY 4 -5.555 -2.718 -18.076 15 HA2 GLY 4 1HA GLY 4 -4.094 -0.945 -17.961 16 HA3 GLY 4 2HA GLY 4 -5.242 -0.299 -16.799 17 H SER 5 H SER 5 -2.731 -2.832 -16.881 18 HA SER 5 HA SER 5 -2.128 -2.585 -14.120 19 HB2 SER 5 1HB SER 5 -0.265 -4.075 -14.575 20 HB3 SER 5 2HB SER 5 -1.679 -4.631 -15.469 21 HG SER 5 HG SER 5 0.522 -4.394 -16.561 22 H SER 6 H SER 6 -1.659 -0.468 -13.604 23 HA SER 6 HA SER 6 -0.011 1.284 -14.985 24 HB2 SER 6 1HB SER 6 -0.704 1.047 -12.062 25 HB3 SER 6 2HB SER 6 0.358 2.326 -12.656 26 HG SER 6 HG SER 6 -1.332 2.999 -14.025 27 H GLY 7 H GLY 7 2.124 2.157 -14.039 28 HA2 GLY 7 1HA GLY 7 3.864 -0.118 -13.314 29 HA3 GLY 7 2HA GLY 7 4.327 1.041 -14.552 30 H THR 8 H THR 8 2.772 2.923 -12.470 31 HA THR 8 HA THR 8 5.176 3.417 -10.835 32 HB THR 8 HB THR 8 4.394 5.829 -10.788 33 HG1 THR 8 1HG THR 8 2.477 6.085 -11.657 34 HG21 THR 8 1HG2 THR 8 4.937 5.531 -13.603 35 HG22 THR 8 2HG2 THR 8 5.944 4.435 -12.657 36 HG23 THR 8 3HG2 THR 8 5.973 6.166 -12.326 37 H VAL 9 H VAL 9 1.643 3.787 -10.953 38 HA VAL 9 HA VAL 9 1.418 2.981 -8.198 39 HB VAL 9 HB VAL 9 0.737 5.807 -9.004 40 HG11 VAL 9 1HG1 VAL 9 -0.613 4.077 -7.146 41 HG12 VAL 9 2HG1 VAL 9 0.119 5.441 -6.300 42 HG13 VAL 9 3HG1 VAL 9 -1.007 5.726 -7.628 43 HG21 VAL 9 1HG2 VAL 9 2.059 6.222 -6.841 44 HG22 VAL 9 2HG2 VAL 9 2.622 4.561 -7.030 45 HG23 VAL 9 3HG2 VAL 9 2.958 5.754 -8.284 46 H LEU 10 H LEU 10 -0.478 1.980 -7.847 47 HA LEU 10 HA LEU 10 -2.374 1.863 -10.047 48 HB2 LEU 10 1HB LEU 10 -1.925 0.272 -7.555 49 HB3 LEU 10 2HB LEU 10 -3.456 0.148 -8.421 50 HG LEU 10 HG LEU 10 -0.933 -0.265 -9.947 51 HD11 LEU 10 1HD1 LEU 10 -2.137 -2.580 -8.506 52 HD12 LEU 10 2HD1 LEU 10 -0.957 -1.564 -7.679 53 HD13 LEU 10 3HD1 LEU 10 -0.517 -2.387 -9.175 54 HD21 LEU 10 1HD2 LEU 10 -2.529 -2.093 -10.880 55 HD22 LEU 10 2HD2 LEU 10 -2.786 -0.403 -11.316 56 HD23 LEU 10 3HD2 LEU 10 -3.783 -1.153 -10.070 57 H ALA 11 H ALA 11 -4.248 2.916 -10.097 58 HA ALA 11 HA ALA 11 -5.072 4.421 -7.729 59 HB1 ALA 11 1HB ALA 11 -5.082 4.949 -10.521 60 HB2 ALA 11 2HB ALA 11 -6.748 4.989 -9.943 61 HB3 ALA 11 3HB ALA 11 -5.529 6.021 -9.194 62 H LEU 12 H LEU 12 -6.388 3.340 -6.407 63 HA LEU 12 HA LEU 12 -8.457 1.607 -7.574 64 HB2 LEU 12 1HB LEU 12 -7.577 1.684 -4.699 65 HB3 LEU 12 2HB LEU 12 -8.544 0.448 -5.500 66 HG LEU 12 HG LEU 12 -5.614 0.994 -5.980 67 HD11 LEU 12 1HD1 LEU 12 -5.261 -1.160 -4.908 68 HD12 LEU 12 2HD1 LEU 12 -6.992 -1.312 -4.611 69 HD13 LEU 12 3HD1 LEU 12 -6.069 -0.041 -3.811 70 HD21 LEU 12 1HD2 LEU 12 -6.332 -1.496 -7.003 71 HD22 LEU 12 2HD2 LEU 12 -5.918 -0.047 -7.920 72 HD23 LEU 12 3HD2 LEU 12 -7.604 -0.398 -7.538 73 H THR 13 H THR 13 -10.597 1.679 -6.713 74 HA THR 13 HA THR 13 -11.274 4.168 -5.297 75 HB THR 13 HB THR 13 -13.284 4.418 -6.690 76 HG1 THR 13 1HG THR 13 -13.839 2.623 -7.684 77 HG21 THR 13 1HG2 THR 13 -12.229 5.502 -8.431 78 HG22 THR 13 2HG2 THR 13 -11.038 4.219 -8.647 79 HG23 THR 13 3HG2 THR 13 -10.897 5.332 -7.288 80 H GLU 14 H GLU 14 -13.573 4.096 -4.445 81 HA GLU 14 HA GLU 14 -13.871 1.972 -2.672 82 HB2 GLU 14 1HB GLU 14 -14.968 4.376 -2.776 83 HB3 GLU 14 2HB GLU 14 -16.282 3.499 -3.546 84 HG2 GLU 14 1HG GLU 14 -16.076 1.921 -1.494 85 HG3 GLU 14 2HG GLU 14 -15.246 3.290 -0.758 86 H ASN 15 H ASN 15 -14.536 2.076 -5.980 87 HA ASN 15 HA ASN 15 -16.536 -0.056 -5.843 88 HB2 ASN 15 1HB ASN 15 -17.058 1.754 -7.368 89 HB3 ASN 15 2HB ASN 15 -15.503 1.571 -8.175 90 HD21 ASN 15 1HD2 ASN 15 -15.620 0.573 -10.037 91 HD22 ASN 15 2HD2 ASN 15 -16.754 -0.655 -10.473 92 H ASN 16 H ASN 16 -13.251 0.586 -6.911 93 HA ASN 16 HA ASN 16 -12.924 -2.297 -7.430 94 HB2 ASN 16 1HB ASN 16 -10.910 -1.346 -8.872 95 HB3 ASN 16 2HB ASN 16 -12.534 -1.473 -9.539 96 HD21 ASN 16 1HD2 ASN 16 -10.153 0.696 -8.190 97 HD22 ASN 16 2HD2 ASN 16 -10.840 2.152 -8.817 98 H PHE 17 H PHE 17 -12.614 -0.979 -4.898 99 HA PHE 17 HA PHE 17 -9.737 -0.806 -4.481 100 HB2 PHE 17 1HB PHE 17 -10.902 0.880 -3.314 101 HB3 PHE 17 2HB PHE 17 -12.131 -0.245 -2.746 102 HD1 PHE 17 1HD PHE 17 -11.504 -1.954 -1.016 103 HD2 PHE 17 2HD PHE 17 -8.972 1.306 -2.055 104 HE1 PHE 17 1HE PHE 17 -10.263 -2.251 1.088 105 HE2 PHE 17 2HE PHE 17 -7.728 1.014 0.046 106 HZ PHE 17 HZ PHE 17 -8.372 -0.767 1.621 107 H ASP 18 H ASP 18 -12.471 -2.850 -3.621 108 HA ASP 18 HA ASP 18 -10.857 -4.598 -1.982 109 HB2 ASP 18 1HB ASP 18 -12.837 -5.721 -1.454 110 HB3 ASP 18 2HB ASP 18 -13.378 -4.064 -1.709 111 H ASP 19 H ASP 19 -12.598 -4.896 -5.074 112 HA ASP 19 HA ASP 19 -12.003 -7.451 -5.793 113 HB2 ASP 19 1HB ASP 19 -12.242 -4.931 -7.397 114 HB3 ASP 19 2HB ASP 19 -11.779 -6.429 -8.199 115 H THR 20 H THR 20 -9.836 -4.687 -5.838 116 HA THR 20 HA THR 20 -7.730 -5.867 -7.295 117 HB THR 20 HB THR 20 -7.702 -3.655 -5.237 118 HG1 THR 20 1HG THR 20 -8.790 -3.229 -7.234 119 HG21 THR 20 1HG2 THR 20 -5.480 -3.889 -5.178 120 HG22 THR 20 2HG2 THR 20 -5.469 -3.372 -6.865 121 HG23 THR 20 3HG2 THR 20 -5.502 -5.090 -6.469 122 H ILE 21 H ILE 21 -7.722 -5.170 -3.798 123 HA ILE 21 HA ILE 21 -5.602 -6.904 -3.203 124 HB ILE 21 HB ILE 21 -6.242 -6.672 -0.864 125 HG12 ILE 21 1HG1 ILE 21 -8.700 -5.213 -1.845 126 HG13 ILE 21 2HG1 ILE 21 -8.713 -6.883 -1.289 127 HG21 ILE 21 1HG2 ILE 21 -6.659 -3.995 -1.108 128 HG22 ILE 21 2HG2 ILE 21 -5.088 -4.785 -1.231 129 HG23 ILE 21 3HG2 ILE 21 -5.997 -4.397 -2.692 130 HD11 ILE 21 1HD1 ILE 21 -9.286 -4.824 0.290 131 HD12 ILE 21 2HD1 ILE 21 -8.522 -6.299 0.884 132 HD13 ILE 21 3HD1 ILE 21 -7.541 -4.876 0.534 133 H ALA 22 H ALA 22 -8.845 -7.575 -3.943 134 HA ALA 22 HA ALA 22 -9.418 -9.820 -2.403 135 HB1 ALA 22 1HB ALA 22 -11.220 -10.087 -3.742 136 HB2 ALA 22 2HB ALA 22 -10.758 -8.476 -4.294 137 HB3 ALA 22 3HB ALA 22 -10.285 -9.898 -5.225 138 H GLU 23 H GLU 23 -7.487 -9.508 -5.331 139 HA GLU 23 HA GLU 23 -6.693 -12.329 -5.021 140 HB2 GLU 23 1HB GLU 23 -6.182 -12.159 -7.543 141 HB3 GLU 23 2HB GLU 23 -7.858 -12.333 -7.042 142 HG2 GLU 23 1HG GLU 23 -8.400 -10.178 -7.615 143 HG3 GLU 23 2HG GLU 23 -6.741 -9.603 -7.452 144 H GLY 24 H GLY 24 -4.594 -12.680 -4.679 145 HA2 GLY 24 1HA GLY 24 -2.312 -12.364 -4.650 146 HA3 GLY 24 2HA GLY 24 -2.528 -11.096 -5.847 147 H ILE 25 H ILE 25 -0.628 -10.665 -4.037 148 HA ILE 25 HA ILE 25 -1.650 -9.242 -1.743 149 HB ILE 25 HB ILE 25 1.165 -9.464 -2.813 150 HG12 ILE 25 1HG1 ILE 25 -0.172 -10.850 -0.479 151 HG13 ILE 25 2HG1 ILE 25 0.172 -11.596 -2.036 152 HG21 ILE 25 1HG2 ILE 25 1.855 -8.022 -1.263 153 HG22 ILE 25 2HG2 ILE 25 0.162 -7.579 -1.050 154 HG23 ILE 25 3HG2 ILE 25 0.892 -8.801 -0.007 155 HD11 ILE 25 1HD1 ILE 25 2.018 -10.865 0.170 156 HD12 ILE 25 2HD1 ILE 25 1.952 -12.325 -0.818 157 HD13 ILE 25 3HD1 ILE 25 2.623 -10.839 -1.486 158 H THR 26 H THR 26 -2.083 -7.136 -1.608 159 HA THR 26 HA THR 26 -0.995 -5.325 -3.652 160 HB THR 26 HB THR 26 -3.879 -5.415 -2.748 161 HG1 THR 26 1HG THR 26 -4.064 -6.610 -4.476 162 HG21 THR 26 1HG2 THR 26 -2.302 -3.222 -3.696 163 HG22 THR 26 2HG2 THR 26 -4.010 -3.251 -3.258 164 HG23 THR 26 3HG2 THR 26 -3.515 -3.634 -4.907 165 H PHE 27 H PHE 27 0.144 -3.806 -2.662 166 HA PHE 27 HA PHE 27 -0.418 -3.134 0.115 167 HB2 PHE 27 1HB PHE 27 1.930 -3.553 -1.006 168 HB3 PHE 27 2HB PHE 27 1.782 -1.858 -1.461 169 HD1 PHE 27 1HD PHE 27 0.767 -3.633 1.649 170 HD2 PHE 27 2HD PHE 27 3.262 -0.684 -0.137 171 HE1 PHE 27 1HE PHE 27 1.572 -2.971 3.877 172 HE2 PHE 27 2HE PHE 27 4.072 -0.017 2.088 173 HZ PHE 27 HZ PHE 27 3.228 -1.161 4.099 174 H ILE 28 H ILE 28 -1.898 -1.622 0.476 175 HA ILE 28 HA ILE 28 -2.202 0.580 -1.437 176 HB ILE 28 HB ILE 28 -4.009 -0.241 0.840 177 HG12 ILE 28 1HG1 ILE 28 -4.584 -0.506 -2.104 178 HG13 ILE 28 2HG1 ILE 28 -3.770 -1.785 -1.211 179 HG21 ILE 28 1HG2 ILE 28 -4.429 2.021 0.547 180 HG22 ILE 28 2HG2 ILE 28 -4.141 1.951 -1.191 181 HG23 ILE 28 3HG2 ILE 28 -5.618 1.265 -0.514 182 HD11 ILE 28 1HD1 ILE 28 -6.460 -1.552 -1.531 183 HD12 ILE 28 2HD1 ILE 28 -5.663 -2.472 -0.253 184 HD13 ILE 28 3HD1 ILE 28 -6.219 -0.828 0.059 185 H LYS 29 H LYS 29 -2.242 2.747 -0.759 186 HA LYS 29 HA LYS 29 -1.107 3.253 1.911 187 HB2 LYS 29 1HB LYS 29 0.696 3.549 0.370 188 HB3 LYS 29 2HB LYS 29 -0.314 4.478 -0.730 189 HG2 LYS 29 1HG LYS 29 -0.521 6.053 1.392 190 HG3 LYS 29 2HG LYS 29 1.033 5.308 1.774 191 HD2 LYS 29 1HD LYS 29 1.267 7.409 0.494 192 HD3 LYS 29 2HD LYS 29 1.937 6.014 -0.356 193 HE2 LYS 29 1HE LYS 29 0.271 6.010 -1.939 194 HE3 LYS 29 2HE LYS 29 -0.893 6.793 -0.871 195 HZ1 LYS 29 1HZ LYS 29 1.469 8.142 -2.061 196 HZ2 LYS 29 2HZ LYS 29 0.247 8.870 -1.145 197 HZ3 LYS 29 3HZ LYS 29 -0.103 8.242 -2.677 198 H PHE 30 H PHE 30 -2.149 4.728 3.095 199 HA PHE 30 HA PHE 30 -4.189 6.371 1.750 200 HB2 PHE 30 1HB PHE 30 -4.221 5.700 4.682 201 HB3 PHE 30 2HB PHE 30 -5.555 6.221 3.660 202 HD1 PHE 30 1HD PHE 30 -3.151 3.407 4.063 203 HD2 PHE 30 2HD PHE 30 -7.037 4.652 2.852 204 HE1 PHE 30 1HE PHE 30 -3.789 1.057 3.709 205 HE2 PHE 30 2HE PHE 30 -7.682 2.304 2.497 206 HZ PHE 30 HZ PHE 30 -6.057 0.504 2.925 207 H TYR 31 H TYR 31 -3.106 8.243 1.360 208 HA TYR 31 HA TYR 31 -1.817 9.562 3.656 209 HB2 TYR 31 1HB TYR 31 -0.342 10.634 2.200 210 HB3 TYR 31 2HB TYR 31 -0.501 9.033 1.486 211 HD1 TYR 31 1HD TYR 31 -1.769 8.717 -0.588 212 HD2 TYR 31 2HD TYR 31 -1.206 12.589 1.085 213 HE1 TYR 31 1HE TYR 31 -2.450 9.732 -2.722 214 HE2 TYR 31 2HE TYR 31 -1.888 13.614 -1.044 215 HH TYR 31 HH TYR 31 -2.017 11.992 -3.907 216 H ALA 32 H ALA 32 -1.801 12.099 3.167 217 HA ALA 32 HA ALA 32 -4.508 12.919 2.370 218 HB1 ALA 32 1HB ALA 32 -4.046 14.629 4.412 219 HB2 ALA 32 2HB ALA 32 -4.961 13.128 4.564 220 HB3 ALA 32 3HB ALA 32 -3.257 13.173 5.018 221 HA PRO 33 HA PRO 33 -2.228 15.921 0.052 222 HB2 PRO 33 1HB PRO 33 -4.335 17.473 -0.669 223 HB3 PRO 33 2HB PRO 33 -4.002 15.901 -1.407 224 HG2 PRO 33 1HG PRO 33 -5.953 16.607 0.751 225 HG3 PRO 33 2HG PRO 33 -6.172 15.545 -0.652 226 HD2 PRO 33 1HD PRO 33 -5.672 14.592 1.833 227 HD3 PRO 33 2HD PRO 33 -5.103 13.774 0.364 228 H TRP 34 H TRP 34 -3.521 16.353 3.051 229 HA TRP 34 HA TRP 34 -2.883 19.227 3.109 230 HB2 TRP 34 1HB TRP 34 -4.190 19.241 5.256 231 HB3 TRP 34 2HB TRP 34 -5.141 18.858 3.823 232 HD1 TRP 34 HD TRP 34 -6.550 16.706 3.930 233 HE1 TRP 34 1HE TRP 34 -6.713 14.708 5.542 234 HE3 TRP 34 3HE TRP 34 -2.546 17.755 6.931 235 HZ2 TRP 34 2HZ TRP 34 -5.329 13.707 7.791 236 HZ3 TRP 34 3HZ TRP 34 -2.034 16.227 8.791 237 HH2 TRP 34 HH TRP 34 -3.398 14.246 9.210 238 H CYS 35 H CYS 35 -1.700 16.212 3.928 239 HA CYS 35 HA CYS 35 -0.330 17.021 6.346 240 HB2 CYS 35 1HB CYS 35 -1.212 14.662 5.814 241 HB3 CYS 35 2HB CYS 35 0.205 14.505 4.782 242 HG CYS 35 HG CYS 35 0.373 13.296 7.459 243 H GLY 36 H GLY 36 2.060 16.709 6.513 244 HA2 GLY 36 1HA GLY 36 3.338 17.857 4.119 245 HA3 GLY 36 2HA GLY 36 3.906 18.068 5.769 246 H HIS 37 H HIS 37 4.038 15.577 6.768 247 HA HIS 37 HA HIS 37 6.439 14.573 5.876 248 HB2 HIS 37 1HB HIS 37 4.186 13.101 7.256 249 HB3 HIS 37 2HB HIS 37 5.820 12.470 7.076 250 HD1 HIS 37 1HD HIS 37 3.770 14.272 9.387 251 HD2 HIS 37 2HD HIS 37 7.792 14.344 8.347 252 HE1 HIS 37 1HE HIS 37 4.939 15.409 11.302 253 HE2 HIS 37 2HE HIS 37 7.359 15.518 10.612 254 H CYS 38 H CYS 38 3.219 13.900 4.694 255 HA CYS 38 HA CYS 38 3.694 11.568 3.246 256 HB2 CYS 38 1HB CYS 38 1.446 12.164 3.403 257 HB3 CYS 38 2HB CYS 38 1.753 13.833 2.943 258 HG CYS 38 HG CYS 38 2.235 11.361 0.660 259 H LYS 39 H LYS 39 3.961 14.955 2.196 260 HA LYS 39 HA LYS 39 4.598 14.695 -0.430 261 HB2 LYS 39 1HB LYS 39 5.572 16.572 1.685 262 HB3 LYS 39 2HB LYS 39 6.286 16.647 0.080 263 HG2 LYS 39 1HG LYS 39 4.585 18.231 0.025 264 HG3 LYS 39 2HG LYS 39 3.887 16.825 -0.782 265 HD2 LYS 39 1HD LYS 39 2.461 16.364 0.961 266 HD3 LYS 39 2HD LYS 39 3.507 17.129 2.159 267 HE2 LYS 39 1HE LYS 39 2.021 18.659 0.033 268 HE3 LYS 39 2HE LYS 39 1.367 18.351 1.641 269 HZ1 LYS 39 1HZ LYS 39 2.846 20.491 0.983 270 HZ2 LYS 39 2HZ LYS 39 4.031 19.467 1.621 271 HZ3 LYS 39 3HZ LYS 39 2.687 19.890 2.557 272 H THR 40 H THR 40 6.561 13.782 2.291 273 HA THR 40 HA THR 40 9.007 13.507 0.827 274 HB THR 40 HB THR 40 8.197 12.364 3.508 275 HG1 THR 40 1HG THR 40 8.431 14.436 3.964 276 HG21 THR 40 1HG2 THR 40 10.412 11.717 3.865 277 HG22 THR 40 2HG2 THR 40 11.016 12.705 2.534 278 HG23 THR 40 3HG2 THR 40 10.110 11.229 2.198 279 H LEU 41 H LEU 41 6.404 11.332 1.805 280 HA LEU 41 HA LEU 41 7.728 8.997 0.758 281 HB2 LEU 41 1HB LEU 41 6.189 8.907 2.688 282 HB3 LEU 41 2HB LEU 41 4.863 9.365 1.621 283 HG LEU 41 HG LEU 41 5.595 7.198 0.320 284 HD11 LEU 41 1HD1 LEU 41 7.364 6.257 1.350 285 HD12 LEU 41 2HD1 LEU 41 6.119 5.564 2.388 286 HD13 LEU 41 3HD1 LEU 41 6.997 7.004 2.906 287 HD21 LEU 41 1HD2 LEU 41 4.206 6.337 2.714 288 HD22 LEU 41 2HD2 LEU 41 3.632 6.442 1.051 289 HD23 LEU 41 3HD2 LEU 41 3.578 7.863 2.093 290 H ALA 42 H ALA 42 5.734 11.479 -0.484 291 HA ALA 42 HA ALA 42 4.165 10.508 -2.413 292 HB1 ALA 42 1HB ALA 42 5.742 12.454 -3.745 293 HB2 ALA 42 2HB ALA 42 4.154 12.646 -3.001 294 HB3 ALA 42 3HB ALA 42 5.613 12.921 -2.049 295 HA PRO 43 HA PRO 43 7.761 9.644 -5.512 296 HB2 PRO 43 1HB PRO 43 10.302 9.833 -4.575 297 HB3 PRO 43 2HB PRO 43 9.431 11.203 -5.274 298 HG2 PRO 43 1HG PRO 43 9.858 10.499 -2.395 299 HG3 PRO 43 2HG PRO 43 9.963 12.082 -3.188 300 HD2 PRO 43 1HD PRO 43 7.793 11.305 -1.766 301 HD3 PRO 43 2HD PRO 43 7.677 12.381 -3.174 302 H THR 44 H THR 44 8.837 8.825 -2.212 303 HA THR 44 HA THR 44 10.045 6.414 -2.642 304 HB THR 44 HB THR 44 8.202 7.052 -0.329 305 HG1 THR 44 1HG THR 44 9.856 8.138 0.501 306 HG21 THR 44 1HG2 THR 44 10.508 5.108 -0.468 307 HG22 THR 44 2HG2 THR 44 8.807 4.651 -0.557 308 HG23 THR 44 3HG2 THR 44 9.444 5.395 0.908 309 H TRP 45 H TRP 45 6.568 6.899 -2.025 310 HA TRP 45 HA TRP 45 5.717 4.284 -2.164 311 HB2 TRP 45 1HB TRP 45 4.340 6.353 -1.629 312 HB3 TRP 45 2HB TRP 45 4.179 6.586 -3.368 313 HD1 TRP 45 HD TRP 45 1.925 5.729 -4.191 314 HE1 TRP 45 1HE TRP 45 0.353 3.779 -3.600 315 HE3 TRP 45 3HE TRP 45 4.633 3.620 -0.402 316 HZ2 TRP 45 2HZ TRP 45 0.271 1.631 -1.771 317 HZ3 TRP 45 3HZ TRP 45 3.738 1.620 0.717 318 HH2 TRP 45 HH TRP 45 1.602 0.647 0.045 319 H GLU 46 H GLU 46 6.093 6.577 -4.856 320 HA GLU 46 HA GLU 46 5.189 4.980 -6.926 321 HB2 GLU 46 1HB GLU 46 7.241 7.165 -6.788 322 HB3 GLU 46 2HB GLU 46 6.961 6.309 -8.297 323 HG2 GLU 46 1HG GLU 46 4.681 7.011 -8.354 324 HG3 GLU 46 2HG GLU 46 4.797 7.691 -6.732 325 H GLU 47 H GLU 47 8.597 5.400 -5.949 326 HA GLU 47 HA GLU 47 9.838 3.619 -7.568 327 HB2 GLU 47 1HB GLU 47 10.328 4.133 -4.635 328 HB3 GLU 47 2HB GLU 47 11.406 3.163 -5.629 329 HG2 GLU 47 1HG GLU 47 10.699 5.896 -6.554 330 HG3 GLU 47 2HG GLU 47 11.843 5.718 -5.224 331 H LEU 48 H LEU 48 8.263 2.792 -4.485 332 HA LEU 48 HA LEU 48 8.772 0.128 -4.297 333 HB2 LEU 48 1HB LEU 48 7.311 1.667 -2.832 334 HB3 LEU 48 2HB LEU 48 5.986 1.147 -3.872 335 HG LEU 48 HG LEU 48 6.292 -1.150 -3.173 336 HD11 LEU 48 1HD1 LEU 48 8.794 -0.069 -2.056 337 HD12 LEU 48 2HD1 LEU 48 8.431 -1.670 -2.700 338 HD13 LEU 48 3HD1 LEU 48 7.950 -1.251 -1.055 339 HD21 LEU 48 1HD2 LEU 48 5.070 0.678 -1.749 340 HD22 LEU 48 2HD2 LEU 48 6.371 0.359 -0.602 341 HD23 LEU 48 3HD2 LEU 48 5.303 -0.949 -1.110 342 H SER 49 H SER 49 6.153 1.594 -6.206 343 HA SER 49 HA SER 49 4.958 -0.681 -7.194 344 HB2 SER 49 1HB SER 49 4.019 0.667 -8.890 345 HB3 SER 49 2HB SER 49 4.312 1.782 -7.556 346 HG SER 49 HG SER 49 5.449 2.875 -8.931 347 H LYS 50 H LYS 50 7.893 0.920 -8.309 348 HA LYS 50 HA LYS 50 8.234 -0.717 -10.619 349 HB2 LYS 50 1HB LYS 50 10.188 1.013 -9.093 350 HB3 LYS 50 2HB LYS 50 10.547 0.230 -10.626 351 HG2 LYS 50 1HG LYS 50 9.002 1.566 -11.791 352 HG3 LYS 50 2HG LYS 50 8.247 2.131 -10.299 353 HD2 LYS 50 1HD LYS 50 10.499 3.168 -9.733 354 HD3 LYS 50 2HD LYS 50 10.951 2.846 -11.409 355 HE2 LYS 50 1HE LYS 50 9.134 4.219 -12.206 356 HE3 LYS 50 2HE LYS 50 8.543 4.451 -10.562 357 HZ1 LYS 50 1HZ LYS 50 9.895 6.170 -10.331 358 HZ2 LYS 50 2HZ LYS 50 10.400 5.997 -11.936 359 HZ3 LYS 50 3HZ LYS 50 11.246 5.219 -10.695 360 H LYS 51 H LYS 51 9.599 -0.748 -7.347 361 HA LYS 51 HA LYS 51 11.495 -2.685 -7.498 362 HB2 LYS 51 1HB LYS 51 9.404 -2.386 -5.333 363 HB3 LYS 51 2HB LYS 51 10.889 -3.315 -5.172 364 HG2 LYS 51 1HG LYS 51 10.848 -0.376 -5.802 365 HG3 LYS 51 2HG LYS 51 10.921 -1.019 -4.160 366 HD2 LYS 51 1HD LYS 51 12.898 -1.803 -6.288 367 HD3 LYS 51 2HD LYS 51 13.133 -0.393 -5.254 368 HE2 LYS 51 1HE LYS 51 12.974 -1.847 -3.274 369 HE3 LYS 51 2HE LYS 51 12.797 -3.246 -4.332 370 HZ1 LYS 51 1HZ LYS 51 15.066 -3.045 -3.604 371 HZ2 LYS 51 2HZ LYS 51 15.160 -1.453 -4.169 372 HZ3 LYS 51 3HZ LYS 51 14.991 -2.731 -5.265 373 H GLU 52 H GLU 52 11.491 -4.985 -7.024 374 HA GLU 52 HA GLU 52 9.030 -6.333 -7.921 375 HB2 GLU 52 1HB GLU 52 11.741 -7.481 -8.471 376 HB3 GLU 52 2HB GLU 52 10.220 -7.785 -9.297 377 HG2 GLU 52 1HG GLU 52 11.419 -5.064 -9.423 378 HG3 GLU 52 2HG GLU 52 12.091 -6.353 -10.419 379 H PHE 53 H PHE 53 8.434 -8.185 -6.867 380 HA PHE 53 HA PHE 53 9.994 -8.839 -4.459 381 HB2 PHE 53 1HB PHE 53 7.088 -9.509 -4.900 382 HB3 PHE 53 2HB PHE 53 7.978 -9.469 -3.381 383 HD1 PHE 53 1HD PHE 53 6.692 -7.325 -6.116 384 HD2 PHE 53 2HD PHE 53 8.038 -7.531 -2.083 385 HE1 PHE 53 1HE PHE 53 5.957 -5.005 -5.756 386 HE2 PHE 53 2HE PHE 53 7.304 -5.211 -1.716 387 HZ PHE 53 HZ PHE 53 6.260 -3.945 -3.554 388 HA PRO 54 HA PRO 54 10.622 -12.564 -7.015 389 HB2 PRO 54 1HB PRO 54 12.951 -13.251 -5.799 390 HB3 PRO 54 2HB PRO 54 12.862 -12.062 -7.104 391 HG2 PRO 54 1HG PRO 54 13.016 -11.621 -4.147 392 HG3 PRO 54 2HG PRO 54 13.870 -10.775 -5.450 393 HD2 PRO 54 1HD PRO 54 11.681 -9.744 -4.235 394 HD3 PRO 54 2HD PRO 54 12.058 -9.439 -5.943 395 H GLY 55 H GLY 55 9.429 -14.272 -6.454 396 HA2 GLY 55 1HA GLY 55 9.200 -16.300 -5.218 397 HA3 GLY 55 2HA GLY 55 9.879 -15.486 -3.816 398 H LEU 56 H LEU 56 8.172 -13.127 -4.148 399 HA LEU 56 HA LEU 56 5.865 -14.155 -2.744 400 HB2 LEU 56 1HB LEU 56 6.385 -11.300 -3.530 401 HB3 LEU 56 2HB LEU 56 5.355 -11.896 -2.231 402 HG LEU 56 HG LEU 56 8.369 -11.918 -2.311 403 HD11 LEU 56 1HD1 LEU 56 8.299 -10.038 -1.127 404 HD12 LEU 56 2HD1 LEU 56 7.056 -10.673 -0.050 405 HD13 LEU 56 3HD1 LEU 56 6.599 -9.921 -1.578 406 HD21 LEU 56 1HD2 LEU 56 8.092 -13.794 -1.082 407 HD22 LEU 56 2HD2 LEU 56 6.427 -13.401 -0.652 408 HD23 LEU 56 3HD2 LEU 56 7.765 -12.629 0.202 409 H ALA 57 H ALA 57 3.679 -13.702 -3.323 410 HA ALA 57 HA ALA 57 3.060 -14.235 -6.012 411 HB1 ALA 57 1HB ALA 57 1.398 -13.326 -3.683 412 HB2 ALA 57 2HB ALA 57 0.702 -13.596 -5.281 413 HB3 ALA 57 3HB ALA 57 1.481 -14.925 -4.422 414 H GLY 58 H GLY 58 1.909 -12.922 -7.544 415 HA2 GLY 58 1HA GLY 58 3.031 -10.601 -8.317 416 HA3 GLY 58 2HA GLY 58 1.334 -10.945 -8.611 417 H VAL 59 H VAL 59 3.617 -9.195 -6.670 418 HA VAL 59 HA VAL 59 1.659 -8.108 -4.866 419 HB VAL 59 HB VAL 59 4.556 -7.494 -5.384 420 HG11 VAL 59 1HG1 VAL 59 2.613 -5.982 -3.658 421 HG12 VAL 59 2HG1 VAL 59 4.358 -5.938 -3.399 422 HG13 VAL 59 3HG1 VAL 59 3.675 -5.352 -4.916 423 HG21 VAL 59 1HG2 VAL 59 3.025 -9.099 -3.501 424 HG22 VAL 59 2HG2 VAL 59 4.738 -9.172 -3.918 425 HG23 VAL 59 3HG2 VAL 59 4.173 -8.019 -2.709 426 H LYS 60 H LYS 60 0.636 -6.168 -4.952 427 HA LYS 60 HA LYS 60 1.066 -4.544 -7.375 428 HB2 LYS 60 1HB LYS 60 -1.465 -5.278 -5.925 429 HB3 LYS 60 2HB LYS 60 -1.390 -3.867 -6.974 430 HG2 LYS 60 1HG LYS 60 -1.142 -5.133 -8.883 431 HG3 LYS 60 2HG LYS 60 -0.505 -6.525 -8.005 432 HD2 LYS 60 1HD LYS 60 -3.319 -5.590 -7.569 433 HD3 LYS 60 2HD LYS 60 -2.916 -6.629 -8.937 434 HE2 LYS 60 1HE LYS 60 -1.984 -7.399 -6.212 435 HE3 LYS 60 2HE LYS 60 -3.678 -7.648 -6.635 436 HZ1 LYS 60 1HZ LYS 60 -1.322 -9.051 -7.549 437 HZ2 LYS 60 2HZ LYS 60 -2.420 -8.662 -8.775 438 HZ3 LYS 60 3HZ LYS 60 -2.927 -9.579 -7.447 439 H ILE 61 H ILE 61 0.885 -2.282 -7.183 440 HA ILE 61 HA ILE 61 0.946 -1.253 -4.424 441 HB ILE 61 HB ILE 61 2.713 -0.388 -6.715 442 HG12 ILE 61 1HG1 ILE 61 3.450 -2.460 -5.638 443 HG13 ILE 61 2HG1 ILE 61 4.548 -1.138 -5.254 444 HG21 ILE 61 1HG2 ILE 61 1.999 0.897 -4.150 445 HG22 ILE 61 2HG2 ILE 61 3.702 0.927 -4.604 446 HG23 ILE 61 3HG2 ILE 61 2.490 1.616 -5.684 447 HD11 ILE 61 1HD1 ILE 61 3.090 -0.904 -3.120 448 HD12 ILE 61 2HD1 ILE 61 2.608 -2.560 -3.497 449 HD13 ILE 61 3HD1 ILE 61 4.307 -2.176 -3.223 450 H ALA 62 H ALA 62 -0.830 -0.072 -4.166 451 HA ALA 62 HA ALA 62 -1.584 1.798 -6.316 452 HB1 ALA 62 1HB ALA 62 -3.569 0.818 -6.445 453 HB2 ALA 62 2HB ALA 62 -3.139 -0.293 -5.145 454 HB3 ALA 62 3HB ALA 62 -3.874 1.265 -4.766 455 H GLU 63 H GLU 63 -3.050 3.591 -5.426 456 HA GLU 63 HA GLU 63 -2.173 4.399 -2.737 457 HB2 GLU 63 1HB GLU 63 -0.804 5.814 -3.900 458 HB3 GLU 63 2HB GLU 63 -1.844 5.831 -5.316 459 HG2 GLU 63 1HG GLU 63 -3.422 7.284 -4.088 460 HG3 GLU 63 2HG GLU 63 -2.281 7.333 -2.746 461 H VAL 64 H VAL 64 -3.590 5.795 -1.610 462 HA VAL 64 HA VAL 64 -6.202 6.323 -2.803 463 HB VAL 64 HB VAL 64 -5.826 4.697 -0.287 464 HG11 VAL 64 1HG1 VAL 64 -8.418 4.716 -0.403 465 HG12 VAL 64 2HG1 VAL 64 -7.575 6.089 0.315 466 HG13 VAL 64 3HG1 VAL 64 -8.191 6.198 -1.333 467 HG21 VAL 64 1HG2 VAL 64 -5.781 3.161 -1.995 468 HG22 VAL 64 2HG2 VAL 64 -7.514 3.246 -1.676 469 HG23 VAL 64 3HG2 VAL 64 -6.825 4.128 -3.039 470 H ASP 65 H ASP 65 -7.103 8.180 -2.100 471 HA ASP 65 HA ASP 65 -5.614 9.699 -0.086 472 HB2 ASP 65 1HB ASP 65 -6.101 10.622 -2.419 473 HB3 ASP 65 2HB ASP 65 -7.776 10.769 -1.894 474 H CYS 66 H CYS 66 -6.554 10.546 1.733 475 HA CYS 66 HA CYS 66 -8.956 9.227 2.643 476 HB2 CYS 66 1HB CYS 66 -6.992 11.116 3.931 477 HB3 CYS 66 2HB CYS 66 -8.478 10.631 4.741 478 H THR 67 H THR 67 -8.007 12.409 1.552 479 HA THR 67 HA THR 67 -10.378 13.743 2.433 480 HB THR 67 HB THR 67 -9.634 15.596 0.969 481 HG1 THR 67 1HG THR 67 -8.662 14.474 -0.715 482 HG21 THR 67 1HG2 THR 67 -7.747 14.314 2.906 483 HG22 THR 67 2HG2 THR 67 -8.698 15.788 3.079 484 HG23 THR 67 3HG2 THR 67 -7.266 15.778 2.051 485 H ALA 68 H ALA 68 -9.742 11.591 -0.078 486 HA ALA 68 HA ALA 68 -12.066 12.558 -1.612 487 HB1 ALA 68 1HB ALA 68 -10.289 10.591 -2.887 488 HB2 ALA 68 2HB ALA 68 -11.046 12.039 -3.551 489 HB3 ALA 68 3HB ALA 68 -9.577 12.176 -2.585 490 H GLU 69 H GLU 69 -10.488 9.729 -0.219 491 HA GLU 69 HA GLU 69 -13.010 8.240 -0.559 492 HB2 GLU 69 1HB GLU 69 -10.174 7.200 -0.474 493 HB3 GLU 69 2HB GLU 69 -11.601 6.174 -0.440 494 HG2 GLU 69 1HG GLU 69 -12.105 6.558 -2.635 495 HG3 GLU 69 2HG GLU 69 -11.316 8.134 -2.655 496 H ARG 70 H ARG 70 -13.598 9.360 1.474 497 HA ARG 70 HA ARG 70 -12.233 8.898 3.895 498 HB2 ARG 70 1HB ARG 70 -15.170 9.468 3.461 499 HB3 ARG 70 2HB ARG 70 -14.305 9.632 4.983 500 HG2 ARG 70 1HG ARG 70 -14.293 11.798 4.290 501 HG3 ARG 70 2HG ARG 70 -12.786 11.242 3.557 502 HD2 ARG 70 1HD ARG 70 -13.649 11.259 1.439 503 HD3 ARG 70 2HD ARG 70 -15.297 10.958 1.991 504 HE ARG 70 HE ARG 70 -14.336 13.527 2.787 505 HH11 ARG 70 2HH1 ARG 70 -15.709 11.731 0.139 506 HH12 ARG 70 1HH1 ARG 70 -16.408 13.126 -0.615 507 HH21 ARG 70 2HH2 ARG 70 -15.253 15.370 1.803 508 HH22 ARG 70 1HH2 ARG 70 -16.148 15.195 0.332 509 H ASN 71 H ASN 71 -15.231 7.396 2.669 510 HA ASN 71 HA ASN 71 -15.854 5.577 4.508 511 HB2 ASN 71 1HB ASN 71 -15.812 5.423 1.536 512 HB3 ASN 71 2HB ASN 71 -16.101 3.924 2.415 513 HD21 ASN 71 1HD2 ASN 71 -17.584 6.420 0.958 514 HD22 ASN 71 2HD2 ASN 71 -19.084 6.427 1.814 515 H ILE 72 H ILE 72 -13.286 5.007 2.103 516 HA ILE 72 HA ILE 72 -12.450 2.528 3.128 517 HB ILE 72 HB ILE 72 -10.751 4.541 1.652 518 HG12 ILE 72 1HG1 ILE 72 -12.547 2.348 0.594 519 HG13 ILE 72 2HG1 ILE 72 -12.808 4.079 0.418 520 HG21 ILE 72 1HG2 ILE 72 -9.195 2.922 1.343 521 HG22 ILE 72 2HG2 ILE 72 -9.862 2.338 2.867 522 HG23 ILE 72 3HG2 ILE 72 -10.386 1.622 1.343 523 HD11 ILE 72 1HD1 ILE 72 -10.513 2.523 -0.749 524 HD12 ILE 72 2HD1 ILE 72 -11.938 3.089 -1.624 525 HD13 ILE 72 3HD1 ILE 72 -10.801 4.253 -0.943 526 H CYS 73 H CYS 73 -10.741 5.651 3.399 527 HA CYS 73 HA CYS 73 -8.849 4.923 5.253 528 HB2 CYS 73 1HB CYS 73 -10.202 7.515 4.622 529 HB3 CYS 73 2HB CYS 73 -9.132 7.431 6.018 530 H SER 74 H SER 74 -11.867 6.644 6.076 531 HA SER 74 HA SER 74 -11.755 6.525 8.794 532 HB2 SER 74 1HB SER 74 -13.581 7.522 7.260 533 HB3 SER 74 2HB SER 74 -14.345 5.936 7.374 534 HG SER 74 HG SER 74 -14.765 7.789 9.016 535 H LYS 75 H LYS 75 -12.884 3.969 6.620 536 HA LYS 75 HA LYS 75 -13.748 2.157 8.574 537 HB2 LYS 75 1HB LYS 75 -14.363 1.795 6.290 538 HB3 LYS 75 2HB LYS 75 -12.680 1.731 5.783 539 HG2 LYS 75 1HG LYS 75 -12.635 -0.298 7.486 540 HG3 LYS 75 2HG LYS 75 -14.354 -0.338 7.087 541 HD2 LYS 75 1HD LYS 75 -12.381 -0.123 4.865 542 HD3 LYS 75 2HD LYS 75 -12.580 -1.683 5.667 543 HE2 LYS 75 1HE LYS 75 -14.933 -0.114 4.659 544 HE3 LYS 75 2HE LYS 75 -14.025 -1.196 3.605 545 HZ1 LYS 75 1HZ LYS 75 -16.011 -1.836 5.503 546 HZ2 LYS 75 2HZ LYS 75 -14.567 -2.607 5.931 547 HZ3 LYS 75 3HZ LYS 75 -15.235 -2.855 4.396 548 H TYR 76 H TYR 76 -10.564 2.890 7.333 549 HA TYR 76 HA TYR 76 -9.391 0.662 8.819 550 HB2 TYR 76 1HB TYR 76 -8.230 2.623 6.837 551 HB3 TYR 76 2HB TYR 76 -7.255 1.451 7.717 552 HD1 TYR 76 1HD TYR 76 -8.076 -1.047 7.515 553 HD2 TYR 76 2HD TYR 76 -9.056 2.042 4.758 554 HE1 TYR 76 1HE TYR 76 -8.557 -2.741 5.799 555 HE2 TYR 76 2HE TYR 76 -9.539 0.356 3.033 556 HH TYR 76 HH TYR 76 -8.522 -2.591 3.007 557 H SER 77 H SER 77 -10.596 3.056 10.099 558 HA SER 77 HA SER 77 -10.064 4.760 11.572 559 HB2 SER 77 1HB SER 77 -8.450 2.409 12.588 560 HB3 SER 77 2HB SER 77 -8.843 3.840 13.540 561 HG SER 77 HG SER 77 -10.305 1.683 13.229 562 H VAL 78 H VAL 78 -8.602 5.272 9.354 563 HA VAL 78 HA VAL 78 -5.796 5.462 9.903 564 HB VAL 78 HB VAL 78 -7.429 6.843 7.769 565 HG11 VAL 78 1HG1 VAL 78 -5.577 7.938 7.225 566 HG12 VAL 78 2HG1 VAL 78 -4.724 7.188 8.575 567 HG13 VAL 78 3HG1 VAL 78 -4.738 6.404 6.995 568 HG21 VAL 78 1HG2 VAL 78 -5.654 4.518 7.226 569 HG22 VAL 78 2HG2 VAL 78 -7.235 4.217 7.947 570 HG23 VAL 78 3HG2 VAL 78 -7.118 5.041 6.393 571 H ARG 79 H ARG 79 -5.244 6.716 11.598 572 HA ARG 79 HA ARG 79 -6.356 9.440 11.716 573 HB2 ARG 79 1HB ARG 79 -5.361 7.554 13.819 574 HB3 ARG 79 2HB ARG 79 -5.294 9.287 14.109 575 HG2 ARG 79 1HG ARG 79 -7.630 9.505 13.999 576 HG3 ARG 79 2HG ARG 79 -7.824 7.906 13.277 577 HD2 ARG 79 1HD ARG 79 -6.750 7.053 15.472 578 HD3 ARG 79 2HD ARG 79 -7.181 8.640 16.109 579 HE ARG 79 HE ARG 79 -9.481 7.706 14.969 580 HH11 ARG 79 2HH1 ARG 79 -7.276 6.538 17.396 581 HH12 ARG 79 1HH1 ARG 79 -8.493 5.668 18.270 582 HH21 ARG 79 2HH2 ARG 79 -11.093 6.565 16.110 583 HH22 ARG 79 1HH2 ARG 79 -10.663 5.683 17.537 584 H GLY 80 H GLY 80 -3.381 7.545 11.814 585 HA2 GLY 80 1HA GLY 80 -1.823 10.042 11.680 586 HA3 GLY 80 2HA GLY 80 -1.190 8.476 12.168 587 H TYR 81 H TYR 81 -1.075 10.677 9.781 588 HA TYR 81 HA TYR 81 -0.682 8.648 7.681 589 HB2 TYR 81 1HB TYR 81 -0.950 11.534 6.989 590 HB3 TYR 81 2HB TYR 81 -1.460 10.111 6.087 591 HD1 TYR 81 2HD TYR 81 -2.277 12.036 9.178 592 HD2 TYR 81 1HD TYR 81 -3.709 9.538 6.045 593 HE1 TYR 81 2HE TYR 81 -4.579 12.364 9.977 594 HE2 TYR 81 1HE TYR 81 -6.017 9.860 6.835 595 HH TYR 81 HH TYR 81 -6.853 12.234 9.144 596 HA PRO 82 HA PRO 82 0.071 9.018 5.455 597 HB2 PRO 82 1HB PRO 82 2.010 7.414 4.436 598 HB3 PRO 82 2HB PRO 82 1.859 9.125 4.016 599 HG2 PRO 82 1HG PRO 82 3.692 7.814 5.987 600 HG3 PRO 82 2HG PRO 82 4.043 9.095 4.812 601 HD2 PRO 82 1HD PRO 82 3.611 9.604 7.437 602 HD3 PRO 82 2HD PRO 82 3.154 10.743 6.154 603 H THR 83 H THR 83 -0.642 6.834 5.034 604 HA THR 83 HA THR 83 -0.079 4.966 7.243 605 HB THR 83 HB THR 83 -2.753 5.059 5.877 606 HG1 THR 83 1HG THR 83 -2.340 6.362 8.339 607 HG21 THR 83 1HG2 THR 83 -1.831 3.185 7.464 608 HG22 THR 83 2HG2 THR 83 -3.493 3.753 7.631 609 HG23 THR 83 3HG2 THR 83 -2.245 4.339 8.732 610 H LEU 84 H LEU 84 0.321 2.884 6.712 611 HA LEU 84 HA LEU 84 -0.115 2.057 3.924 612 HB2 LEU 84 1HB LEU 84 2.297 1.091 5.371 613 HB3 LEU 84 2HB LEU 84 2.025 1.287 3.641 614 HG LEU 84 HG LEU 84 2.516 3.540 5.588 615 HD11 LEU 84 1HD1 LEU 84 4.683 3.700 4.289 616 HD12 LEU 84 2HD1 LEU 84 4.329 2.081 3.687 617 HD13 LEU 84 3HD1 LEU 84 4.543 2.351 5.416 618 HD21 LEU 84 1HD2 LEU 84 1.311 3.569 3.076 619 HD22 LEU 84 2HD2 LEU 84 2.973 4.089 2.792 620 HD23 LEU 84 3HD2 LEU 84 1.967 4.949 3.958 621 H LEU 85 H LEU 85 -1.215 0.220 3.772 622 HA LEU 85 HA LEU 85 -1.029 -1.733 5.961 623 HB2 LEU 85 1HB LEU 85 -3.552 -0.837 4.576 624 HB3 LEU 85 2HB LEU 85 -3.444 -2.179 5.714 625 HG LEU 85 HG LEU 85 -2.719 0.634 6.492 626 HD11 LEU 85 1HD1 LEU 85 -5.198 0.090 7.587 627 HD12 LEU 85 2HD1 LEU 85 -5.343 -0.454 5.916 628 HD13 LEU 85 3HD1 LEU 85 -4.856 1.205 6.265 629 HD21 LEU 85 1HD2 LEU 85 -1.901 -0.985 8.020 630 HD22 LEU 85 2HD2 LEU 85 -3.418 -1.884 7.988 631 HD23 LEU 85 3HD2 LEU 85 -3.352 -0.292 8.746 632 H LEU 86 H LEU 86 -1.126 -3.879 5.368 633 HA LEU 86 HA LEU 86 -0.899 -4.383 2.484 634 HB2 LEU 86 1HB LEU 86 1.013 -5.012 3.904 635 HB3 LEU 86 2HB LEU 86 -0.039 -6.099 4.809 636 HG LEU 86 HG LEU 86 -0.409 -7.328 2.615 637 HD11 LEU 86 1HD1 LEU 86 1.933 -5.603 1.830 638 HD12 LEU 86 2HD1 LEU 86 0.348 -5.670 1.061 639 HD13 LEU 86 3HD1 LEU 86 1.432 -7.058 0.967 640 HD21 LEU 86 1HD2 LEU 86 1.565 -8.650 2.891 641 HD22 LEU 86 2HD2 LEU 86 1.055 -8.090 4.484 642 HD23 LEU 86 3HD2 LEU 86 2.413 -7.314 3.668 643 H PHE 87 H PHE 87 -2.040 -6.051 1.494 644 HA PHE 87 HA PHE 87 -4.106 -7.392 3.086 645 HB2 PHE 87 1HB PHE 87 -4.623 -5.924 0.491 646 HB3 PHE 87 2HB PHE 87 -5.796 -6.913 1.352 647 HD1 PHE 87 1HD PHE 87 -3.838 -3.799 1.471 648 HD2 PHE 87 2HD PHE 87 -6.970 -6.077 3.237 649 HE1 PHE 87 1HE PHE 87 -4.525 -1.833 2.782 650 HE2 PHE 87 2HE PHE 87 -7.662 -4.115 4.550 651 HZ PHE 87 HZ PHE 87 -6.439 -1.989 4.324 652 H ARG 88 H ARG 88 -3.841 -9.497 2.805 653 HA ARG 88 HA ARG 88 -2.956 -10.466 0.166 654 HB2 ARG 88 1HB ARG 88 -1.311 -10.848 1.965 655 HB3 ARG 88 2HB ARG 88 -2.522 -11.745 2.870 656 HG2 ARG 88 1HG ARG 88 -2.501 -13.527 1.363 657 HG3 ARG 88 2HG ARG 88 -1.717 -12.569 0.105 658 HD2 ARG 88 1HD ARG 88 0.003 -13.915 0.898 659 HD3 ARG 88 2HD ARG 88 0.245 -12.398 1.764 660 HE ARG 88 HE ARG 88 -1.314 -13.844 3.444 661 HH11 ARG 88 2HH1 ARG 88 1.696 -14.471 1.812 662 HH12 ARG 88 1HH1 ARG 88 2.296 -15.529 3.047 663 HH21 ARG 88 2HH2 ARG 88 -0.536 -15.235 5.077 664 HH22 ARG 88 1HH2 ARG 88 1.025 -15.963 4.902 665 H GLY 89 H GLY 89 -4.643 -11.263 -0.911 666 HA2 GLY 89 1HA GLY 89 -6.246 -12.909 -1.360 667 HA3 GLY 89 2HA GLY 89 -6.256 -13.333 0.345 668 H GLY 90 H GLY 90 -6.490 -10.018 0.034 669 HA2 GLY 90 1HA GLY 90 -8.460 -8.691 -0.425 670 HA3 GLY 90 2HA GLY 90 -9.437 -10.102 -0.045 671 H LYS 91 H LYS 91 -7.249 -10.341 2.246 672 HA LYS 91 HA LYS 91 -8.695 -8.553 4.090 673 HB2 LYS 91 1HB LYS 91 -7.787 -11.380 4.343 674 HB3 LYS 91 2HB LYS 91 -7.743 -10.374 5.785 675 HG2 LYS 91 1HG LYS 91 -10.234 -10.414 4.163 676 HG3 LYS 91 2HG LYS 91 -9.857 -11.810 5.176 677 HD2 LYS 91 1HD LYS 91 -11.054 -10.539 6.661 678 HD3 LYS 91 2HD LYS 91 -9.422 -9.952 6.992 679 HE2 LYS 91 1HE LYS 91 -9.770 -7.972 5.792 680 HE3 LYS 91 2HE LYS 91 -11.182 -8.621 4.959 681 HZ1 LYS 91 1HZ LYS 91 -12.523 -8.029 6.623 682 HZ2 LYS 91 2HZ LYS 91 -11.263 -7.018 7.125 683 HZ3 LYS 91 3HZ LYS 91 -11.449 -8.547 7.825 684 H LYS 92 H LYS 92 -7.506 -7.604 5.811 685 HA LYS 92 HA LYS 92 -4.978 -6.615 5.078 686 HB2 LYS 92 1HB LYS 92 -5.048 -5.363 7.034 687 HB3 LYS 92 2HB LYS 92 -6.752 -5.646 6.707 688 HG2 LYS 92 1HG LYS 92 -6.765 -7.472 8.326 689 HG3 LYS 92 2HG LYS 92 -5.053 -7.195 8.652 690 HD2 LYS 92 1HD LYS 92 -6.381 -6.141 10.373 691 HD3 LYS 92 2HD LYS 92 -5.604 -4.899 9.389 692 HE2 LYS 92 1HE LYS 92 -7.623 -4.416 8.247 693 HE3 LYS 92 2HE LYS 92 -8.413 -5.855 8.891 694 HZ1 LYS 92 1HZ LYS 92 -7.429 -3.990 10.878 695 HZ2 LYS 92 2HZ LYS 92 -8.895 -4.832 10.813 696 HZ3 LYS 92 3HZ LYS 92 -8.697 -3.409 9.920 697 H VAL 93 H VAL 93 -2.934 -6.890 6.152 698 HA VAL 93 HA VAL 93 -2.611 -9.549 7.387 699 HB VAL 93 HB VAL 93 -0.624 -8.179 5.569 700 HG11 VAL 93 1HG1 VAL 93 -0.339 -10.265 7.475 701 HG12 VAL 93 2HG1 VAL 93 -0.165 -10.963 5.864 702 HG13 VAL 93 3HG1 VAL 93 0.865 -9.620 6.360 703 HG21 VAL 93 1HG2 VAL 93 -2.201 -8.854 4.051 704 HG22 VAL 93 2HG2 VAL 93 -1.241 -10.330 4.179 705 HG23 VAL 93 3HG2 VAL 93 -2.762 -10.187 5.060 706 H SER 94 H SER 94 -1.110 -6.341 7.032 707 HA SER 94 HA SER 94 -0.761 -5.977 9.807 708 HB2 SER 94 1HB SER 94 0.994 -7.759 9.292 709 HB3 SER 94 2HB SER 94 1.842 -6.513 8.376 710 HG SER 94 HG SER 94 2.009 -5.299 10.267 711 H GLU 95 H GLU 95 0.151 -3.937 10.327 712 HA GLU 95 HA GLU 95 0.089 -2.073 8.077 713 HB2 GLU 95 1HB GLU 95 -1.362 -1.477 9.892 714 HB3 GLU 95 2HB GLU 95 -0.064 -1.662 11.063 715 HG2 GLU 95 1HG GLU 95 1.030 0.286 10.310 716 HG3 GLU 95 2HG GLU 95 0.027 0.378 8.863 717 H HIS 96 H HIS 96 1.778 -0.790 7.491 718 HA HIS 96 HA HIS 96 4.376 -1.470 8.665 719 HB2 HIS 96 1HB HIS 96 3.950 -1.683 6.172 720 HB3 HIS 96 2HB HIS 96 3.879 0.076 6.120 721 HD1 HIS 96 1HD HIS 96 6.297 0.388 8.226 722 HD2 HIS 96 2HD HIS 96 6.308 -1.793 4.690 723 HE1 HIS 96 1HE HIS 96 8.715 0.200 7.560 724 HE2 HIS 96 2HE HIS 96 8.690 -1.049 5.373 725 H SER 97 H SER 97 4.878 -0.167 10.314 726 HA SER 97 HA SER 97 4.762 2.732 9.846 727 HB2 SER 97 1HB SER 97 2.910 1.743 11.406 728 HB3 SER 97 2HB SER 97 4.216 1.629 12.586 729 HG SER 97 HG SER 97 3.917 4.042 11.222 730 H GLY 98 H GLY 98 7.051 1.946 9.268 731 HA2 GLY 98 1HA GLY 98 8.705 2.047 11.716 732 HA3 GLY 98 2HA GLY 98 9.148 1.092 10.310 733 H GLY 99 H GLY 99 10.801 1.978 9.275 734 HA2 GLY 99 1HA GLY 99 11.513 4.720 9.550 735 HA3 GLY 99 2HA GLY 99 12.254 3.563 8.454 736 H ARG 100 H ARG 100 9.323 3.120 7.488 737 HA ARG 100 HA ARG 100 8.158 3.743 5.631 738 HB2 ARG 100 1HB ARG 100 8.653 6.382 6.993 739 HB3 ARG 100 2HB ARG 100 7.708 6.271 5.514 740 HG2 ARG 100 1HG ARG 100 7.050 4.647 7.949 741 HG3 ARG 100 2HG ARG 100 6.438 6.285 7.712 742 HD2 ARG 100 1HD ARG 100 5.268 5.657 5.748 743 HD3 ARG 100 2HD ARG 100 6.088 4.098 5.676 744 HE ARG 100 HE ARG 100 4.515 3.272 7.104 745 HH11 ARG 100 2HH1 ARG 100 4.549 6.742 7.378 746 HH12 ARG 100 1HH1 ARG 100 3.187 6.802 8.447 747 HH21 ARG 100 2HH2 ARG 100 2.721 3.337 8.512 748 HH22 ARG 100 1HH2 ARG 100 2.149 4.865 9.092 749 H ASP 101 H ASP 101 10.807 3.194 5.081 750 HA ASP 101 HA ASP 101 11.572 5.268 3.138 751 HB2 ASP 101 1HB ASP 101 13.307 3.028 4.190 752 HB3 ASP 101 2HB ASP 101 13.822 4.423 3.247 753 H LEU 102 H LEU 102 12.434 4.530 1.071 754 HA LEU 102 HA LEU 102 10.723 2.863 -0.314 755 HB2 LEU 102 1HB LEU 102 12.057 4.388 -1.528 756 HB3 LEU 102 2HB LEU 102 13.550 3.715 -0.875 757 HG LEU 102 HG LEU 102 13.269 1.714 -2.216 758 HD11 LEU 102 1HD1 LEU 102 11.386 1.957 -4.032 759 HD12 LEU 102 2HD1 LEU 102 10.610 2.926 -2.779 760 HD13 LEU 102 3HD1 LEU 102 11.043 1.248 -2.455 761 HD21 LEU 102 1HD2 LEU 102 14.099 2.650 -4.092 762 HD22 LEU 102 2HD2 LEU 102 14.050 4.125 -3.127 763 HD23 LEU 102 3HD2 LEU 102 12.747 3.769 -4.262 764 H ASP 103 H ASP 103 14.007 2.087 0.834 765 HA ASP 103 HA ASP 103 13.924 -0.626 0.049 766 HB2 ASP 103 1HB ASP 103 15.979 0.777 0.624 767 HB3 ASP 103 2HB ASP 103 15.590 0.467 2.313 768 H SER 104 H SER 104 13.374 0.946 3.190 769 HA SER 104 HA SER 104 12.882 -1.370 4.677 770 HB2 SER 104 1HB SER 104 12.139 1.514 4.991 771 HB3 SER 104 2HB SER 104 11.416 0.320 6.069 772 HG SER 104 HG SER 104 13.230 0.245 7.107 773 H LEU 105 H LEU 105 10.839 0.450 2.514 774 HA LEU 105 HA LEU 105 8.372 -0.720 3.340 775 HB2 LEU 105 1HB LEU 105 9.245 0.820 0.918 776 HB3 LEU 105 2HB LEU 105 7.627 0.131 1.035 777 HG LEU 105 HG LEU 105 8.697 2.019 3.114 778 HD11 LEU 105 1HD1 LEU 105 7.208 2.727 0.590 779 HD12 LEU 105 2HD1 LEU 105 8.875 3.155 0.972 780 HD13 LEU 105 3HD1 LEU 105 7.552 3.826 1.925 781 HD21 LEU 105 1HD2 LEU 105 6.482 2.239 3.789 782 HD22 LEU 105 2HD2 LEU 105 6.622 0.521 3.415 783 HD23 LEU 105 3HD2 LEU 105 5.852 1.614 2.264 784 H HIS 106 H HIS 106 10.874 -1.586 1.070 785 HA HIS 106 HA HIS 106 9.310 -3.598 -0.264 786 HB2 HIS 106 1HB HIS 106 11.254 -2.331 -1.289 787 HB3 HIS 106 2HB HIS 106 12.317 -3.320 -0.293 788 HD1 HIS 106 1HD HIS 106 13.260 -5.192 -1.582 789 HD2 HIS 106 2HD HIS 106 9.411 -4.258 -2.836 790 HE1 HIS 106 1HE HIS 106 12.749 -6.806 -3.442 791 HE2 HIS 106 2HE HIS 106 10.448 -6.165 -4.241 792 H ARG 107 H ARG 107 12.122 -3.698 1.930 793 HA ARG 107 HA ARG 107 12.271 -6.441 2.264 794 HB2 ARG 107 1HB ARG 107 13.520 -6.014 4.271 795 HB3 ARG 107 2HB ARG 107 13.929 -4.772 3.095 796 HG2 ARG 107 1HG ARG 107 13.658 -3.467 4.930 797 HG3 ARG 107 2HG ARG 107 11.995 -3.469 4.341 798 HD2 ARG 107 1HD ARG 107 11.669 -3.984 6.554 799 HD3 ARG 107 2HD ARG 107 11.786 -5.597 5.852 800 HE ARG 107 HE ARG 107 14.348 -4.945 6.570 801 HH11 ARG 107 2HH1 ARG 107 11.286 -5.188 8.208 802 HH12 ARG 107 1HH1 ARG 107 11.987 -5.634 9.729 803 HH21 ARG 107 2HH2 ARG 107 15.284 -5.530 8.566 804 HH22 ARG 107 1HH2 ARG 107 14.261 -5.827 9.932 805 H PHE 108 H PHE 108 9.829 -4.310 3.295 806 HA PHE 108 HA PHE 108 8.929 -5.753 5.582 807 HB2 PHE 108 1HB PHE 108 8.316 -3.442 5.390 808 HB3 PHE 108 2HB PHE 108 7.584 -3.709 3.811 809 HD1 PHE 108 2HD PHE 108 5.460 -4.971 3.636 810 HD2 PHE 108 1HD PHE 108 7.119 -3.841 7.390 811 HE1 PHE 108 2HE PHE 108 3.281 -5.358 4.711 812 HE2 PHE 108 1HE PHE 108 4.943 -4.227 8.471 813 HZ PHE 108 HZ PHE 108 3.020 -4.984 7.131 814 H VAL 109 H VAL 109 7.498 -5.407 2.330 815 HA VAL 109 HA VAL 109 5.546 -7.373 2.606 816 HB VAL 109 HB VAL 109 6.979 -6.603 0.060 817 HG11 VAL 109 1HG1 VAL 109 5.228 -8.660 0.425 818 HG12 VAL 109 2HG1 VAL 109 4.147 -7.343 -0.036 819 HG13 VAL 109 3HG1 VAL 109 5.479 -7.804 -1.096 820 HG21 VAL 109 1HG2 VAL 109 6.089 -4.647 1.215 821 HG22 VAL 109 2HG2 VAL 109 5.167 -4.987 -0.250 822 HG23 VAL 109 3HG2 VAL 109 4.508 -5.422 1.327 823 H LEU 110 H LEU 110 8.933 -7.637 1.727 824 HA LEU 110 HA LEU 110 8.895 -10.281 0.766 825 HB2 LEU 110 1HB LEU 110 11.074 -8.654 2.055 826 HB3 LEU 110 2HB LEU 110 11.336 -10.257 1.374 827 HG LEU 110 HG LEU 110 10.269 -7.973 -0.265 828 HD11 LEU 110 1HD1 LEU 110 13.002 -8.514 -0.838 829 HD12 LEU 110 2HD1 LEU 110 12.848 -8.157 0.883 830 HD13 LEU 110 3HD1 LEU 110 12.259 -7.003 -0.314 831 HD21 LEU 110 1HD2 LEU 110 10.426 -9.361 -2.022 832 HD22 LEU 110 2HD2 LEU 110 10.372 -10.631 -0.799 833 HD23 LEU 110 3HD2 LEU 110 11.922 -10.092 -1.444 834 H SER 111 H SER 111 9.065 -8.944 3.998 835 HA SER 111 HA SER 111 9.629 -11.516 5.208 836 HB2 SER 111 1HB SER 111 9.291 -8.718 6.212 837 HB3 SER 111 2HB SER 111 9.109 -10.057 7.345 838 HG SER 111 HG SER 111 11.345 -9.888 5.635 839 H GLN 112 H GLN 112 6.914 -9.240 5.040 840 HA GLN 112 HA GLN 112 5.115 -10.573 6.677 841 HB2 GLN 112 1HB GLN 112 4.571 -8.958 4.181 842 HB3 GLN 112 2HB GLN 112 3.343 -9.440 5.343 843 HG2 GLN 112 1HG GLN 112 5.515 -7.423 5.603 844 HG3 GLN 112 2HG GLN 112 3.806 -7.299 6.014 845 HE21 GLN 112 1HE2 GLN 112 3.332 -9.324 7.656 846 HE22 GLN 112 2HE2 GLN 112 4.313 -9.235 9.074 847 H ALA 113 H ALA 113 5.719 -11.002 3.209 848 HA ALA 113 HA ALA 113 3.870 -13.258 3.130 849 HB1 ALA 113 1HB ALA 113 4.027 -11.450 1.326 850 HB2 ALA 113 2HB ALA 113 5.506 -12.266 0.818 851 HB3 ALA 113 3HB ALA 113 3.969 -13.132 0.796 852 H LYS 114 H LYS 114 6.324 -13.459 4.675 853 HA LYS 114 HA LYS 114 7.832 -15.445 3.120 854 HB2 LYS 114 1HB LYS 114 9.023 -13.475 4.208 855 HB3 LYS 114 2HB LYS 114 8.657 -14.229 5.754 856 HG2 LYS 114 1HG LYS 114 10.732 -15.075 5.421 857 HG3 LYS 114 2HG LYS 114 9.793 -16.316 4.588 858 HD2 LYS 114 1HD LYS 114 11.352 -15.878 2.978 859 HD3 LYS 114 2HD LYS 114 10.131 -14.682 2.535 860 HE2 LYS 114 1HE LYS 114 12.025 -13.385 2.540 861 HE3 LYS 114 2HE LYS 114 11.464 -13.158 4.197 862 HZ1 LYS 114 1HZ LYS 114 13.852 -13.624 4.061 863 HZ2 LYS 114 2HZ LYS 114 13.524 -15.127 3.358 864 HZ3 LYS 114 3HZ LYS 114 13.028 -14.809 4.944 865 H ASP 115 H ASP 115 5.291 -15.384 5.111 866 HA ASP 115 HA ASP 115 6.050 -17.571 6.862 867 HB2 ASP 115 1HB ASP 115 4.439 -15.580 7.392 868 HB3 ASP 115 2HB ASP 115 3.240 -16.570 6.565 869 H GLU 116 H GLU 116 6.210 -19.511 5.930 870 HA GLU 116 HA GLU 116 3.933 -20.450 4.327 871 HB2 GLU 116 1HB GLU 116 6.853 -20.892 3.683 872 HB3 GLU 116 2HB GLU 116 5.512 -21.675 2.858 873 HG2 GLU 116 1HG GLU 116 4.897 -19.772 1.750 874 HG3 GLU 116 2HG GLU 116 5.568 -18.705 2.982 875 H LEU 117 H LEU 117 3.105 -22.287 5.069 876 HA LEU 117 HA LEU 117 3.664 -23.557 7.361 877 HB2 LEU 117 1HB LEU 117 2.562 -24.548 4.782 878 HB3 LEU 117 2HB LEU 117 2.904 -25.720 6.052 879 HG LEU 117 HG LEU 117 0.561 -25.064 6.069 880 HD11 LEU 117 1HD1 LEU 117 2.270 -25.134 8.240 881 HD12 LEU 117 2HD1 LEU 117 0.509 -25.225 8.288 882 HD13 LEU 117 3HD1 LEU 117 1.316 -23.672 8.498 883 HD21 LEU 117 1HD2 LEU 117 0.761 -22.845 5.108 884 HD22 LEU 117 2HD2 LEU 117 1.611 -22.276 6.545 885 HD23 LEU 117 3HD2 LEU 117 -0.080 -22.766 6.657 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -8.053 -1.125 -23.449 2 HA2 GLY 1 1HA GLY 1 -9.176 -3.398 -22.766 3 HA3 GLY 1 2HA GLY 1 -7.495 -3.847 -22.520 4 H SER 2 H SER 2 -8.757 -4.175 -20.338 5 HA SER 2 HA SER 2 -8.623 -1.690 -18.770 6 HB2 SER 2 1HB SER 2 -9.928 -4.316 -18.017 7 HB3 SER 2 2HB SER 2 -10.039 -2.795 -17.133 8 HG SER 2 HG SER 2 -11.822 -3.401 -18.644 9 H SER 3 H SER 3 -7.950 -5.169 -18.328 10 HA SER 3 HA SER 3 -6.276 -4.858 -16.103 11 HB2 SER 3 1HB SER 3 -7.255 -7.016 -16.680 12 HB3 SER 3 2HB SER 3 -6.325 -7.065 -18.177 13 HG SER 3 HG SER 3 -4.485 -7.371 -17.037 14 H GLY 4 H GLY 4 -4.644 -3.403 -16.254 15 HA2 GLY 4 1HA GLY 4 -2.337 -4.163 -17.806 16 HA3 GLY 4 2HA GLY 4 -3.090 -2.677 -18.365 17 H SER 5 H SER 5 -0.628 -3.769 -16.582 18 HA SER 5 HA SER 5 -0.681 -2.424 -14.158 19 HB2 SER 5 1HB SER 5 1.089 -4.053 -15.086 20 HB3 SER 5 2HB SER 5 1.825 -2.629 -15.820 21 HG SER 5 HG SER 5 1.227 -2.854 -13.057 22 H SER 6 H SER 6 0.707 -0.499 -13.583 23 HA SER 6 HA SER 6 0.193 1.651 -15.526 24 HB2 SER 6 1HB SER 6 -0.880 1.624 -13.151 25 HB3 SER 6 2HB SER 6 0.718 2.133 -12.607 26 HG SER 6 HG SER 6 -0.853 3.450 -14.572 27 H GLY 7 H GLY 7 2.594 0.266 -13.358 28 HA2 GLY 7 1HA GLY 7 4.911 0.264 -13.782 29 HA3 GLY 7 2HA GLY 7 4.686 1.600 -14.900 30 H THR 8 H THR 8 2.934 2.703 -12.525 31 HA THR 8 HA THR 8 5.195 3.743 -10.949 32 HB THR 8 HB THR 8 3.865 5.920 -10.823 33 HG1 THR 8 1HG THR 8 2.415 6.254 -12.556 34 HG21 THR 8 1HG2 THR 8 5.405 6.661 -12.254 35 HG22 THR 8 2HG2 THR 8 4.573 5.897 -13.609 36 HG23 THR 8 3HG2 THR 8 5.758 4.986 -12.675 37 H VAL 9 H VAL 9 1.644 4.087 -10.933 38 HA VAL 9 HA VAL 9 1.443 2.687 -8.410 39 HB VAL 9 HB VAL 9 0.824 5.637 -8.586 40 HG11 VAL 9 1HG1 VAL 9 -0.946 4.302 -7.427 41 HG12 VAL 9 2HG1 VAL 9 0.282 3.795 -6.263 42 HG13 VAL 9 3HG1 VAL 9 -0.147 5.500 -6.409 43 HG21 VAL 9 1HG2 VAL 9 2.845 3.999 -7.103 44 HG22 VAL 9 2HG2 VAL 9 3.081 5.460 -8.063 45 HG23 VAL 9 3HG2 VAL 9 2.317 5.561 -6.476 46 H LEU 10 H LEU 10 -0.567 1.855 -8.065 47 HA LEU 10 HA LEU 10 -2.472 2.145 -10.244 48 HB2 LEU 10 1HB LEU 10 -2.004 0.194 -8.061 49 HB3 LEU 10 2HB LEU 10 -3.655 0.361 -8.656 50 HG LEU 10 HG LEU 10 -2.406 0.039 -10.995 51 HD11 LEU 10 1HD1 LEU 10 -0.797 -1.990 -10.307 52 HD12 LEU 10 2HD1 LEU 10 -0.526 -0.920 -8.932 53 HD13 LEU 10 3HD1 LEU 10 -0.221 -0.343 -10.571 54 HD21 LEU 10 1HD2 LEU 10 -4.017 -1.496 -9.296 55 HD22 LEU 10 2HD2 LEU 10 -2.717 -2.566 -9.821 56 HD23 LEU 10 3HD2 LEU 10 -3.723 -1.747 -11.017 57 H ALA 11 H ALA 11 -4.517 2.957 -10.063 58 HA ALA 11 HA ALA 11 -5.107 4.404 -7.572 59 HB1 ALA 11 1HB ALA 11 -6.799 5.580 -9.170 60 HB2 ALA 11 2HB ALA 11 -5.087 6.006 -9.227 61 HB3 ALA 11 3HB ALA 11 -5.766 4.917 -10.438 62 H LEU 12 H LEU 12 -6.271 3.051 -6.313 63 HA LEU 12 HA LEU 12 -8.418 1.465 -7.488 64 HB2 LEU 12 1HB LEU 12 -7.441 1.572 -4.639 65 HB3 LEU 12 2HB LEU 12 -8.578 0.405 -5.310 66 HG LEU 12 HG LEU 12 -5.660 0.653 -6.041 67 HD11 LEU 12 1HD1 LEU 12 -5.200 -1.071 -4.635 68 HD12 LEU 12 2HD1 LEU 12 -6.818 -1.761 -4.769 69 HD13 LEU 12 3HD1 LEU 12 -6.543 -0.350 -3.747 70 HD21 LEU 12 1HD2 LEU 12 -6.269 -0.384 -7.917 71 HD22 LEU 12 2HD2 LEU 12 -7.908 -0.661 -7.327 72 HD23 LEU 12 3HD2 LEU 12 -6.617 -1.788 -6.908 73 H THR 13 H THR 13 -10.568 1.502 -6.612 74 HA THR 13 HA THR 13 -11.283 4.038 -5.295 75 HB THR 13 HB THR 13 -13.328 4.151 -6.649 76 HG1 THR 13 1HG THR 13 -13.855 2.255 -7.471 77 HG21 THR 13 1HG2 THR 13 -12.030 5.499 -7.871 78 HG22 THR 13 2HG2 THR 13 -11.796 4.137 -8.967 79 HG23 THR 13 3HG2 THR 13 -10.632 4.442 -7.679 80 H GLU 14 H GLU 14 -13.495 3.966 -4.309 81 HA GLU 14 HA GLU 14 -13.693 1.852 -2.486 82 HB2 GLU 14 1HB GLU 14 -14.701 4.284 -2.472 83 HB3 GLU 14 2HB GLU 14 -16.098 3.487 -3.183 84 HG2 GLU 14 1HG GLU 14 -14.832 2.571 -0.618 85 HG3 GLU 14 2HG GLU 14 -16.120 3.774 -0.679 86 H ASN 15 H ASN 15 -14.582 1.970 -5.731 87 HA ASN 15 HA ASN 15 -16.680 -0.045 -5.460 88 HB2 ASN 15 1HB ASN 15 -15.797 1.811 -7.607 89 HB3 ASN 15 2HB ASN 15 -16.491 0.275 -8.118 90 HD21 ASN 15 1HD2 ASN 15 -17.082 3.350 -6.702 91 HD22 ASN 15 2HD2 ASN 15 -18.802 3.221 -6.611 92 H ASN 16 H ASN 16 -13.386 0.341 -6.578 93 HA ASN 16 HA ASN 16 -13.256 -2.569 -7.008 94 HB2 ASN 16 1HB ASN 16 -11.422 -2.001 -8.713 95 HB3 ASN 16 2HB ASN 16 -13.090 -1.705 -9.194 96 HD21 ASN 16 1HD2 ASN 16 -10.275 -0.114 -7.766 97 HD22 ASN 16 2HD2 ASN 16 -10.577 1.436 -8.466 98 H PHE 17 H PHE 17 -12.711 -1.222 -4.579 99 HA PHE 17 HA PHE 17 -9.799 -1.137 -4.386 100 HB2 PHE 17 1HB PHE 17 -10.725 0.671 -3.226 101 HB3 PHE 17 2HB PHE 17 -12.042 -0.299 -2.575 102 HD1 PHE 17 1HD PHE 17 -11.258 -2.268 -0.994 103 HD2 PHE 17 2HD PHE 17 -9.003 1.245 -1.824 104 HE1 PHE 17 1HE PHE 17 -9.991 -2.593 1.089 105 HE2 PHE 17 2HE PHE 17 -7.732 0.924 0.257 106 HZ PHE 17 HZ PHE 17 -8.224 -0.996 1.717 107 H ASP 18 H ASP 18 -12.521 -3.106 -3.486 108 HA ASP 18 HA ASP 18 -10.941 -4.782 -1.718 109 HB2 ASP 18 1HB ASP 18 -13.410 -4.199 -1.373 110 HB3 ASP 18 2HB ASP 18 -13.745 -5.341 -2.673 111 H ASP 19 H ASP 19 -12.568 -5.051 -4.859 112 HA ASP 19 HA ASP 19 -12.023 -7.712 -5.417 113 HB2 ASP 19 1HB ASP 19 -13.447 -6.068 -6.753 114 HB3 ASP 19 2HB ASP 19 -11.944 -5.535 -7.501 115 H THR 20 H THR 20 -10.008 -4.854 -5.949 116 HA THR 20 HA THR 20 -7.931 -6.078 -7.364 117 HB THR 20 HB THR 20 -7.689 -3.765 -5.430 118 HG1 THR 20 1HG THR 20 -9.220 -3.787 -7.428 119 HG21 THR 20 1HG2 THR 20 -5.732 -5.155 -6.910 120 HG22 THR 20 2HG2 THR 20 -5.545 -3.642 -6.025 121 HG23 THR 20 3HG2 THR 20 -5.989 -3.618 -7.732 122 H ILE 21 H ILE 21 -7.857 -5.161 -3.914 123 HA ILE 21 HA ILE 21 -5.567 -6.576 -3.238 124 HB ILE 21 HB ILE 21 -6.309 -6.459 -0.918 125 HG12 ILE 21 1HG1 ILE 21 -8.940 -5.446 -2.012 126 HG13 ILE 21 2HG1 ILE 21 -8.688 -7.066 -1.372 127 HG21 ILE 21 1HG2 ILE 21 -5.667 -4.337 -0.971 128 HG22 ILE 21 2HG2 ILE 21 -6.027 -4.278 -2.695 129 HG23 ILE 21 3HG2 ILE 21 -7.270 -3.850 -1.521 130 HD11 ILE 21 1HD1 ILE 21 -8.145 -6.121 0.807 131 HD12 ILE 21 2HD1 ILE 21 -8.387 -4.496 0.165 132 HD13 ILE 21 3HD1 ILE 21 -9.745 -5.617 0.263 133 H ALA 22 H ALA 22 -8.764 -7.721 -3.832 134 HA ALA 22 HA ALA 22 -8.697 -10.130 -2.373 135 HB1 ALA 22 1HB ALA 22 -10.670 -8.949 -3.567 136 HB2 ALA 22 2HB ALA 22 -10.160 -9.891 -4.970 137 HB3 ALA 22 3HB ALA 22 -10.641 -10.711 -3.483 138 H GLU 23 H GLU 23 -7.302 -9.191 -5.418 139 HA GLU 23 HA GLU 23 -6.511 -11.971 -5.948 140 HB2 GLU 23 1HB GLU 23 -6.340 -9.593 -7.804 141 HB3 GLU 23 2HB GLU 23 -6.050 -11.276 -8.222 142 HG2 GLU 23 1HG GLU 23 -8.694 -10.559 -7.086 143 HG3 GLU 23 2HG GLU 23 -8.340 -10.080 -8.746 144 H GLY 24 H GLY 24 -4.572 -12.512 -5.203 145 HA2 GLY 24 1HA GLY 24 -2.331 -12.427 -4.714 146 HA3 GLY 24 2HA GLY 24 -2.211 -11.158 -5.923 147 H ILE 25 H ILE 25 -0.523 -10.571 -4.195 148 HA ILE 25 HA ILE 25 -1.599 -9.267 -1.845 149 HB ILE 25 HB ILE 25 1.232 -9.356 -2.894 150 HG12 ILE 25 1HG1 ILE 25 -0.013 -10.885 -0.602 151 HG13 ILE 25 2HG1 ILE 25 0.227 -11.554 -2.213 152 HG21 ILE 25 1HG2 ILE 25 0.321 -7.486 -1.230 153 HG22 ILE 25 2HG2 ILE 25 0.627 -8.765 -0.057 154 HG23 ILE 25 3HG2 ILE 25 1.936 -8.180 -1.085 155 HD11 ILE 25 1HD1 ILE 25 2.329 -12.062 -1.752 156 HD12 ILE 25 2HD1 ILE 25 2.670 -10.419 -1.209 157 HD13 ILE 25 3HD1 ILE 25 2.009 -11.602 -0.080 158 H THR 26 H THR 26 -2.004 -7.154 -1.607 159 HA THR 26 HA THR 26 -1.050 -5.297 -3.682 160 HB THR 26 HB THR 26 -3.829 -5.260 -2.486 161 HG1 THR 26 1HG THR 26 -3.227 -6.939 -4.149 162 HG21 THR 26 1HG2 THR 26 -2.270 -3.373 -4.124 163 HG22 THR 26 2HG2 THR 26 -3.646 -3.084 -3.060 164 HG23 THR 26 3HG2 THR 26 -3.907 -3.688 -4.696 165 H PHE 27 H PHE 27 -0.049 -3.569 -2.885 166 HA PHE 27 HA PHE 27 -0.338 -2.993 -0.019 167 HB2 PHE 27 1HB PHE 27 1.942 -3.513 -1.237 168 HB3 PHE 27 2HB PHE 27 1.844 -1.814 -1.688 169 HD1 PHE 27 1HD PHE 27 0.894 -3.552 1.463 170 HD2 PHE 27 2HD PHE 27 3.420 -0.696 -0.429 171 HE1 PHE 27 1HE PHE 27 1.817 -2.922 3.655 172 HE2 PHE 27 2HE PHE 27 4.348 -0.062 1.759 173 HZ PHE 27 HZ PHE 27 3.548 -1.176 3.805 174 H ILE 28 H ILE 28 -1.742 -1.421 0.388 175 HA ILE 28 HA ILE 28 -2.023 0.784 -1.526 176 HB ILE 28 HB ILE 28 -3.793 0.085 0.818 177 HG12 ILE 28 1HG1 ILE 28 -4.404 -0.323 -2.107 178 HG13 ILE 28 2HG1 ILE 28 -3.682 -1.584 -1.115 179 HG21 ILE 28 1HG2 ILE 28 -5.392 1.574 -0.559 180 HG22 ILE 28 2HG2 ILE 28 -4.147 2.343 0.423 181 HG23 ILE 28 3HG2 ILE 28 -3.919 2.176 -1.318 182 HD11 ILE 28 1HD1 ILE 28 -5.682 -1.254 0.435 183 HD12 ILE 28 2HD1 ILE 28 -6.406 -0.366 -0.906 184 HD13 ILE 28 3HD1 ILE 28 -5.958 -2.060 -1.109 185 H LYS 29 H LYS 29 -2.058 2.965 -0.800 186 HA LYS 29 HA LYS 29 -0.814 3.429 1.825 187 HB2 LYS 29 1HB LYS 29 0.887 3.558 0.013 188 HB3 LYS 29 2HB LYS 29 -0.048 4.846 -0.735 189 HG2 LYS 29 1HG LYS 29 0.739 5.198 2.101 190 HG3 LYS 29 2HG LYS 29 2.001 5.327 0.873 191 HD2 LYS 29 1HD LYS 29 -0.595 6.846 0.732 192 HD3 LYS 29 2HD LYS 29 0.856 7.487 1.506 193 HE2 LYS 29 1HE LYS 29 1.100 6.419 -1.257 194 HE3 LYS 29 2HE LYS 29 0.284 7.967 -1.039 195 HZ1 LYS 29 1HZ LYS 29 3.058 7.267 -0.265 196 HZ2 LYS 29 2HZ LYS 29 2.288 8.683 0.245 197 HZ3 LYS 29 3HZ LYS 29 2.563 8.417 -1.402 198 H PHE 30 H PHE 30 -2.355 4.444 2.942 199 HA PHE 30 HA PHE 30 -4.201 6.260 1.646 200 HB2 PHE 30 1HB PHE 30 -3.973 5.663 4.598 201 HB3 PHE 30 2HB PHE 30 -5.361 6.328 3.743 202 HD1 PHE 30 1HD PHE 30 -3.323 3.292 4.233 203 HD2 PHE 30 2HD PHE 30 -6.940 4.924 2.691 204 HE1 PHE 30 1HE PHE 30 -4.214 1.019 3.926 205 HE2 PHE 30 2HE PHE 30 -7.837 2.654 2.382 206 HZ PHE 30 HZ PHE 30 -6.474 0.697 3.000 207 H TYR 31 H TYR 31 -3.429 8.214 1.149 208 HA TYR 31 HA TYR 31 -1.968 9.687 3.242 209 HB2 TYR 31 1HB TYR 31 -0.504 10.607 1.687 210 HB3 TYR 31 2HB TYR 31 -0.692 8.962 1.089 211 HD1 TYR 31 2HD TYR 31 -1.460 12.491 0.484 212 HD2 TYR 31 1HD TYR 31 -1.908 8.516 -0.967 213 HE1 TYR 31 2HE TYR 31 -2.171 13.374 -1.698 214 HE2 TYR 31 1HE TYR 31 -2.618 9.388 -3.154 215 HH TYR 31 HH TYR 31 -2.069 12.259 -4.255 216 H ALA 32 H ALA 32 -2.042 12.142 2.732 217 HA ALA 32 HA ALA 32 -4.700 12.900 1.732 218 HB1 ALA 32 1HB ALA 32 -5.232 13.036 3.944 219 HB2 ALA 32 2HB ALA 32 -3.570 13.359 4.439 220 HB3 ALA 32 3HB ALA 32 -4.541 14.642 3.719 221 HA PRO 33 HA PRO 33 -2.369 15.926 -0.486 222 HB2 PRO 33 1HB PRO 33 -4.443 17.501 -1.251 223 HB3 PRO 33 2HB PRO 33 -4.107 15.929 -1.987 224 HG2 PRO 33 1HG PRO 33 -6.103 16.644 0.126 225 HG3 PRO 33 2HG PRO 33 -6.299 15.590 -1.285 226 HD2 PRO 33 1HD PRO 33 -5.866 14.623 1.207 227 HD3 PRO 33 2HD PRO 33 -5.271 13.805 -0.252 228 H TRP 34 H TRP 34 -3.816 16.385 2.465 229 HA TRP 34 HA TRP 34 -3.089 19.237 2.558 230 HB2 TRP 34 1HB TRP 34 -4.517 19.320 4.607 231 HB3 TRP 34 2HB TRP 34 -5.403 18.899 3.144 232 HD1 TRP 34 HD TRP 34 -6.865 16.790 3.276 233 HE1 TRP 34 1HE TRP 34 -7.119 14.839 4.933 234 HE3 TRP 34 3HE TRP 34 -2.935 17.840 6.373 235 HZ2 TRP 34 2HZ TRP 34 -5.825 13.871 7.248 236 HZ3 TRP 34 3HZ TRP 34 -2.512 16.352 8.287 237 HH2 TRP 34 HH TRP 34 -3.928 14.409 8.713 238 H CYS 35 H CYS 35 -2.135 16.152 3.532 239 HA CYS 35 HA CYS 35 -0.839 16.944 5.986 240 HB2 CYS 35 1HB CYS 35 -1.776 14.593 5.293 241 HB3 CYS 35 2HB CYS 35 -0.201 14.403 4.531 242 HG CYS 35 HG CYS 35 1.119 13.817 6.661 243 H GLY 36 H GLY 36 1.524 16.543 6.290 244 HA2 GLY 36 1HA GLY 36 2.977 17.639 3.974 245 HA3 GLY 36 2HA GLY 36 3.465 17.814 5.653 246 H HIS 37 H HIS 37 3.286 15.209 6.548 247 HA HIS 37 HA HIS 37 5.732 14.132 5.920 248 HB2 HIS 37 1HB HIS 37 3.228 12.730 6.870 249 HB3 HIS 37 2HB HIS 37 4.814 11.967 6.822 250 HD1 HIS 37 1HD HIS 37 6.699 13.598 8.193 251 HD2 HIS 37 2HD HIS 37 2.701 13.707 9.323 252 HE1 HIS 37 1HE HIS 37 6.687 14.505 10.538 253 HE2 HIS 37 2HE HIS 37 4.265 14.482 11.231 254 H CYS 38 H CYS 38 2.623 13.518 4.369 255 HA CYS 38 HA CYS 38 3.220 11.350 2.788 256 HB2 CYS 38 1HB CYS 38 0.987 12.259 2.843 257 HB3 CYS 38 2HB CYS 38 1.536 13.774 2.136 258 HG CYS 38 HG CYS 38 1.944 10.905 0.365 259 H LYS 39 H LYS 39 3.777 14.777 2.016 260 HA LYS 39 HA LYS 39 4.765 14.650 -0.506 261 HB2 LYS 39 1HB LYS 39 5.563 16.322 1.850 262 HB3 LYS 39 2HB LYS 39 6.439 16.478 0.334 263 HG2 LYS 39 1HG LYS 39 4.770 18.157 0.359 264 HG3 LYS 39 2HG LYS 39 4.244 16.921 -0.786 265 HD2 LYS 39 1HD LYS 39 2.654 16.053 0.741 266 HD3 LYS 39 2HD LYS 39 3.339 16.971 2.085 267 HE2 LYS 39 1HE LYS 39 1.299 18.028 1.372 268 HE3 LYS 39 2HE LYS 39 2.660 19.062 0.941 269 HZ1 LYS 39 1HZ LYS 39 0.858 18.704 -0.795 270 HZ2 LYS 39 2HZ LYS 39 1.500 17.152 -0.993 271 HZ3 LYS 39 3HZ LYS 39 2.462 18.510 -1.300 272 H THR 40 H THR 40 6.327 13.522 2.405 273 HA THR 40 HA THR 40 8.896 13.132 1.175 274 HB THR 40 HB THR 40 7.796 12.105 3.798 275 HG1 THR 40 1HG THR 40 9.779 14.090 3.503 276 HG21 THR 40 1HG2 THR 40 10.589 12.022 2.657 277 HG22 THR 40 2HG2 THR 40 9.575 10.648 3.097 278 HG23 THR 40 3HG2 THR 40 10.201 11.719 4.350 279 H LEU 41 H LEU 41 6.147 11.080 2.049 280 HA LEU 41 HA LEU 41 7.447 8.714 0.988 281 HB2 LEU 41 1HB LEU 41 5.972 8.704 3.016 282 HB3 LEU 41 2HB LEU 41 4.608 9.017 1.944 283 HG LEU 41 HG LEU 41 5.266 6.849 0.761 284 HD11 LEU 41 1HD1 LEU 41 6.568 6.117 3.346 285 HD12 LEU 41 2HD1 LEU 41 7.516 6.876 2.068 286 HD13 LEU 41 3HD1 LEU 41 6.694 5.346 1.764 287 HD21 LEU 41 1HD2 LEU 41 4.457 6.055 3.459 288 HD22 LEU 41 2HD2 LEU 41 3.621 5.862 1.918 289 HD23 LEU 41 3HD2 LEU 41 3.525 7.394 2.788 290 H ALA 42 H ALA 42 5.970 11.278 -0.387 291 HA ALA 42 HA ALA 42 4.106 10.251 -2.182 292 HB1 ALA 42 1HB ALA 42 5.552 12.701 -1.835 293 HB2 ALA 42 2HB ALA 42 5.496 12.273 -3.545 294 HB3 ALA 42 3HB ALA 42 3.999 12.423 -2.625 295 HA PRO 43 HA PRO 43 7.656 9.600 -5.385 296 HB2 PRO 43 1HB PRO 43 10.210 9.869 -4.504 297 HB3 PRO 43 2HB PRO 43 9.270 11.220 -5.150 298 HG2 PRO 43 1HG PRO 43 9.794 10.468 -2.300 299 HG3 PRO 43 2HG PRO 43 9.818 12.071 -3.056 300 HD2 PRO 43 1HD PRO 43 7.716 11.177 -1.602 301 HD3 PRO 43 2HD PRO 43 7.523 12.279 -2.980 302 H THR 44 H THR 44 8.606 8.706 -2.080 303 HA THR 44 HA THR 44 9.973 6.357 -2.612 304 HB THR 44 HB THR 44 8.152 6.816 -0.242 305 HG1 THR 44 1HG THR 44 9.891 7.844 0.696 306 HG21 THR 44 1HG2 THR 44 9.395 4.521 -0.880 307 HG22 THR 44 2HG2 THR 44 9.155 5.056 0.783 308 HG23 THR 44 3HG2 THR 44 10.701 5.332 -0.018 309 H TRP 45 H TRP 45 6.491 6.859 -2.190 310 HA TRP 45 HA TRP 45 5.641 4.221 -2.210 311 HB2 TRP 45 1HB TRP 45 4.249 6.315 -1.827 312 HB3 TRP 45 2HB TRP 45 4.161 6.466 -3.579 313 HD1 TRP 45 HD TRP 45 1.859 5.673 -4.346 314 HE1 TRP 45 1HE TRP 45 0.293 3.711 -3.775 315 HE3 TRP 45 3HE TRP 45 4.602 3.501 -0.616 316 HZ2 TRP 45 2HZ TRP 45 0.229 1.532 -1.981 317 HZ3 TRP 45 3HZ TRP 45 3.717 1.482 0.475 318 HH2 TRP 45 HH TRP 45 1.576 0.520 -0.194 319 H GLU 46 H GLU 46 6.205 6.392 -4.965 320 HA GLU 46 HA GLU 46 5.392 4.651 -6.993 321 HB2 GLU 46 1HB GLU 46 7.358 6.927 -6.933 322 HB3 GLU 46 2HB GLU 46 7.056 6.016 -8.405 323 HG2 GLU 46 1HG GLU 46 5.731 8.039 -8.357 324 HG3 GLU 46 2HG GLU 46 4.695 6.615 -8.299 325 H GLU 47 H GLU 47 8.734 5.332 -5.934 326 HA GLU 47 HA GLU 47 10.144 3.567 -7.417 327 HB2 GLU 47 1HB GLU 47 10.499 4.125 -4.468 328 HB3 GLU 47 2HB GLU 47 11.696 3.323 -5.475 329 HG2 GLU 47 1HG GLU 47 10.650 6.089 -6.012 330 HG3 GLU 47 2HG GLU 47 12.102 5.751 -5.071 331 H LEU 48 H LEU 48 8.225 2.783 -4.556 332 HA LEU 48 HA LEU 48 8.969 0.134 -4.201 333 HB2 LEU 48 1HB LEU 48 7.500 1.504 -2.710 334 HB3 LEU 48 2HB LEU 48 6.185 1.235 -3.854 335 HG LEU 48 HG LEU 48 6.355 -1.195 -3.414 336 HD11 LEU 48 1HD1 LEU 48 8.407 -0.303 -1.400 337 HD12 LEU 48 2HD1 LEU 48 8.631 -1.420 -2.745 338 HD13 LEU 48 3HD1 LEU 48 7.623 -1.883 -1.374 339 HD21 LEU 48 1HD2 LEU 48 5.818 0.702 -1.150 340 HD22 LEU 48 2HD2 LEU 48 5.538 -1.032 -1.002 341 HD23 LEU 48 3HD2 LEU 48 4.664 -0.099 -2.217 342 H SER 49 H SER 49 6.487 1.499 -6.329 343 HA SER 49 HA SER 49 5.409 -0.902 -7.270 344 HB2 SER 49 1HB SER 49 4.330 0.373 -8.904 345 HB3 SER 49 2HB SER 49 4.628 1.558 -7.633 346 HG SER 49 HG SER 49 5.643 2.635 -9.113 347 H LYS 50 H LYS 50 8.187 0.973 -8.378 348 HA LYS 50 HA LYS 50 8.708 -0.573 -10.694 349 HB2 LYS 50 1HB LYS 50 10.537 1.175 -9.041 350 HB3 LYS 50 2HB LYS 50 10.959 0.495 -10.606 351 HG2 LYS 50 1HG LYS 50 9.361 1.813 -11.725 352 HG3 LYS 50 2HG LYS 50 8.566 2.266 -10.215 353 HD2 LYS 50 1HD LYS 50 10.561 3.518 -9.545 354 HD3 LYS 50 2HD LYS 50 11.356 3.062 -11.054 355 HE2 LYS 50 1HE LYS 50 8.702 4.396 -11.204 356 HE3 LYS 50 2HE LYS 50 10.103 5.377 -10.777 357 HZ1 LYS 50 1HZ LYS 50 9.592 5.279 -13.197 358 HZ2 LYS 50 2HZ LYS 50 9.997 3.638 -13.176 359 HZ3 LYS 50 3HZ LYS 50 11.166 4.803 -12.803 360 H LYS 51 H LYS 51 9.685 -0.841 -7.336 361 HA LYS 51 HA LYS 51 11.787 -2.627 -7.523 362 HB2 LYS 51 1HB LYS 51 9.608 -2.528 -5.428 363 HB3 LYS 51 2HB LYS 51 11.135 -3.382 -5.253 364 HG2 LYS 51 1HG LYS 51 11.102 -0.455 -5.856 365 HG3 LYS 51 2HG LYS 51 10.865 -1.038 -4.207 366 HD2 LYS 51 1HD LYS 51 13.179 -1.998 -5.852 367 HD3 LYS 51 2HD LYS 51 13.259 -0.453 -5.002 368 HE2 LYS 51 1HE LYS 51 12.409 -2.927 -3.552 369 HE3 LYS 51 2HE LYS 51 14.120 -2.618 -3.841 370 HZ1 LYS 51 1HZ LYS 51 13.748 -0.397 -2.784 371 HZ2 LYS 51 2HZ LYS 51 13.601 -1.718 -1.738 372 HZ3 LYS 51 3HZ LYS 51 12.216 -0.938 -2.315 373 H GLU 52 H GLU 52 11.775 -4.971 -6.970 374 HA GLU 52 HA GLU 52 9.468 -6.342 -8.189 375 HB2 GLU 52 1HB GLU 52 12.239 -7.467 -8.366 376 HB3 GLU 52 2HB GLU 52 10.849 -7.773 -9.397 377 HG2 GLU 52 1HG GLU 52 12.139 -5.076 -9.319 378 HG3 GLU 52 2HG GLU 52 12.796 -6.372 -10.317 379 H PHE 53 H PHE 53 8.712 -8.146 -7.187 380 HA PHE 53 HA PHE 53 9.969 -8.827 -4.616 381 HB2 PHE 53 1HB PHE 53 7.116 -9.366 -5.453 382 HB3 PHE 53 2HB PHE 53 7.800 -9.522 -3.838 383 HD1 PHE 53 1HD PHE 53 6.908 -7.087 -6.473 384 HD2 PHE 53 2HD PHE 53 7.888 -7.688 -2.374 385 HE1 PHE 53 1HE PHE 53 6.259 -4.765 -5.981 386 HE2 PHE 53 2HE PHE 53 7.239 -5.368 -1.875 387 HZ PHE 53 HZ PHE 53 6.422 -3.903 -3.679 388 HA PRO 54 HA PRO 54 10.790 -12.543 -7.172 389 HB2 PRO 54 1HB PRO 54 13.091 -13.176 -5.877 390 HB3 PRO 54 2HB PRO 54 13.024 -12.006 -7.200 391 HG2 PRO 54 1HG PRO 54 13.081 -11.523 -4.246 392 HG3 PRO 54 2HG PRO 54 13.961 -10.681 -5.534 393 HD2 PRO 54 1HD PRO 54 11.719 -9.670 -4.400 394 HD3 PRO 54 2HD PRO 54 12.142 -9.382 -6.100 395 H GLY 55 H GLY 55 10.291 -14.631 -6.690 396 HA2 GLY 55 1HA GLY 55 9.712 -16.487 -5.456 397 HA3 GLY 55 2HA GLY 55 10.524 -15.752 -4.081 398 H LEU 56 H LEU 56 8.304 -13.591 -5.291 399 HA LEU 56 HA LEU 56 6.231 -14.523 -3.415 400 HB2 LEU 56 1HB LEU 56 7.243 -11.742 -3.943 401 HB3 LEU 56 2HB LEU 56 5.708 -12.058 -3.137 402 HG LEU 56 HG LEU 56 8.486 -12.663 -2.151 403 HD11 LEU 56 1HD1 LEU 56 7.476 -11.403 -0.153 404 HD12 LEU 56 2HD1 LEU 56 6.234 -10.883 -1.291 405 HD13 LEU 56 3HD1 LEU 56 7.926 -10.477 -1.584 406 HD21 LEU 56 1HD2 LEU 56 7.332 -14.619 -1.572 407 HD22 LEU 56 2HD2 LEU 56 5.842 -13.743 -1.220 408 HD23 LEU 56 3HD2 LEU 56 7.228 -13.598 -0.137 409 H ALA 57 H ALA 57 4.078 -13.345 -3.870 410 HA ALA 57 HA ALA 57 3.396 -13.889 -6.620 411 HB1 ALA 57 1HB ALA 57 1.754 -13.059 -4.239 412 HB2 ALA 57 2HB ALA 57 1.075 -13.316 -5.846 413 HB3 ALA 57 3HB ALA 57 1.846 -14.651 -4.990 414 H GLY 58 H GLY 58 2.175 -12.382 -7.957 415 HA2 GLY 58 1HA GLY 58 3.442 -10.002 -8.459 416 HA3 GLY 58 2HA GLY 58 1.777 -10.330 -8.919 417 H VAL 59 H VAL 59 3.872 -8.816 -6.586 418 HA VAL 59 HA VAL 59 1.750 -7.911 -4.875 419 HB VAL 59 HB VAL 59 4.641 -7.057 -5.054 420 HG11 VAL 59 1HG1 VAL 59 3.325 -6.523 -2.538 421 HG12 VAL 59 2HG1 VAL 59 4.261 -5.441 -3.572 422 HG13 VAL 59 3HG1 VAL 59 2.538 -5.675 -3.869 423 HG21 VAL 59 1HG2 VAL 59 3.208 -9.217 -3.670 424 HG22 VAL 59 2HG2 VAL 59 4.903 -9.098 -4.140 425 HG23 VAL 59 3HG2 VAL 59 4.339 -8.308 -2.668 426 H LYS 60 H LYS 60 0.302 -6.531 -5.697 427 HA LYS 60 HA LYS 60 1.059 -4.518 -7.629 428 HB2 LYS 60 1HB LYS 60 -1.579 -5.150 -6.297 429 HB3 LYS 60 2HB LYS 60 -1.366 -3.901 -7.518 430 HG2 LYS 60 1HG LYS 60 -0.770 -5.530 -9.170 431 HG3 LYS 60 2HG LYS 60 -0.755 -6.815 -7.960 432 HD2 LYS 60 1HD LYS 60 -3.228 -5.193 -8.444 433 HD3 LYS 60 2HD LYS 60 -2.825 -6.560 -9.486 434 HE2 LYS 60 1HE LYS 60 -2.574 -7.878 -7.288 435 HE3 LYS 60 2HE LYS 60 -3.461 -6.542 -6.555 436 HZ1 LYS 60 1HZ LYS 60 -4.886 -7.216 -8.806 437 HZ2 LYS 60 2HZ LYS 60 -5.299 -7.569 -7.205 438 HZ3 LYS 60 3HZ LYS 60 -4.440 -8.700 -8.125 439 H ILE 61 H ILE 61 0.869 -2.271 -7.341 440 HA ILE 61 HA ILE 61 0.756 -1.371 -4.538 441 HB ILE 61 HB ILE 61 2.581 -0.183 -6.624 442 HG12 ILE 61 1HG1 ILE 61 3.235 -2.513 -6.086 443 HG13 ILE 61 2HG1 ILE 61 4.422 -1.337 -5.533 444 HG21 ILE 61 1HG2 ILE 61 2.614 1.486 -5.143 445 HG22 ILE 61 2HG2 ILE 61 1.810 0.519 -3.908 446 HG23 ILE 61 3HG2 ILE 61 3.557 0.404 -4.120 447 HD11 ILE 61 1HD1 ILE 61 2.326 -2.601 -3.785 448 HD12 ILE 61 2HD1 ILE 61 3.999 -3.147 -3.916 449 HD13 ILE 61 3HD1 ILE 61 3.639 -1.544 -3.272 450 H ALA 62 H ALA 62 -0.977 -0.133 -4.296 451 HA ALA 62 HA ALA 62 -1.639 1.787 -6.434 452 HB1 ALA 62 1HB ALA 62 -3.307 -0.243 -5.172 453 HB2 ALA 62 2HB ALA 62 -4.023 1.368 -5.139 454 HB3 ALA 62 3HB ALA 62 -3.546 0.647 -6.676 455 H GLU 63 H GLU 63 -3.384 3.408 -5.384 456 HA GLU 63 HA GLU 63 -2.369 4.255 -2.759 457 HB2 GLU 63 1HB GLU 63 -1.806 6.353 -3.444 458 HB3 GLU 63 2HB GLU 63 -1.524 5.508 -4.960 459 HG2 GLU 63 1HG GLU 63 -4.016 7.022 -4.215 460 HG3 GLU 63 2HG GLU 63 -2.752 7.571 -5.315 461 H VAL 64 H VAL 64 -3.802 5.939 -1.750 462 HA VAL 64 HA VAL 64 -6.543 6.029 -2.656 463 HB VAL 64 HB VAL 64 -5.794 4.530 -0.148 464 HG11 VAL 64 1HG1 VAL 64 -8.336 5.898 -0.905 465 HG12 VAL 64 2HG1 VAL 64 -8.399 4.393 0.014 466 HG13 VAL 64 3HG1 VAL 64 -7.541 5.790 0.665 467 HG21 VAL 64 1HG2 VAL 64 -7.177 3.833 -2.713 468 HG22 VAL 64 2HG2 VAL 64 -5.840 3.010 -1.909 469 HG23 VAL 64 3HG2 VAL 64 -7.469 2.898 -1.247 470 H ASP 65 H ASP 65 -7.285 7.992 -2.222 471 HA ASP 65 HA ASP 65 -5.890 9.655 -0.284 472 HB2 ASP 65 1HB ASP 65 -6.472 10.466 -2.600 473 HB3 ASP 65 2HB ASP 65 -8.164 10.443 -2.112 474 H CYS 66 H CYS 66 -6.826 10.607 1.502 475 HA CYS 66 HA CYS 66 -9.142 9.217 2.566 476 HB2 CYS 66 1HB CYS 66 -7.148 11.149 3.738 477 HB3 CYS 66 2HB CYS 66 -8.592 10.658 4.618 478 H THR 67 H THR 67 -8.231 12.447 1.519 479 HA THR 67 HA THR 67 -10.556 13.776 2.440 480 HB THR 67 HB THR 67 -9.897 15.627 1.052 481 HG1 THR 67 1HG THR 67 -8.084 15.282 -0.435 482 HG21 THR 67 1HG2 THR 67 -7.583 14.150 2.291 483 HG22 THR 67 2HG2 THR 67 -8.535 15.462 2.985 484 HG23 THR 67 3HG2 THR 67 -7.435 15.784 1.645 485 H ALA 68 H ALA 68 -9.861 11.860 -0.369 486 HA ALA 68 HA ALA 68 -12.332 12.702 -1.688 487 HB1 ALA 68 1HB ALA 68 -10.817 10.592 -3.000 488 HB2 ALA 68 2HB ALA 68 -11.349 12.156 -3.616 489 HB3 ALA 68 3HB ALA 68 -9.856 12.037 -2.685 490 H GLU 69 H GLU 69 -10.767 9.757 -0.462 491 HA GLU 69 HA GLU 69 -13.392 8.424 -0.532 492 HB2 GLU 69 1HB GLU 69 -10.603 7.268 -0.588 493 HB3 GLU 69 2HB GLU 69 -12.057 6.298 -0.400 494 HG2 GLU 69 1HG GLU 69 -11.185 7.900 -2.778 495 HG3 GLU 69 2HG GLU 69 -11.485 6.167 -2.670 496 H ARG 70 H ARG 70 -13.689 9.751 1.504 497 HA ARG 70 HA ARG 70 -12.268 9.298 3.853 498 HB2 ARG 70 1HB ARG 70 -15.172 9.992 3.408 499 HB3 ARG 70 2HB ARG 70 -14.427 9.951 5.001 500 HG2 ARG 70 1HG ARG 70 -14.154 12.150 4.570 501 HG3 ARG 70 2HG ARG 70 -12.690 11.560 3.783 502 HD2 ARG 70 1HD ARG 70 -13.997 13.173 2.411 503 HD3 ARG 70 2HD ARG 70 -13.748 11.609 1.636 504 HE ARG 70 HE ARG 70 -16.189 11.518 2.982 505 HH11 ARG 70 2HH1 ARG 70 -14.726 13.190 0.302 506 HH12 ARG 70 1HH1 ARG 70 -16.220 13.402 -0.550 507 HH21 ARG 70 2HH2 ARG 70 -18.162 11.790 1.869 508 HH22 ARG 70 1HH2 ARG 70 -18.173 12.606 0.343 509 H ASN 71 H ASN 71 -15.371 7.796 2.920 510 HA ASN 71 HA ASN 71 -15.859 6.044 4.856 511 HB2 ASN 71 1HB ASN 71 -16.062 5.792 1.899 512 HB3 ASN 71 2HB ASN 71 -16.291 4.327 2.848 513 HD21 ASN 71 1HD2 ASN 71 -18.393 4.942 1.499 514 HD22 ASN 71 2HD2 ASN 71 -19.613 5.714 2.449 515 H ILE 72 H ILE 72 -13.729 5.078 2.158 516 HA ILE 72 HA ILE 72 -12.784 2.716 3.174 517 HB ILE 72 HB ILE 72 -11.198 4.739 1.589 518 HG12 ILE 72 1HG1 ILE 72 -12.891 2.389 0.715 519 HG13 ILE 72 2HG1 ILE 72 -13.276 4.090 0.478 520 HG21 ILE 72 1HG2 ILE 72 -9.939 2.866 2.796 521 HG22 ILE 72 2HG2 ILE 72 -10.723 1.779 1.651 522 HG23 ILE 72 3HG2 ILE 72 -9.659 3.058 1.066 523 HD11 ILE 72 1HD1 ILE 72 -11.486 2.332 -1.029 524 HD12 ILE 72 2HD1 ILE 72 -12.388 3.758 -1.545 525 HD13 ILE 72 3HD1 ILE 72 -10.848 3.944 -0.705 526 H CYS 73 H CYS 73 -10.936 5.764 3.376 527 HA CYS 73 HA CYS 73 -8.992 4.963 5.131 528 HB2 CYS 73 1HB CYS 73 -10.287 7.595 4.571 529 HB3 CYS 73 2HB CYS 73 -9.193 7.477 5.946 530 H SER 74 H SER 74 -11.893 6.781 6.140 531 HA SER 74 HA SER 74 -11.709 6.706 8.817 532 HB2 SER 74 1HB SER 74 -13.677 7.476 7.280 533 HB3 SER 74 2HB SER 74 -14.331 5.872 7.612 534 HG SER 74 HG SER 74 -15.125 7.163 9.194 535 H LYS 75 H LYS 75 -13.043 4.030 6.882 536 HA LYS 75 HA LYS 75 -13.631 2.248 8.896 537 HB2 LYS 75 1HB LYS 75 -14.186 1.848 6.546 538 HB3 LYS 75 2HB LYS 75 -12.483 1.632 6.166 539 HG2 LYS 75 1HG LYS 75 -12.597 -0.261 7.942 540 HG3 LYS 75 2HG LYS 75 -14.336 -0.179 7.647 541 HD2 LYS 75 1HD LYS 75 -14.105 -0.811 5.411 542 HD3 LYS 75 2HD LYS 75 -12.390 -0.397 5.375 543 HE2 LYS 75 1HE LYS 75 -12.645 -2.798 5.392 544 HE3 LYS 75 2HE LYS 75 -11.940 -2.269 6.918 545 HZ1 LYS 75 1HZ LYS 75 -14.377 -3.662 6.449 546 HZ2 LYS 75 2HZ LYS 75 -14.650 -2.249 7.339 547 HZ3 LYS 75 3HZ LYS 75 -13.552 -3.406 7.903 548 H TYR 76 H TYR 76 -10.506 2.889 7.380 549 HA TYR 76 HA TYR 76 -9.190 0.874 9.001 550 HB2 TYR 76 1HB TYR 76 -8.157 2.837 6.951 551 HB3 TYR 76 2HB TYR 76 -7.121 1.721 7.834 552 HD1 TYR 76 1HD TYR 76 -7.982 -0.816 7.735 553 HD2 TYR 76 2HD TYR 76 -8.862 2.190 4.856 554 HE1 TYR 76 1HE TYR 76 -8.425 -2.561 6.059 555 HE2 TYR 76 2HE TYR 76 -9.309 0.454 3.172 556 HH TYR 76 HH TYR 76 -10.090 -2.213 3.440 557 H SER 77 H SER 77 -10.497 3.329 10.153 558 HA SER 77 HA SER 77 -10.006 5.112 11.546 559 HB2 SER 77 1HB SER 77 -8.529 2.728 12.658 560 HB3 SER 77 2HB SER 77 -8.640 4.254 13.536 561 HG SER 77 HG SER 77 -10.427 3.349 14.230 562 H VAL 78 H VAL 78 -8.413 5.319 9.264 563 HA VAL 78 HA VAL 78 -5.657 5.653 9.916 564 HB VAL 78 HB VAL 78 -7.228 6.779 7.593 565 HG11 VAL 78 1HG1 VAL 78 -5.391 7.915 7.078 566 HG12 VAL 78 2HG1 VAL 78 -4.537 7.235 8.464 567 HG13 VAL 78 3HG1 VAL 78 -4.528 6.385 6.918 568 HG21 VAL 78 1HG2 VAL 78 -5.373 4.577 7.107 569 HG22 VAL 78 2HG2 VAL 78 -6.725 4.144 8.153 570 HG23 VAL 78 3HG2 VAL 78 -7.031 4.809 6.549 571 H ARG 79 H ARG 79 -5.091 7.106 11.418 572 HA ARG 79 HA ARG 79 -6.170 9.837 11.159 573 HB2 ARG 79 1HB ARG 79 -5.321 8.413 13.689 574 HB3 ARG 79 2HB ARG 79 -5.854 10.086 13.592 575 HG2 ARG 79 1HG ARG 79 -8.055 9.499 13.181 576 HG3 ARG 79 2HG ARG 79 -7.623 7.880 12.627 577 HD2 ARG 79 1HD ARG 79 -7.070 8.706 15.448 578 HD3 ARG 79 2HD ARG 79 -8.691 8.198 14.977 579 HE ARG 79 HE ARG 79 -7.180 6.187 14.047 580 HH11 ARG 79 2HH1 ARG 79 -7.283 7.788 17.136 581 HH12 ARG 79 1HH1 ARG 79 -6.795 6.384 18.027 582 HH21 ARG 79 2HH2 ARG 79 -6.535 4.332 15.208 583 HH22 ARG 79 1HH2 ARG 79 -6.369 4.419 16.929 584 H GLY 80 H GLY 80 -3.375 7.806 11.694 585 HA2 GLY 80 1HA GLY 80 -1.647 10.193 11.730 586 HA3 GLY 80 2HA GLY 80 -1.181 8.597 12.301 587 H TYR 81 H TYR 81 -1.318 10.731 9.625 588 HA TYR 81 HA TYR 81 -0.571 8.638 7.729 589 HB2 TYR 81 1HB TYR 81 -0.700 11.508 6.937 590 HB3 TYR 81 2HB TYR 81 -1.175 10.074 6.036 591 HD1 TYR 81 2HD TYR 81 -2.191 12.252 8.870 592 HD2 TYR 81 1HD TYR 81 -3.421 9.407 5.955 593 HE1 TYR 81 2HE TYR 81 -4.540 12.661 9.470 594 HE2 TYR 81 1HE TYR 81 -5.774 9.809 6.547 595 HH TYR 81 HH TYR 81 -7.069 11.886 7.633 596 HA PRO 82 HA PRO 82 0.366 8.909 5.561 597 HB2 PRO 82 1HB PRO 82 2.329 7.218 4.751 598 HB3 PRO 82 2HB PRO 82 2.263 8.916 4.265 599 HG2 PRO 82 1HG PRO 82 3.896 7.625 6.416 600 HG3 PRO 82 2HG PRO 82 4.376 8.855 5.232 601 HD2 PRO 82 1HD PRO 82 3.756 9.465 7.796 602 HD3 PRO 82 2HD PRO 82 3.435 10.573 6.446 603 H THR 83 H THR 83 -0.533 6.832 5.256 604 HA THR 83 HA THR 83 -0.072 4.939 7.468 605 HB THR 83 HB THR 83 -2.734 5.534 6.161 606 HG1 THR 83 1HG THR 83 -1.923 6.082 8.833 607 HG21 THR 83 1HG2 THR 83 -3.501 3.662 7.097 608 HG22 THR 83 2HG2 THR 83 -2.861 4.140 8.670 609 HG23 THR 83 3HG2 THR 83 -1.844 3.250 7.537 610 H LEU 84 H LEU 84 0.527 2.977 6.834 611 HA LEU 84 HA LEU 84 -0.135 2.126 4.091 612 HB2 LEU 84 1HB LEU 84 2.265 1.199 5.639 613 HB3 LEU 84 2HB LEU 84 1.943 1.022 3.915 614 HG LEU 84 HG LEU 84 2.478 3.663 5.266 615 HD11 LEU 84 1HD1 LEU 84 4.306 1.624 4.883 616 HD12 LEU 84 2HD1 LEU 84 4.672 3.335 5.113 617 HD13 LEU 84 3HD1 LEU 84 4.536 2.673 3.484 618 HD21 LEU 84 1HD2 LEU 84 1.183 3.494 3.049 619 HD22 LEU 84 2HD2 LEU 84 2.731 3.019 2.349 620 HD23 LEU 84 3HD2 LEU 84 2.562 4.591 3.133 621 H LEU 85 H LEU 85 -0.926 0.092 3.785 622 HA LEU 85 HA LEU 85 -0.994 -1.779 6.017 623 HB2 LEU 85 1HB LEU 85 -3.452 -0.669 4.681 624 HB3 LEU 85 2HB LEU 85 -3.453 -2.137 5.654 625 HG LEU 85 HG LEU 85 -2.631 0.559 6.720 626 HD11 LEU 85 1HD1 LEU 85 -4.884 0.862 6.136 627 HD12 LEU 85 2HD1 LEU 85 -4.906 0.439 7.847 628 HD13 LEU 85 3HD1 LEU 85 -5.322 -0.772 6.634 629 HD21 LEU 85 1HD2 LEU 85 -3.451 -0.819 8.841 630 HD22 LEU 85 2HD2 LEU 85 -1.792 -0.900 8.247 631 HD23 LEU 85 3HD2 LEU 85 -2.941 -2.172 7.831 632 H LEU 86 H LEU 86 -0.639 -3.786 5.325 633 HA LEU 86 HA LEU 86 -0.667 -4.304 2.458 634 HB2 LEU 86 1HB LEU 86 1.313 -4.910 3.754 635 HB3 LEU 86 2HB LEU 86 0.334 -5.975 4.759 636 HG LEU 86 HG LEU 86 -0.158 -7.293 2.650 637 HD11 LEU 86 1HD1 LEU 86 1.815 -6.985 0.979 638 HD12 LEU 86 2HD1 LEU 86 1.858 -5.345 1.625 639 HD13 LEU 86 3HD1 LEU 86 0.389 -5.954 0.860 640 HD21 LEU 86 1HD2 LEU 86 2.343 -7.149 4.188 641 HD22 LEU 86 2HD2 LEU 86 2.451 -8.028 2.663 642 HD23 LEU 86 3HD2 LEU 86 1.272 -8.517 3.881 643 H PHE 87 H PHE 87 -1.972 -5.751 1.448 644 HA PHE 87 HA PHE 87 -3.903 -7.230 3.105 645 HB2 PHE 87 1HB PHE 87 -4.509 -5.740 0.542 646 HB3 PHE 87 2HB PHE 87 -5.648 -6.753 1.424 647 HD1 PHE 87 1HD PHE 87 -3.540 -3.717 1.756 648 HD2 PHE 87 2HD PHE 87 -6.958 -5.856 3.121 649 HE1 PHE 87 1HE PHE 87 -4.211 -1.775 3.110 650 HE2 PHE 87 2HE PHE 87 -7.634 -3.917 4.476 651 HZ PHE 87 HZ PHE 87 -6.261 -1.873 4.472 652 H ARG 88 H ARG 88 -3.982 -9.334 2.677 653 HA ARG 88 HA ARG 88 -3.108 -10.272 0.029 654 HB2 ARG 88 1HB ARG 88 -1.323 -10.606 1.730 655 HB3 ARG 88 2HB ARG 88 -2.439 -11.599 2.660 656 HG2 ARG 88 1HG ARG 88 -2.555 -13.209 0.851 657 HG3 ARG 88 2HG ARG 88 -1.499 -12.199 -0.137 658 HD2 ARG 88 1HD ARG 88 0.342 -12.549 1.314 659 HD3 ARG 88 2HD ARG 88 -0.685 -13.270 2.553 660 HE ARG 88 HE ARG 88 -0.846 -14.780 0.178 661 HH11 ARG 88 2HH1 ARG 88 1.330 -14.065 2.799 662 HH12 ARG 88 1HH1 ARG 88 2.159 -15.583 2.698 663 HH21 ARG 88 2HH2 ARG 88 0.238 -16.782 0.033 664 HH22 ARG 88 1HH2 ARG 88 1.539 -17.128 1.124 665 H GLY 89 H GLY 89 -4.801 -11.188 -0.925 666 HA2 GLY 89 1HA GLY 89 -6.297 -13.023 -1.144 667 HA3 GLY 89 2HA GLY 89 -6.394 -13.117 0.608 668 H GLY 90 H GLY 90 -6.760 -10.146 0.758 669 HA2 GLY 90 1HA GLY 90 -8.679 -8.847 -0.415 670 HA3 GLY 90 2HA GLY 90 -9.643 -10.186 0.190 671 H LYS 91 H LYS 91 -7.382 -9.886 2.466 672 HA LYS 91 HA LYS 91 -8.790 -7.754 3.929 673 HB2 LYS 91 1HB LYS 91 -8.231 -10.572 4.781 674 HB3 LYS 91 2HB LYS 91 -8.299 -9.296 5.988 675 HG2 LYS 91 1HG LYS 91 -10.537 -9.499 4.050 676 HG3 LYS 91 2HG LYS 91 -10.426 -10.707 5.332 677 HD2 LYS 91 1HD LYS 91 -11.689 -9.123 6.394 678 HD3 LYS 91 2HD LYS 91 -10.073 -8.567 6.839 679 HE2 LYS 91 1HE LYS 91 -11.650 -6.783 6.024 680 HE3 LYS 91 2HE LYS 91 -10.104 -6.873 5.180 681 HZ1 LYS 91 1HZ LYS 91 -11.093 -7.434 3.270 682 HZ2 LYS 91 2HZ LYS 91 -12.501 -6.812 3.972 683 HZ3 LYS 91 3HZ LYS 91 -12.201 -8.477 4.012 684 H LYS 92 H LYS 92 -7.562 -6.767 5.640 685 HA LYS 92 HA LYS 92 -4.976 -6.056 4.949 686 HB2 LYS 92 1HB LYS 92 -4.802 -5.050 7.155 687 HB3 LYS 92 2HB LYS 92 -6.405 -4.766 6.490 688 HG2 LYS 92 1HG LYS 92 -7.219 -6.703 7.844 689 HG3 LYS 92 2HG LYS 92 -5.631 -6.750 8.613 690 HD2 LYS 92 1HD LYS 92 -6.889 -5.465 10.086 691 HD3 LYS 92 2HD LYS 92 -6.056 -4.249 9.114 692 HE2 LYS 92 1HE LYS 92 -7.970 -3.648 7.988 693 HE3 LYS 92 2HE LYS 92 -8.741 -5.212 8.242 694 HZ1 LYS 92 1HZ LYS 92 -9.834 -3.603 9.593 695 HZ2 LYS 92 2HZ LYS 92 -8.374 -3.057 10.249 696 HZ3 LYS 92 3HZ LYS 92 -8.942 -4.606 10.623 697 H VAL 93 H VAL 93 -2.979 -6.390 6.265 698 HA VAL 93 HA VAL 93 -2.809 -9.138 7.313 699 HB VAL 93 HB VAL 93 -0.704 -7.799 5.610 700 HG11 VAL 93 1HG1 VAL 93 -0.679 -10.094 7.359 701 HG12 VAL 93 2HG1 VAL 93 -0.295 -10.554 5.700 702 HG13 VAL 93 3HG1 VAL 93 0.655 -9.311 6.513 703 HG21 VAL 93 1HG2 VAL 93 -2.653 -8.362 4.270 704 HG22 VAL 93 2HG2 VAL 93 -1.314 -9.447 3.893 705 HG23 VAL 93 3HG2 VAL 93 -2.642 -10.005 4.911 706 H SER 94 H SER 94 -0.933 -6.113 7.055 707 HA SER 94 HA SER 94 -0.704 -5.834 9.879 708 HB2 SER 94 1HB SER 94 0.961 -7.716 9.224 709 HB3 SER 94 2HB SER 94 1.930 -6.408 8.546 710 HG SER 94 HG SER 94 2.131 -5.517 10.550 711 H GLU 95 H GLU 95 0.534 -3.933 10.494 712 HA GLU 95 HA GLU 95 0.516 -1.943 8.350 713 HB2 GLU 95 1HB GLU 95 -0.747 -1.556 10.494 714 HB3 GLU 95 2HB GLU 95 0.803 -1.478 11.320 715 HG2 GLU 95 1HG GLU 95 1.392 0.519 10.304 716 HG3 GLU 95 2HG GLU 95 0.235 0.306 8.991 717 H HIS 96 H HIS 96 2.281 -0.721 7.798 718 HA HIS 96 HA HIS 96 4.862 -1.809 8.594 719 HB2 HIS 96 1HB HIS 96 4.251 -1.399 6.180 720 HB3 HIS 96 2HB HIS 96 4.307 0.327 6.530 721 HD1 HIS 96 1HD HIS 96 6.868 0.445 8.216 722 HD2 HIS 96 2HD HIS 96 6.504 -1.721 4.690 723 HE1 HIS 96 1HE HIS 96 9.212 0.178 7.346 724 HE2 HIS 96 2HE HIS 96 8.959 -1.061 5.168 725 H SER 97 H SER 97 5.922 -0.947 10.240 726 HA SER 97 HA SER 97 5.831 1.967 10.613 727 HB2 SER 97 1HB SER 97 4.377 0.527 12.252 728 HB3 SER 97 2HB SER 97 5.929 0.160 13.005 729 HG SER 97 HG SER 97 4.554 2.168 13.607 730 H GLY 98 H GLY 98 7.877 1.544 9.333 731 HA2 GLY 98 1HA GLY 98 10.090 1.415 11.229 732 HA3 GLY 98 2HA GLY 98 10.106 0.233 9.929 733 H GLY 99 H GLY 99 9.634 3.748 10.351 734 HA2 GLY 99 1HA GLY 99 10.824 5.475 9.349 735 HA3 GLY 99 2HA GLY 99 11.762 4.280 8.464 736 H ARG 100 H ARG 100 9.231 2.980 7.529 737 HA ARG 100 HA ARG 100 7.944 3.013 5.653 738 HB2 ARG 100 1HB ARG 100 7.704 5.924 6.431 739 HB3 ARG 100 2HB ARG 100 6.731 5.150 5.188 740 HG2 ARG 100 1HG ARG 100 5.703 3.709 6.791 741 HG3 ARG 100 2HG ARG 100 6.803 4.254 8.058 742 HD2 ARG 100 1HD ARG 100 5.853 6.590 7.610 743 HD3 ARG 100 2HD ARG 100 4.569 5.759 6.733 744 HE ARG 100 HE ARG 100 4.859 5.953 9.559 745 HH11 ARG 100 2HH1 ARG 100 3.729 3.876 7.004 746 HH12 ARG 100 1HH1 ARG 100 2.574 3.058 8.003 747 HH21 ARG 100 2HH2 ARG 100 3.342 4.883 10.885 748 HH22 ARG 100 1HH2 ARG 100 2.354 3.632 10.211 749 H ASP 101 H ASP 101 10.718 3.217 5.245 750 HA ASP 101 HA ASP 101 11.040 5.158 3.081 751 HB2 ASP 101 1HB ASP 101 12.991 3.376 4.541 752 HB3 ASP 101 2HB ASP 101 13.437 4.308 3.115 753 H LEU 102 H LEU 102 12.370 4.283 1.159 754 HA LEU 102 HA LEU 102 10.806 2.456 -0.252 755 HB2 LEU 102 1HB LEU 102 12.096 3.926 -1.526 756 HB3 LEU 102 2HB LEU 102 13.574 3.530 -0.652 757 HG LEU 102 HG LEU 102 13.591 1.316 -1.745 758 HD11 LEU 102 1HD1 LEU 102 11.409 0.786 -2.283 759 HD12 LEU 102 2HD1 LEU 102 12.079 1.234 -3.851 760 HD13 LEU 102 3HD1 LEU 102 11.077 2.380 -2.961 761 HD21 LEU 102 1HD2 LEU 102 13.561 3.784 -3.464 762 HD22 LEU 102 2HD2 LEU 102 14.053 2.203 -4.074 763 HD23 LEU 102 3HD2 LEU 102 14.950 2.958 -2.756 764 H ASP 103 H ASP 103 14.095 1.956 1.041 765 HA ASP 103 HA ASP 103 14.267 -0.769 0.474 766 HB2 ASP 103 1HB ASP 103 15.606 0.984 2.517 767 HB3 ASP 103 2HB ASP 103 15.932 -0.746 2.457 768 H SER 104 H SER 104 13.437 0.776 3.581 769 HA SER 104 HA SER 104 12.842 -1.542 4.994 770 HB2 SER 104 1HB SER 104 11.772 1.270 5.258 771 HB3 SER 104 2HB SER 104 11.369 -0.014 6.398 772 HG SER 104 HG SER 104 13.136 1.053 7.206 773 H LEU 105 H LEU 105 10.917 0.264 2.703 774 HA LEU 105 HA LEU 105 8.429 -0.978 3.308 775 HB2 LEU 105 1HB LEU 105 9.486 0.655 1.040 776 HB3 LEU 105 2HB LEU 105 7.935 -0.167 0.878 777 HG LEU 105 HG LEU 105 8.477 1.687 3.174 778 HD11 LEU 105 1HD1 LEU 105 7.902 3.561 1.977 779 HD12 LEU 105 2HD1 LEU 105 7.105 2.638 0.704 780 HD13 LEU 105 3HD1 LEU 105 8.865 2.683 0.790 781 HD21 LEU 105 1HD2 LEU 105 5.824 1.596 2.003 782 HD22 LEU 105 2HD2 LEU 105 6.332 1.354 3.674 783 HD23 LEU 105 3HD2 LEU 105 6.378 0.008 2.535 784 H HIS 106 H HIS 106 10.986 -1.612 0.947 785 HA HIS 106 HA HIS 106 9.637 -3.692 -0.419 786 HB2 HIS 106 1HB HIS 106 11.624 -2.419 -1.284 787 HB3 HIS 106 2HB HIS 106 12.627 -3.329 -0.157 788 HD1 HIS 106 1HD HIS 106 13.832 -5.095 -1.375 789 HD2 HIS 106 2HD HIS 106 9.987 -4.564 -2.855 790 HE1 HIS 106 1HE HIS 106 13.573 -6.804 -3.203 791 HE2 HIS 106 2HE HIS 106 11.270 -6.406 -4.141 792 H ARG 107 H ARG 107 12.269 -3.834 1.986 793 HA ARG 107 HA ARG 107 12.365 -6.585 2.291 794 HB2 ARG 107 1HB ARG 107 13.516 -6.206 4.349 795 HB3 ARG 107 2HB ARG 107 13.973 -4.912 3.250 796 HG2 ARG 107 1HG ARG 107 13.592 -3.691 5.123 797 HG3 ARG 107 2HG ARG 107 11.965 -3.677 4.442 798 HD2 ARG 107 1HD ARG 107 11.480 -4.311 6.581 799 HD3 ARG 107 2HD ARG 107 11.734 -5.896 5.852 800 HE ARG 107 HE ARG 107 13.481 -6.175 7.279 801 HH11 ARG 107 2HH1 ARG 107 12.978 -2.760 6.825 802 HH12 ARG 107 1HH1 ARG 107 14.215 -2.296 7.946 803 HH21 ARG 107 2HH2 ARG 107 15.112 -5.576 8.758 804 HH22 ARG 107 1HH2 ARG 107 15.427 -3.899 9.045 805 H PHE 108 H PHE 108 10.188 -4.242 3.742 806 HA PHE 108 HA PHE 108 9.046 -5.871 5.712 807 HB2 PHE 108 1HB PHE 108 8.630 -3.511 5.759 808 HB3 PHE 108 2HB PHE 108 7.913 -3.547 4.152 809 HD1 PHE 108 2HD PHE 108 5.669 -4.441 3.811 810 HD2 PHE 108 1HD PHE 108 7.385 -4.167 7.697 811 HE1 PHE 108 2HE PHE 108 3.443 -4.749 4.812 812 HE2 PHE 108 1HE PHE 108 5.161 -4.475 8.704 813 HZ PHE 108 HZ PHE 108 3.187 -4.766 7.261 814 H VAL 109 H VAL 109 7.589 -5.013 2.569 815 HA VAL 109 HA VAL 109 5.510 -6.827 2.600 816 HB VAL 109 HB VAL 109 7.079 -5.826 0.222 817 HG11 VAL 109 1HG1 VAL 109 4.336 -7.077 0.231 818 HG12 VAL 109 2HG1 VAL 109 5.256 -6.527 -1.172 819 HG13 VAL 109 3HG1 VAL 109 5.812 -7.919 -0.242 820 HG21 VAL 109 1HG2 VAL 109 4.420 -4.911 1.306 821 HG22 VAL 109 2HG2 VAL 109 5.957 -4.121 1.656 822 HG23 VAL 109 3HG2 VAL 109 5.351 -4.178 0.000 823 H LEU 110 H LEU 110 8.832 -7.302 1.473 824 HA LEU 110 HA LEU 110 8.595 -9.810 0.326 825 HB2 LEU 110 1HB LEU 110 10.849 -8.537 1.852 826 HB3 LEU 110 2HB LEU 110 11.003 -10.114 1.079 827 HG LEU 110 HG LEU 110 10.260 -7.624 -0.440 828 HD11 LEU 110 1HD1 LEU 110 12.332 -6.891 -0.087 829 HD12 LEU 110 2HD1 LEU 110 12.868 -8.239 -1.090 830 HD13 LEU 110 3HD1 LEU 110 12.829 -8.408 0.664 831 HD21 LEU 110 1HD2 LEU 110 11.515 -9.238 -2.175 832 HD22 LEU 110 2HD2 LEU 110 9.774 -9.286 -1.894 833 HD23 LEU 110 3HD2 LEU 110 10.830 -10.449 -1.091 834 H SER 111 H SER 111 9.595 -9.118 3.683 835 HA SER 111 HA SER 111 9.522 -11.801 4.534 836 HB2 SER 111 1HB SER 111 10.640 -9.783 5.672 837 HB3 SER 111 2HB SER 111 9.052 -9.450 6.361 838 HG SER 111 HG SER 111 10.233 -10.736 7.778 839 H GLN 112 H GLN 112 7.120 -9.204 4.720 840 HA GLN 112 HA GLN 112 5.184 -10.395 6.264 841 HB2 GLN 112 1HB GLN 112 5.074 -8.467 3.980 842 HB3 GLN 112 2HB GLN 112 3.572 -9.114 4.624 843 HG2 GLN 112 1HG GLN 112 5.620 -7.423 6.008 844 HG3 GLN 112 2HG GLN 112 3.911 -7.089 5.744 845 HE21 GLN 112 1HE2 GLN 112 5.626 -7.244 8.193 846 HE22 GLN 112 2HE2 GLN 112 4.784 -8.321 9.249 847 H ALA 113 H ALA 113 5.333 -10.534 2.700 848 HA ALA 113 HA ALA 113 3.259 -12.255 2.216 849 HB1 ALA 113 1HB ALA 113 4.369 -12.863 0.150 850 HB2 ALA 113 2HB ALA 113 4.584 -11.142 0.468 851 HB3 ALA 113 3HB ALA 113 5.907 -12.266 0.774 852 H LYS 114 H LYS 114 6.655 -13.221 2.729 853 HA LYS 114 HA LYS 114 6.153 -15.992 2.737 854 HB2 LYS 114 1HB LYS 114 8.392 -16.152 3.843 855 HB3 LYS 114 2HB LYS 114 8.386 -15.206 2.360 856 HG2 LYS 114 1HG LYS 114 8.329 -13.145 3.684 857 HG3 LYS 114 2HG LYS 114 8.368 -14.107 5.165 858 HD2 LYS 114 1HD LYS 114 10.595 -13.460 4.820 859 HD3 LYS 114 2HD LYS 114 10.520 -15.124 4.235 860 HE2 LYS 114 1HE LYS 114 10.575 -14.460 1.994 861 HE3 LYS 114 2HE LYS 114 10.115 -12.802 2.380 862 HZ1 LYS 114 1HZ LYS 114 12.661 -13.751 1.994 863 HZ2 LYS 114 2HZ LYS 114 12.546 -13.528 3.667 864 HZ3 LYS 114 3HZ LYS 114 12.233 -12.238 2.618 865 H ASP 115 H ASP 115 4.902 -17.031 4.135 866 HA ASP 115 HA ASP 115 5.346 -16.690 6.982 867 HB2 ASP 115 1HB ASP 115 3.529 -15.051 6.272 868 HB3 ASP 115 2HB ASP 115 2.531 -16.460 5.922 869 H GLU 116 H GLU 116 5.057 -18.548 8.100 870 HA GLU 116 HA GLU 116 4.350 -20.914 6.549 871 HB2 GLU 116 1HB GLU 116 5.735 -20.466 9.177 872 HB3 GLU 116 2HB GLU 116 5.121 -22.057 8.748 873 HG2 GLU 116 1HG GLU 116 6.560 -22.214 6.881 874 HG3 GLU 116 2HG GLU 116 6.994 -20.509 6.984 875 H LEU 117 H LEU 117 2.208 -21.239 6.457 876 HA LEU 117 HA LEU 117 0.477 -20.634 8.681 877 HB2 LEU 117 1HB LEU 117 -1.309 -21.153 7.261 878 HB3 LEU 117 2HB LEU 117 -0.103 -20.391 6.226 879 HG LEU 117 HG LEU 117 0.576 -22.887 5.736 880 HD11 LEU 117 1HD1 LEU 117 -1.619 -23.279 7.412 881 HD12 LEU 117 2HD1 LEU 117 -0.805 -24.485 6.415 882 HD13 LEU 117 3HD1 LEU 117 -2.207 -23.622 5.785 883 HD21 LEU 117 1HD2 LEU 117 -0.567 -20.995 4.297 884 HD22 LEU 117 2HD2 LEU 117 -1.969 -22.056 4.437 885 HD23 LEU 117 3HD2 LEU 117 -0.475 -22.658 3.719 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -12.720 2.924 -18.598 2 HA2 GLY 1 1HA GLY 1 -12.381 3.865 -16.509 3 HA3 GLY 1 2HA GLY 1 -12.116 2.183 -16.075 4 H SER 2 H SER 2 -10.137 1.551 -15.423 5 HA SER 2 HA SER 2 -8.076 3.626 -15.288 6 HB2 SER 2 1HB SER 2 -8.551 2.695 -13.146 7 HB3 SER 2 2HB SER 2 -8.487 1.047 -13.770 8 HG SER 2 HG SER 2 -6.206 2.615 -14.073 9 H SER 3 H SER 3 -6.219 3.509 -16.387 10 HA SER 3 HA SER 3 -5.831 1.930 -18.586 11 HB2 SER 3 1HB SER 3 -3.589 2.705 -18.647 12 HB3 SER 3 2HB SER 3 -4.502 3.986 -17.850 13 HG SER 3 HG SER 3 -3.813 2.963 -15.833 14 H GLY 4 H GLY 4 -4.475 0.126 -19.057 15 HA2 GLY 4 1HA GLY 4 -4.838 -2.111 -17.494 16 HA3 GLY 4 2HA GLY 4 -3.555 -1.948 -18.684 17 H SER 5 H SER 5 -1.559 -0.837 -17.945 18 HA SER 5 HA SER 5 -1.017 -1.523 -15.131 19 HB2 SER 5 1HB SER 5 0.301 -2.914 -16.569 20 HB3 SER 5 2HB SER 5 0.795 -1.535 -17.551 21 HG SER 5 HG SER 5 1.410 -1.762 -14.796 22 H SER 6 H SER 6 -0.715 0.138 -13.819 23 HA SER 6 HA SER 6 -0.539 2.812 -14.717 24 HB2 SER 6 1HB SER 6 -0.233 3.386 -12.354 25 HB3 SER 6 2HB SER 6 -1.512 2.185 -12.535 26 HG SER 6 HG SER 6 1.098 1.868 -11.533 27 H GLY 7 H GLY 7 1.872 0.613 -13.304 28 HA2 GLY 7 1HA GLY 7 4.154 0.538 -13.735 29 HA3 GLY 7 2HA GLY 7 3.978 1.958 -14.755 30 H THR 8 H THR 8 2.462 3.045 -12.218 31 HA THR 8 HA THR 8 4.879 3.773 -10.702 32 HB THR 8 HB THR 8 3.882 6.068 -10.419 33 HG1 THR 8 1HG THR 8 2.371 5.588 -12.743 34 HG21 THR 8 1HG2 THR 8 4.377 5.537 -13.329 35 HG22 THR 8 2HG2 THR 8 5.669 5.337 -12.145 36 HG23 THR 8 3HG2 THR 8 4.890 6.907 -12.345 37 H VAL 9 H VAL 9 1.317 3.928 -10.671 38 HA VAL 9 HA VAL 9 1.227 2.722 -8.059 39 HB VAL 9 HB VAL 9 0.479 5.621 -8.415 40 HG11 VAL 9 1HG1 VAL 9 -0.308 3.762 -6.172 41 HG12 VAL 9 2HG1 VAL 9 -0.540 5.511 -6.183 42 HG13 VAL 9 3HG1 VAL 9 -1.395 4.500 -7.348 43 HG21 VAL 9 1HG2 VAL 9 2.705 5.465 -7.718 44 HG22 VAL 9 2HG2 VAL 9 1.807 5.725 -6.223 45 HG23 VAL 9 3HG2 VAL 9 2.370 4.108 -6.642 46 H LEU 10 H LEU 10 -0.735 1.796 -7.628 47 HA LEU 10 HA LEU 10 -2.679 1.870 -9.808 48 HB2 LEU 10 1HB LEU 10 -2.005 -0.050 -7.640 49 HB3 LEU 10 2HB LEU 10 -3.653 -0.048 -8.266 50 HG LEU 10 HG LEU 10 -2.330 -0.214 -10.581 51 HD11 LEU 10 1HD1 LEU 10 -0.133 -0.163 -9.448 52 HD12 LEU 10 2HD1 LEU 10 -0.393 -1.627 -10.394 53 HD13 LEU 10 3HD1 LEU 10 -0.548 -1.673 -8.637 54 HD21 LEU 10 1HD2 LEU 10 -2.709 -2.657 -8.874 55 HD22 LEU 10 2HD2 LEU 10 -2.900 -2.496 -10.620 56 HD23 LEU 10 3HD2 LEU 10 -4.067 -1.743 -9.531 57 H ALA 11 H ALA 11 -3.543 3.948 -9.250 58 HA ALA 11 HA ALA 11 -4.626 4.645 -6.776 59 HB1 ALA 11 1HB ALA 11 -4.859 5.606 -9.538 60 HB2 ALA 11 2HB ALA 11 -6.242 5.974 -8.506 61 HB3 ALA 11 3HB ALA 11 -4.625 6.502 -8.036 62 H LEU 12 H LEU 12 -5.780 2.964 -5.848 63 HA LEU 12 HA LEU 12 -7.906 1.621 -7.201 64 HB2 LEU 12 1HB LEU 12 -7.197 1.776 -4.275 65 HB3 LEU 12 2HB LEU 12 -8.427 0.711 -4.954 66 HG LEU 12 HG LEU 12 -5.516 0.582 -5.723 67 HD11 LEU 12 1HD1 LEU 12 -6.769 -1.424 -3.923 68 HD12 LEU 12 2HD1 LEU 12 -6.234 0.108 -3.231 69 HD13 LEU 12 3HD1 LEU 12 -5.081 -0.930 -4.072 70 HD21 LEU 12 1HD2 LEU 12 -7.840 -0.558 -6.815 71 HD22 LEU 12 2HD2 LEU 12 -7.014 -1.851 -5.947 72 HD23 LEU 12 3HD2 LEU 12 -6.162 -0.945 -7.198 73 H THR 13 H THR 13 -10.153 1.721 -6.682 74 HA THR 13 HA THR 13 -11.015 4.273 -5.491 75 HB THR 13 HB THR 13 -12.787 4.474 -7.148 76 HG1 THR 13 1HG THR 13 -13.224 2.906 -8.536 77 HG21 THR 13 1HG2 THR 13 -11.241 5.693 -8.206 78 HG22 THR 13 2HG2 THR 13 -10.953 4.285 -9.227 79 HG23 THR 13 3HG2 THR 13 -9.960 4.554 -7.794 80 H GLU 14 H GLU 14 -13.278 4.263 -4.749 81 HA GLU 14 HA GLU 14 -13.818 2.127 -3.041 82 HB2 GLU 14 1HB GLU 14 -15.412 4.456 -4.028 83 HB3 GLU 14 2HB GLU 14 -16.219 3.200 -3.102 84 HG2 GLU 14 1HG GLU 14 -15.649 4.591 -1.409 85 HG3 GLU 14 2HG GLU 14 -14.191 3.601 -1.460 86 H ASN 15 H ASN 15 -14.292 2.366 -6.378 87 HA ASN 15 HA ASN 15 -16.464 0.416 -6.433 88 HB2 ASN 15 1HB ASN 15 -15.216 2.254 -8.417 89 HB3 ASN 15 2HB ASN 15 -15.941 0.771 -9.028 90 HD21 ASN 15 1HD2 ASN 15 -16.773 3.494 -9.475 91 HD22 ASN 15 2HD2 ASN 15 -18.391 3.621 -8.882 92 H ASN 16 H ASN 16 -13.035 0.681 -7.041 93 HA ASN 16 HA ASN 16 -12.949 -2.223 -7.496 94 HB2 ASN 16 1HB ASN 16 -10.929 -1.723 -8.998 95 HB3 ASN 16 2HB ASN 16 -12.525 -1.377 -9.655 96 HD21 ASN 16 1HD2 ASN 16 -10.034 0.233 -7.706 97 HD22 ASN 16 2HD2 ASN 16 -10.129 1.749 -8.531 98 H PHE 17 H PHE 17 -12.641 -0.959 -5.016 99 HA PHE 17 HA PHE 17 -9.778 -0.832 -4.500 100 HB2 PHE 17 1HB PHE 17 -11.005 0.870 -3.388 101 HB3 PHE 17 2HB PHE 17 -12.211 -0.274 -2.810 102 HD1 PHE 17 1HD PHE 17 -11.627 -1.872 -1.006 103 HD2 PHE 17 2HD PHE 17 -9.009 1.269 -2.188 104 HE1 PHE 17 1HE PHE 17 -10.383 -2.121 1.102 105 HE2 PHE 17 2HE PHE 17 -7.760 1.025 -0.081 106 HZ PHE 17 HZ PHE 17 -8.446 -0.673 1.565 107 H ASP 18 H ASP 18 -12.602 -2.723 -3.480 108 HA ASP 18 HA ASP 18 -11.032 -4.544 -1.911 109 HB2 ASP 18 1HB ASP 18 -13.088 -5.716 -1.513 110 HB3 ASP 18 2HB ASP 18 -13.438 -3.991 -1.452 111 H ASP 19 H ASP 19 -12.843 -4.840 -4.966 112 HA ASP 19 HA ASP 19 -12.328 -7.413 -5.664 113 HB2 ASP 19 1HB ASP 19 -12.447 -4.919 -7.341 114 HB3 ASP 19 2HB ASP 19 -12.168 -6.494 -8.081 115 H THR 20 H THR 20 -10.109 -4.680 -5.974 116 HA THR 20 HA THR 20 -8.061 -5.996 -7.368 117 HB THR 20 HB THR 20 -7.829 -3.716 -5.393 118 HG1 THR 20 1HG THR 20 -9.181 -3.382 -7.294 119 HG21 THR 20 1HG2 THR 20 -5.759 -5.197 -6.315 120 HG22 THR 20 2HG2 THR 20 -5.646 -3.479 -5.930 121 HG23 THR 20 3HG2 THR 20 -5.892 -3.995 -7.598 122 H ILE 21 H ILE 21 -7.909 -5.079 -3.927 123 HA ILE 21 HA ILE 21 -5.795 -6.688 -3.207 124 HB ILE 21 HB ILE 21 -6.531 -6.511 -0.913 125 HG12 ILE 21 1HG1 ILE 21 -9.153 -5.425 -1.956 126 HG13 ILE 21 2HG1 ILE 21 -8.933 -7.085 -1.410 127 HG21 ILE 21 1HG2 ILE 21 -6.953 -4.039 -0.806 128 HG22 ILE 21 2HG2 ILE 21 -5.562 -4.519 -1.776 129 HG23 ILE 21 3HG2 ILE 21 -7.068 -4.053 -2.566 130 HD11 ILE 21 1HD1 ILE 21 -8.223 -6.159 0.804 131 HD12 ILE 21 2HD1 ILE 21 -8.726 -4.572 0.220 132 HD13 ILE 21 3HD1 ILE 21 -9.908 -5.871 0.370 133 H ALA 22 H ALA 22 -8.961 -7.639 -4.056 134 HA ALA 22 HA ALA 22 -9.235 -10.014 -2.575 135 HB1 ALA 22 1HB ALA 22 -10.857 -8.672 -4.228 136 HB2 ALA 22 2HB ALA 22 -10.344 -9.964 -5.314 137 HB3 ALA 22 3HB ALA 22 -11.119 -10.358 -3.780 138 H GLU 23 H GLU 23 -7.502 -9.271 -5.526 139 HA GLU 23 HA GLU 23 -6.761 -12.097 -5.819 140 HB2 GLU 23 1HB GLU 23 -6.375 -9.811 -7.760 141 HB3 GLU 23 2HB GLU 23 -6.005 -11.502 -8.069 142 HG2 GLU 23 1HG GLU 23 -8.774 -10.764 -7.275 143 HG3 GLU 23 2HG GLU 23 -8.234 -10.421 -8.917 144 H GLY 24 H GLY 24 -4.654 -12.770 -5.727 145 HA2 GLY 24 1HA GLY 24 -2.529 -12.725 -4.816 146 HA3 GLY 24 2HA GLY 24 -2.319 -11.426 -5.981 147 H ILE 25 H ILE 25 -0.771 -10.553 -4.463 148 HA ILE 25 HA ILE 25 -1.914 -9.414 -2.021 149 HB ILE 25 HB ILE 25 0.961 -9.472 -2.947 150 HG12 ILE 25 1HG1 ILE 25 -0.257 -11.061 -0.693 151 HG13 ILE 25 2HG1 ILE 25 -0.188 -11.685 -2.338 152 HG21 ILE 25 1HG2 ILE 25 -0.373 -7.993 -0.877 153 HG22 ILE 25 2HG2 ILE 25 0.804 -9.105 -0.176 154 HG23 ILE 25 3HG2 ILE 25 1.315 -7.930 -1.388 155 HD11 ILE 25 1HD1 ILE 25 2.354 -11.072 -2.112 156 HD12 ILE 25 2HD1 ILE 25 2.001 -11.219 -0.389 157 HD13 ILE 25 3HD1 ILE 25 1.714 -12.584 -1.468 158 H THR 26 H THR 26 -2.210 -7.275 -1.712 159 HA THR 26 HA THR 26 -1.221 -5.418 -3.766 160 HB THR 26 HB THR 26 -4.034 -5.478 -2.658 161 HG1 THR 26 1HG THR 26 -3.994 -6.864 -4.340 162 HG21 THR 26 1HG2 THR 26 -4.221 -3.604 -4.496 163 HG22 THR 26 2HG2 THR 26 -2.504 -3.399 -4.154 164 HG23 THR 26 3HG2 THR 26 -3.689 -3.212 -2.862 165 H PHE 27 H PHE 27 0.086 -4.041 -2.768 166 HA PHE 27 HA PHE 27 -0.333 -3.395 0.042 167 HB2 PHE 27 1HB PHE 27 1.940 -3.966 -1.092 168 HB3 PHE 27 2HB PHE 27 1.897 -2.294 -1.641 169 HD1 PHE 27 1HD PHE 27 0.855 -3.810 1.595 170 HD2 PHE 27 2HD PHE 27 3.500 -1.160 -0.429 171 HE1 PHE 27 1HE PHE 27 1.774 -3.081 3.757 172 HE2 PHE 27 2HE PHE 27 4.424 -0.429 1.730 173 HZ PHE 27 HZ PHE 27 3.562 -1.390 3.827 174 H ILE 28 H ILE 28 -1.694 -1.794 0.483 175 HA ILE 28 HA ILE 28 -1.858 0.491 -1.357 176 HB ILE 28 HB ILE 28 -3.761 -0.203 0.880 177 HG12 ILE 28 1HG1 ILE 28 -4.193 -0.687 -2.067 178 HG13 ILE 28 2HG1 ILE 28 -3.581 -1.929 -0.981 179 HG21 ILE 28 1HG2 ILE 28 -3.982 2.080 0.369 180 HG22 ILE 28 2HG2 ILE 28 -3.811 1.793 -1.362 181 HG23 ILE 28 3HG2 ILE 28 -5.277 1.284 -0.526 182 HD11 ILE 28 1HD1 ILE 28 -5.631 -1.710 0.367 183 HD12 ILE 28 2HD1 ILE 28 -6.245 -0.545 -0.807 184 HD13 ILE 28 3HD1 ILE 28 -5.944 -2.213 -1.294 185 H LYS 29 H LYS 29 -1.895 2.635 -0.520 186 HA LYS 29 HA LYS 29 -0.807 2.952 2.190 187 HB2 LYS 29 1HB LYS 29 1.069 3.071 0.616 188 HB3 LYS 29 2HB LYS 29 0.236 4.325 -0.294 189 HG2 LYS 29 1HG LYS 29 0.704 4.814 2.591 190 HG3 LYS 29 2HG LYS 29 2.098 4.874 1.508 191 HD2 LYS 29 1HD LYS 29 -0.450 6.403 1.014 192 HD3 LYS 29 2HD LYS 29 0.926 7.071 1.895 193 HE2 LYS 29 1HE LYS 29 1.431 5.854 -0.768 194 HE3 LYS 29 2HE LYS 29 0.619 7.418 -0.717 195 HZ1 LYS 29 1HZ LYS 29 3.315 6.720 0.276 196 HZ2 LYS 29 2HZ LYS 29 2.516 8.118 0.793 197 HZ3 LYS 29 3HZ LYS 29 2.883 7.910 -0.846 198 H PHE 30 H PHE 30 -2.179 4.166 3.300 199 HA PHE 30 HA PHE 30 -3.920 6.044 1.912 200 HB2 PHE 30 1HB PHE 30 -3.907 5.414 4.864 201 HB3 PHE 30 2HB PHE 30 -5.213 6.118 3.917 202 HD1 PHE 30 1HD PHE 30 -3.243 3.020 4.407 203 HD2 PHE 30 2HD PHE 30 -6.820 4.763 2.897 204 HE1 PHE 30 1HE PHE 30 -4.178 0.775 4.040 205 HE2 PHE 30 2HE PHE 30 -7.762 2.520 2.527 206 HZ PHE 30 HZ PHE 30 -6.441 0.522 3.100 207 H TYR 31 H TYR 31 -3.237 8.051 1.609 208 HA TYR 31 HA TYR 31 -1.770 9.382 3.783 209 HB2 TYR 31 1HB TYR 31 -0.234 10.384 2.272 210 HB3 TYR 31 2HB TYR 31 -0.272 8.672 1.862 211 HD1 TYR 31 1HD TYR 31 -1.289 7.913 -0.220 212 HD2 TYR 31 2HD TYR 31 -1.119 12.051 0.756 213 HE1 TYR 31 1HE TYR 31 -1.819 8.480 -2.555 214 HE2 TYR 31 2HE TYR 31 -1.650 12.629 -1.576 215 HH TYR 31 HH TYR 31 -1.324 10.665 -4.076 216 H ALA 32 H ALA 32 -1.573 11.879 2.940 217 HA ALA 32 HA ALA 32 -4.257 12.709 2.071 218 HB1 ALA 32 1HB ALA 32 -3.150 13.040 4.673 219 HB2 ALA 32 2HB ALA 32 -3.322 14.627 3.923 220 HB3 ALA 32 3HB ALA 32 -4.720 13.562 4.063 221 HA PRO 33 HA PRO 33 -1.871 15.180 -0.729 222 HB2 PRO 33 1HB PRO 33 -3.937 16.637 -1.721 223 HB3 PRO 33 2HB PRO 33 -3.641 14.954 -2.177 224 HG2 PRO 33 1HG PRO 33 -5.581 16.064 -0.186 225 HG3 PRO 33 2HG PRO 33 -5.822 14.784 -1.389 226 HD2 PRO 33 1HD PRO 33 -5.354 14.257 1.226 227 HD3 PRO 33 2HD PRO 33 -4.800 13.187 -0.078 228 H TRP 34 H TRP 34 -3.191 16.156 2.137 229 HA TRP 34 HA TRP 34 -2.436 18.971 1.714 230 HB2 TRP 34 1HB TRP 34 -3.829 19.461 3.714 231 HB3 TRP 34 2HB TRP 34 -4.753 18.756 2.390 232 HD1 TRP 34 HD TRP 34 -6.216 16.731 2.987 233 HE1 TRP 34 1HE TRP 34 -6.426 15.156 5.012 234 HE3 TRP 34 3HE TRP 34 -2.198 18.356 5.700 235 HZ2 TRP 34 2HZ TRP 34 -5.068 14.667 7.438 236 HZ3 TRP 34 3HZ TRP 34 -1.723 17.283 7.863 237 HH2 TRP 34 HH TRP 34 -3.130 15.477 8.713 238 H CYS 35 H CYS 35 -1.760 16.077 3.460 239 HA CYS 35 HA CYS 35 -0.287 17.305 5.587 240 HB2 CYS 35 1HB CYS 35 -1.280 15.122 5.935 241 HB3 CYS 35 2HB CYS 35 -0.366 14.452 4.588 242 HG CYS 35 HG CYS 35 1.170 15.713 7.367 243 H GLY 36 H GLY 36 1.591 18.304 5.304 244 HA2 GLY 36 1HA GLY 36 3.165 18.185 2.998 245 HA3 GLY 36 2HA GLY 36 3.705 18.789 4.557 246 H HIS 37 H HIS 37 3.455 16.398 6.038 247 HA HIS 37 HA HIS 37 5.941 15.210 5.557 248 HB2 HIS 37 1HB HIS 37 3.591 14.095 7.103 249 HB3 HIS 37 2HB HIS 37 5.250 13.517 7.212 250 HD1 HIS 37 1HD HIS 37 7.010 15.336 8.171 251 HD2 HIS 37 2HD HIS 37 2.982 16.128 8.808 252 HE1 HIS 37 1HE HIS 37 6.945 17.057 10.003 253 HE2 HIS 37 2HE HIS 37 4.496 17.458 10.431 254 H CYS 38 H CYS 38 2.668 14.056 4.799 255 HA CYS 38 HA CYS 38 3.343 11.576 3.736 256 HB2 CYS 38 1HB CYS 38 1.084 13.454 3.030 257 HB3 CYS 38 2HB CYS 38 1.202 11.807 2.424 258 HG CYS 38 HG CYS 38 0.126 10.662 4.453 259 H LYS 39 H LYS 39 3.693 14.754 2.402 260 HA LYS 39 HA LYS 39 3.870 14.083 -0.330 261 HB2 LYS 39 1HB LYS 39 5.353 16.339 1.017 262 HB3 LYS 39 2HB LYS 39 4.812 16.254 -0.654 263 HG2 LYS 39 1HG LYS 39 2.459 16.228 0.207 264 HG3 LYS 39 2HG LYS 39 3.116 16.567 1.810 265 HD2 LYS 39 1HD LYS 39 2.700 18.701 1.115 266 HD3 LYS 39 2HD LYS 39 4.342 18.511 0.496 267 HE2 LYS 39 1HE LYS 39 1.866 17.945 -1.124 268 HE3 LYS 39 2HE LYS 39 2.698 19.500 -1.123 269 HZ1 LYS 39 1HZ LYS 39 3.583 16.924 -2.220 270 HZ2 LYS 39 2HZ LYS 39 4.747 18.033 -1.695 271 HZ3 LYS 39 3HZ LYS 39 3.654 18.467 -2.911 272 H THR 40 H THR 40 6.118 13.820 2.301 273 HA THR 40 HA THR 40 8.492 13.614 0.751 274 HB THR 40 HB THR 40 8.331 14.097 3.256 275 HG1 THR 40 1HG THR 40 10.286 13.483 1.994 276 HG21 THR 40 1HG2 THR 40 7.633 12.525 4.678 277 HG22 THR 40 2HG2 THR 40 8.728 11.330 3.984 278 HG23 THR 40 3HG2 THR 40 7.131 11.576 3.280 279 H LEU 41 H LEU 41 5.947 11.418 1.523 280 HA LEU 41 HA LEU 41 7.542 9.114 0.670 281 HB2 LEU 41 1HB LEU 41 6.199 8.981 2.758 282 HB3 LEU 41 2HB LEU 41 4.742 9.174 1.785 283 HG LEU 41 HG LEU 41 5.361 7.051 0.601 284 HD11 LEU 41 1HD1 LEU 41 7.807 7.315 1.503 285 HD12 LEU 41 2HD1 LEU 41 7.101 5.716 1.267 286 HD13 LEU 41 3HD1 LEU 41 7.170 6.420 2.882 287 HD21 LEU 41 1HD2 LEU 41 3.656 6.792 2.145 288 HD22 LEU 41 2HD2 LEU 41 4.696 7.178 3.515 289 HD23 LEU 41 3HD2 LEU 41 4.851 5.620 2.701 290 H ALA 42 H ALA 42 5.459 11.397 -0.598 291 HA ALA 42 HA ALA 42 3.742 10.099 -2.294 292 HB1 ALA 42 1HB ALA 42 4.810 12.709 -2.068 293 HB2 ALA 42 2HB ALA 42 4.916 12.235 -3.764 294 HB3 ALA 42 3HB ALA 42 3.362 12.188 -2.930 295 HA PRO 43 HA PRO 43 7.164 9.707 -5.676 296 HB2 PRO 43 1HB PRO 43 9.715 10.295 -4.956 297 HB3 PRO 43 2HB PRO 43 8.595 11.504 -5.595 298 HG2 PRO 43 1HG PRO 43 9.354 10.939 -2.755 299 HG3 PRO 43 2HG PRO 43 9.156 12.501 -3.571 300 HD2 PRO 43 1HD PRO 43 7.250 11.444 -1.964 301 HD3 PRO 43 2HD PRO 43 6.861 12.457 -3.369 302 H THR 44 H THR 44 8.430 9.082 -2.411 303 HA THR 44 HA THR 44 9.968 6.833 -2.993 304 HB THR 44 HB THR 44 8.456 7.470 -0.453 305 HG1 THR 44 1HG THR 44 10.363 8.433 0.170 306 HG21 THR 44 1HG2 THR 44 10.263 5.994 0.568 307 HG22 THR 44 2HG2 THR 44 10.563 5.411 -1.068 308 HG23 THR 44 3HG2 THR 44 8.983 5.172 -0.322 309 H TRP 45 H TRP 45 6.517 7.164 -2.487 310 HA TRP 45 HA TRP 45 5.941 4.406 -2.176 311 HB2 TRP 45 1HB TRP 45 4.399 6.243 -1.508 312 HB3 TRP 45 2HB TRP 45 4.122 6.589 -3.212 313 HD1 TRP 45 HD TRP 45 1.996 5.521 -4.128 314 HE1 TRP 45 1HE TRP 45 0.557 3.467 -3.551 315 HE3 TRP 45 3HE TRP 45 4.804 3.611 -0.307 316 HZ2 TRP 45 2HZ TRP 45 0.605 1.321 -1.718 317 HZ3 TRP 45 3HZ TRP 45 4.037 1.555 0.807 318 HH2 TRP 45 HH TRP 45 1.981 0.435 0.114 319 H GLU 46 H GLU 46 5.839 6.581 -4.984 320 HA GLU 46 HA GLU 46 4.863 4.790 -6.868 321 HB2 GLU 46 1HB GLU 46 6.666 7.181 -7.062 322 HB3 GLU 46 2HB GLU 46 6.305 6.224 -8.492 323 HG2 GLU 46 1HG GLU 46 4.041 6.771 -8.436 324 HG3 GLU 46 2HG GLU 46 4.117 7.303 -6.757 325 H GLU 47 H GLU 47 8.250 5.484 -6.022 326 HA GLU 47 HA GLU 47 9.551 3.839 -7.787 327 HB2 GLU 47 1HB GLU 47 10.249 4.300 -4.882 328 HB3 GLU 47 2HB GLU 47 11.345 3.653 -6.095 329 HG2 GLU 47 1HG GLU 47 10.041 6.332 -6.418 330 HG3 GLU 47 2HG GLU 47 11.537 6.126 -5.510 331 H LEU 48 H LEU 48 8.246 2.931 -4.606 332 HA LEU 48 HA LEU 48 9.035 0.328 -4.416 333 HB2 LEU 48 1HB LEU 48 7.706 1.544 -2.732 334 HB3 LEU 48 2HB LEU 48 6.284 1.373 -3.759 335 HG LEU 48 HG LEU 48 6.478 -1.099 -3.501 336 HD11 LEU 48 1HD1 LEU 48 8.305 -2.001 -2.636 337 HD12 LEU 48 2HD1 LEU 48 8.005 -1.164 -1.113 338 HD13 LEU 48 3HD1 LEU 48 8.980 -0.394 -2.364 339 HD21 LEU 48 1HD2 LEU 48 5.975 0.761 -1.225 340 HD22 LEU 48 2HD2 LEU 48 5.916 -0.981 -0.945 341 HD23 LEU 48 3HD2 LEU 48 4.844 -0.241 -2.134 342 H SER 49 H SER 49 6.315 1.585 -6.298 343 HA SER 49 HA SER 49 5.226 -0.846 -7.128 344 HB2 SER 49 1HB SER 49 3.980 0.384 -8.671 345 HB3 SER 49 2HB SER 49 4.372 1.599 -7.454 346 HG SER 49 HG SER 49 5.230 2.663 -9.038 347 H LYS 50 H LYS 50 7.888 1.049 -8.448 348 HA LYS 50 HA LYS 50 8.244 -0.460 -10.812 349 HB2 LYS 50 1HB LYS 50 10.136 1.286 -9.234 350 HB3 LYS 50 2HB LYS 50 10.560 0.554 -10.776 351 HG2 LYS 50 1HG LYS 50 9.063 1.875 -11.959 352 HG3 LYS 50 2HG LYS 50 8.117 2.262 -10.520 353 HD2 LYS 50 1HD LYS 50 10.162 3.489 -9.670 354 HD3 LYS 50 2HD LYS 50 10.837 3.298 -11.291 355 HE2 LYS 50 1HE LYS 50 9.171 4.637 -12.260 356 HE3 LYS 50 2HE LYS 50 8.129 4.515 -10.843 357 HZ1 LYS 50 1HZ LYS 50 9.059 6.644 -10.756 358 HZ2 LYS 50 2HZ LYS 50 10.609 6.097 -11.155 359 HZ3 LYS 50 3HZ LYS 50 9.956 5.751 -9.634 360 H LYS 51 H LYS 51 9.341 -0.875 -7.523 361 HA LYS 51 HA LYS 51 11.438 -2.660 -7.878 362 HB2 LYS 51 1HB LYS 51 9.373 -2.670 -5.669 363 HB3 LYS 51 2HB LYS 51 10.949 -3.449 -5.605 364 HG2 LYS 51 1HG LYS 51 10.711 -0.506 -6.095 365 HG3 LYS 51 2HG LYS 51 10.646 -1.169 -4.460 366 HD2 LYS 51 1HD LYS 51 12.873 -1.854 -6.357 367 HD3 LYS 51 2HD LYS 51 12.924 -0.406 -5.348 368 HE2 LYS 51 1HE LYS 51 12.639 -1.819 -3.351 369 HE3 LYS 51 2HE LYS 51 12.647 -3.251 -4.379 370 HZ1 LYS 51 1HZ LYS 51 14.900 -1.350 -4.456 371 HZ2 LYS 51 2HZ LYS 51 14.876 -2.991 -4.865 372 HZ3 LYS 51 3HZ LYS 51 14.817 -2.525 -3.241 373 H GLU 52 H GLU 52 11.477 -5.001 -7.525 374 HA GLU 52 HA GLU 52 9.027 -6.358 -8.419 375 HB2 GLU 52 1HB GLU 52 11.741 -7.216 -9.384 376 HB3 GLU 52 2HB GLU 52 10.162 -7.636 -10.031 377 HG2 GLU 52 1HG GLU 52 11.055 -4.795 -10.082 378 HG3 GLU 52 2HG GLU 52 11.689 -5.933 -11.270 379 H PHE 53 H PHE 53 8.434 -7.707 -6.866 380 HA PHE 53 HA PHE 53 10.321 -8.702 -4.930 381 HB2 PHE 53 1HB PHE 53 7.420 -9.487 -5.214 382 HB3 PHE 53 2HB PHE 53 8.426 -9.593 -3.774 383 HD1 PHE 53 1HD PHE 53 6.732 -7.251 -6.067 384 HD2 PHE 53 2HD PHE 53 8.669 -7.760 -2.313 385 HE1 PHE 53 1HE PHE 53 5.961 -5.021 -5.372 386 HE2 PHE 53 2HE PHE 53 7.901 -5.531 -1.610 387 HZ PHE 53 HZ PHE 53 6.545 -4.159 -3.140 388 HA PRO 54 HA PRO 54 11.207 -12.301 -7.440 389 HB2 PRO 54 1HB PRO 54 13.089 -13.312 -5.763 390 HB3 PRO 54 2HB PRO 54 13.411 -11.976 -6.876 391 HG2 PRO 54 1HG PRO 54 12.786 -11.895 -3.949 392 HG3 PRO 54 2HG PRO 54 13.998 -10.976 -4.860 393 HD2 PRO 54 1HD PRO 54 11.615 -9.919 -4.130 394 HD3 PRO 54 2HD PRO 54 12.450 -9.449 -5.624 395 H GLY 55 H GLY 55 10.775 -14.515 -7.307 396 HA2 GLY 55 1HA GLY 55 9.346 -16.224 -6.651 397 HA3 GLY 55 2HA GLY 55 10.390 -16.182 -5.238 398 H LEU 56 H LEU 56 8.307 -13.504 -6.030 399 HA LEU 56 HA LEU 56 6.531 -14.273 -3.809 400 HB2 LEU 56 1HB LEU 56 7.932 -11.720 -4.389 401 HB3 LEU 56 2HB LEU 56 6.309 -11.629 -3.706 402 HG LEU 56 HG LEU 56 8.586 -13.137 -2.431 403 HD11 LEU 56 1HD1 LEU 56 9.226 -10.847 -2.436 404 HD12 LEU 56 2HD1 LEU 56 8.603 -11.213 -0.828 405 HD13 LEU 56 3HD1 LEU 56 7.603 -10.329 -1.980 406 HD21 LEU 56 1HD2 LEU 56 5.846 -12.324 -1.477 407 HD22 LEU 56 2HD2 LEU 56 7.111 -12.970 -0.431 408 HD23 LEU 56 3HD2 LEU 56 6.449 -13.962 -1.731 409 H ALA 57 H ALA 57 4.351 -13.535 -3.940 410 HA ALA 57 HA ALA 57 3.191 -13.788 -6.483 411 HB1 ALA 57 1HB ALA 57 1.098 -13.010 -5.335 412 HB2 ALA 57 2HB ALA 57 1.903 -14.385 -4.577 413 HB3 ALA 57 3HB ALA 57 2.069 -12.772 -3.882 414 H GLY 58 H GLY 58 2.028 -12.259 -7.751 415 HA2 GLY 58 1HA GLY 58 3.374 -9.915 -8.351 416 HA3 GLY 58 2HA GLY 58 1.704 -10.238 -8.793 417 H VAL 59 H VAL 59 3.804 -8.844 -6.347 418 HA VAL 59 HA VAL 59 1.713 -7.846 -4.693 419 HB VAL 59 HB VAL 59 4.572 -6.890 -4.916 420 HG11 VAL 59 1HG1 VAL 59 4.188 -5.460 -3.240 421 HG12 VAL 59 2HG1 VAL 59 2.481 -5.655 -3.640 422 HG13 VAL 59 3HG1 VAL 59 3.203 -6.623 -2.354 423 HG21 VAL 59 1HG2 VAL 59 4.341 -8.323 -2.587 424 HG22 VAL 59 2HG2 VAL 59 3.361 -9.259 -3.715 425 HG23 VAL 59 3HG2 VAL 59 5.049 -8.915 -4.090 426 H LYS 60 H LYS 60 0.241 -6.527 -5.595 427 HA LYS 60 HA LYS 60 0.990 -4.513 -7.525 428 HB2 LYS 60 1HB LYS 60 -1.614 -5.341 -6.264 429 HB3 LYS 60 2HB LYS 60 -1.498 -3.899 -7.265 430 HG2 LYS 60 1HG LYS 60 -0.955 -5.144 -9.182 431 HG3 LYS 60 2HG LYS 60 -0.607 -6.595 -8.240 432 HD2 LYS 60 1HD LYS 60 -3.342 -5.370 -8.206 433 HD3 LYS 60 2HD LYS 60 -2.850 -6.435 -9.526 434 HE2 LYS 60 1HE LYS 60 -2.394 -7.336 -6.727 435 HE3 LYS 60 2HE LYS 60 -4.039 -7.369 -7.359 436 HZ1 LYS 60 1HZ LYS 60 -3.327 -9.418 -7.990 437 HZ2 LYS 60 2HZ LYS 60 -1.710 -8.951 -8.153 438 HZ3 LYS 60 3HZ LYS 60 -2.831 -8.549 -9.353 439 H ILE 61 H ILE 61 1.316 -2.396 -7.169 440 HA ILE 61 HA ILE 61 1.129 -1.456 -4.394 441 HB ILE 61 HB ILE 61 2.718 -0.383 -6.725 442 HG12 ILE 61 1HG1 ILE 61 3.815 -2.300 -5.893 443 HG13 ILE 61 2HG1 ILE 61 4.625 -0.948 -5.109 444 HG21 ILE 61 1HG2 ILE 61 2.206 1.546 -5.554 445 HG22 ILE 61 2HG2 ILE 61 2.203 0.722 -3.996 446 HG23 ILE 61 3HG2 ILE 61 3.728 1.049 -4.817 447 HD11 ILE 61 1HD1 ILE 61 2.765 -2.969 -3.953 448 HD12 ILE 61 2HD1 ILE 61 4.341 -2.426 -3.374 449 HD13 ILE 61 3HD1 ILE 61 2.929 -1.385 -3.196 450 H ALA 62 H ALA 62 -0.648 -0.346 -3.936 451 HA ALA 62 HA ALA 62 -1.730 1.481 -5.983 452 HB1 ALA 62 1HB ALA 62 -3.920 1.144 -4.653 453 HB2 ALA 62 2HB ALA 62 -3.394 -0.121 -5.765 454 HB3 ALA 62 3HB ALA 62 -3.130 -0.304 -4.030 455 H GLU 63 H GLU 63 -3.309 3.112 -4.760 456 HA GLU 63 HA GLU 63 -2.226 4.012 -2.224 457 HB2 GLU 63 1HB GLU 63 -1.281 5.988 -2.905 458 HB3 GLU 63 2HB GLU 63 -0.901 4.979 -4.293 459 HG2 GLU 63 1HG GLU 63 -2.819 5.877 -5.490 460 HG3 GLU 63 2HG GLU 63 -3.232 6.872 -4.094 461 H VAL 64 H VAL 64 -3.560 5.507 -1.146 462 HA VAL 64 HA VAL 64 -6.083 6.236 -2.434 463 HB VAL 64 HB VAL 64 -5.895 4.679 0.145 464 HG11 VAL 64 1HG1 VAL 64 -8.444 4.903 0.048 465 HG12 VAL 64 2HG1 VAL 64 -7.520 6.300 0.604 466 HG13 VAL 64 3HG1 VAL 64 -8.154 6.259 -1.042 467 HG21 VAL 64 1HG2 VAL 64 -7.357 3.090 -1.015 468 HG22 VAL 64 2HG2 VAL 64 -7.297 4.094 -2.464 469 HG23 VAL 64 3HG2 VAL 64 -5.831 3.312 -1.873 470 H ASP 65 H ASP 65 -6.773 8.215 -1.876 471 HA ASP 65 HA ASP 65 -5.210 9.691 0.098 472 HB2 ASP 65 1HB ASP 65 -7.248 10.646 -1.925 473 HB3 ASP 65 2HB ASP 65 -6.305 11.690 -0.864 474 H CYS 66 H CYS 66 -6.072 10.699 1.883 475 HA CYS 66 HA CYS 66 -8.615 9.621 2.808 476 HB2 CYS 66 1HB CYS 66 -6.377 11.116 4.170 477 HB3 CYS 66 2HB CYS 66 -7.911 10.788 4.972 478 H THR 67 H THR 67 -8.261 11.847 0.764 479 HA THR 67 HA THR 67 -9.932 13.857 2.128 480 HB THR 67 HB THR 67 -9.129 15.478 0.399 481 HG1 THR 67 1HG THR 67 -7.054 13.616 -0.123 482 HG21 THR 67 1HG2 THR 67 -7.128 14.198 2.255 483 HG22 THR 67 2HG2 THR 67 -8.122 15.626 2.547 484 HG23 THR 67 3HG2 THR 67 -6.806 15.692 1.376 485 H ALA 68 H ALA 68 -9.505 11.828 -0.677 486 HA ALA 68 HA ALA 68 -12.081 12.770 -1.749 487 HB1 ALA 68 1HB ALA 68 -11.016 11.213 -3.724 488 HB2 ALA 68 2HB ALA 68 -10.874 12.968 -3.623 489 HB3 ALA 68 3HB ALA 68 -9.577 11.942 -3.010 490 H GLU 69 H GLU 69 -10.228 9.924 -0.818 491 HA GLU 69 HA GLU 69 -12.625 8.263 -1.196 492 HB2 GLU 69 1HB GLU 69 -9.695 7.582 -1.020 493 HB3 GLU 69 2HB GLU 69 -10.947 6.358 -0.857 494 HG2 GLU 69 1HG GLU 69 -11.712 6.712 -3.067 495 HG3 GLU 69 2HG GLU 69 -10.744 8.175 -3.239 496 H ARG 70 H ARG 70 -12.117 10.117 1.055 497 HA ARG 70 HA ARG 70 -11.261 9.133 3.402 498 HB2 ARG 70 1HB ARG 70 -13.718 10.714 2.739 499 HB3 ARG 70 2HB ARG 70 -13.428 10.211 4.399 500 HG2 ARG 70 1HG ARG 70 -11.407 11.445 4.513 501 HG3 ARG 70 2HG ARG 70 -11.419 11.746 2.774 502 HD2 ARG 70 1HD ARG 70 -12.198 13.750 3.619 503 HD3 ARG 70 2HD ARG 70 -13.696 12.897 3.249 504 HE ARG 70 HE ARG 70 -12.684 13.592 5.866 505 HH11 ARG 70 2HH1 ARG 70 -14.881 11.613 4.030 506 HH12 ARG 70 1HH1 ARG 70 -15.943 11.322 5.367 507 HH21 ARG 70 2HH2 ARG 70 -14.074 13.217 7.634 508 HH22 ARG 70 1HH2 ARG 70 -15.483 12.236 7.417 509 H ASN 71 H ASN 71 -14.477 8.406 2.048 510 HA ASN 71 HA ASN 71 -15.646 6.848 3.864 511 HB2 ASN 71 1HB ASN 71 -15.443 6.586 0.903 512 HB3 ASN 71 2HB ASN 71 -16.171 5.252 1.792 513 HD21 ASN 71 1HD2 ASN 71 -17.722 6.498 0.039 514 HD22 ASN 71 2HD2 ASN 71 -18.884 7.504 0.827 515 H ILE 72 H ILE 72 -12.942 5.795 1.836 516 HA ILE 72 HA ILE 72 -12.861 3.163 2.981 517 HB ILE 72 HB ILE 72 -10.752 4.576 1.344 518 HG12 ILE 72 1HG1 ILE 72 -12.887 2.641 0.426 519 HG13 ILE 72 2HG1 ILE 72 -12.981 4.386 0.225 520 HG21 ILE 72 1HG2 ILE 72 -11.112 1.615 1.515 521 HG22 ILE 72 2HG2 ILE 72 -9.677 2.547 1.090 522 HG23 ILE 72 3HG2 ILE 72 -10.214 2.470 2.768 523 HD11 ILE 72 1HD1 ILE 72 -12.175 2.947 -1.742 524 HD12 ILE 72 2HD1 ILE 72 -11.288 4.420 -1.352 525 HD13 ILE 72 3HD1 ILE 72 -10.655 2.851 -0.852 526 H CYS 73 H CYS 73 -10.795 6.055 3.218 527 HA CYS 73 HA CYS 73 -8.881 5.121 4.963 528 HB2 CYS 73 1HB CYS 73 -10.046 7.799 4.395 529 HB3 CYS 73 2HB CYS 73 -9.062 7.639 5.846 530 H SER 74 H SER 74 -11.954 6.703 5.825 531 HA SER 74 HA SER 74 -11.704 6.563 8.587 532 HB2 SER 74 1HB SER 74 -13.484 7.797 7.287 533 HB3 SER 74 2HB SER 74 -14.306 6.250 7.078 534 HG SER 74 HG SER 74 -15.139 7.299 8.881 535 H LYS 75 H LYS 75 -12.983 4.175 6.313 536 HA LYS 75 HA LYS 75 -13.958 2.314 8.147 537 HB2 LYS 75 1HB LYS 75 -14.500 2.036 5.847 538 HB3 LYS 75 2HB LYS 75 -12.805 1.987 5.380 539 HG2 LYS 75 1HG LYS 75 -13.802 -0.097 7.245 540 HG3 LYS 75 2HG LYS 75 -14.263 -0.200 5.545 541 HD2 LYS 75 1HD LYS 75 -12.067 -0.463 4.835 542 HD3 LYS 75 2HD LYS 75 -11.402 0.232 6.315 543 HE2 LYS 75 1HE LYS 75 -10.984 -2.099 6.411 544 HE3 LYS 75 2HE LYS 75 -12.306 -1.777 7.533 545 HZ1 LYS 75 1HZ LYS 75 -13.589 -2.312 5.212 546 HZ2 LYS 75 2HZ LYS 75 -13.339 -3.420 6.464 547 HZ3 LYS 75 3HZ LYS 75 -12.278 -3.380 5.147 548 H TYR 76 H TYR 76 -10.695 2.844 6.937 549 HA TYR 76 HA TYR 76 -9.685 0.569 8.455 550 HB2 TYR 76 1HB TYR 76 -8.418 2.470 6.488 551 HB3 TYR 76 2HB TYR 76 -7.468 1.327 7.431 552 HD1 TYR 76 1HD TYR 76 -8.028 -1.156 7.207 553 HD2 TYR 76 2HD TYR 76 -9.452 1.798 4.496 554 HE1 TYR 76 1HE TYR 76 -8.468 -2.908 5.537 555 HE2 TYR 76 2HE TYR 76 -9.897 0.055 2.820 556 HH TYR 76 HH TYR 76 -8.642 -2.718 2.674 557 H SER 77 H SER 77 -10.789 3.022 9.729 558 HA SER 77 HA SER 77 -10.237 4.632 11.282 559 HB2 SER 77 1HB SER 77 -10.189 2.360 12.443 560 HB3 SER 77 2HB SER 77 -8.431 2.458 12.345 561 HG SER 77 HG SER 77 -8.424 4.106 13.744 562 H VAL 78 H VAL 78 -8.551 4.700 8.912 563 HA VAL 78 HA VAL 78 -5.842 5.136 9.710 564 HB VAL 78 HB VAL 78 -7.165 6.171 7.204 565 HG11 VAL 78 1HG1 VAL 78 -4.716 6.745 8.097 566 HG12 VAL 78 2HG1 VAL 78 -4.362 5.221 7.280 567 HG13 VAL 78 3HG1 VAL 78 -5.087 6.557 6.383 568 HG21 VAL 78 1HG2 VAL 78 -6.896 4.131 6.154 569 HG22 VAL 78 2HG2 VAL 78 -5.714 3.560 7.331 570 HG23 VAL 78 3HG2 VAL 78 -7.421 3.642 7.765 571 H ARG 79 H ARG 79 -5.433 6.720 11.133 572 HA ARG 79 HA ARG 79 -6.529 9.394 10.550 573 HB2 ARG 79 1HB ARG 79 -6.038 8.019 13.182 574 HB3 ARG 79 2HB ARG 79 -6.140 9.772 13.068 575 HG2 ARG 79 1HG ARG 79 -8.394 9.409 11.947 576 HG3 ARG 79 2HG ARG 79 -8.274 7.741 12.510 577 HD2 ARG 79 1HD ARG 79 -9.485 8.820 14.189 578 HD3 ARG 79 2HD ARG 79 -7.840 8.756 14.822 579 HE ARG 79 HE ARG 79 -7.800 11.036 14.801 580 HH11 ARG 79 2HH1 ARG 79 -10.331 9.945 12.672 581 HH12 ARG 79 1HH1 ARG 79 -10.935 11.539 12.362 582 HH21 ARG 79 2HH2 ARG 79 -8.588 13.139 14.401 583 HH22 ARG 79 1HH2 ARG 79 -9.943 13.355 13.346 584 H GLY 80 H GLY 80 -3.745 7.484 11.459 585 HA2 GLY 80 1HA GLY 80 -2.064 9.898 11.458 586 HA3 GLY 80 2HA GLY 80 -1.602 8.334 12.113 587 H TYR 81 H TYR 81 -1.559 10.385 9.388 588 HA TYR 81 HA TYR 81 -0.646 8.229 7.625 589 HB2 TYR 81 1HB TYR 81 -0.903 11.041 6.669 590 HB3 TYR 81 2HB TYR 81 -1.239 9.533 5.825 591 HD1 TYR 81 1HD TYR 81 -3.239 8.142 7.067 592 HD2 TYR 81 2HD TYR 81 -2.737 12.367 7.071 593 HE1 TYR 81 1HE TYR 81 -5.642 8.421 7.516 594 HE2 TYR 81 2HE TYR 81 -5.138 12.658 7.520 595 HH TYR 81 HH TYR 81 -7.179 11.542 7.409 596 HA PRO 82 HA PRO 82 0.389 8.449 5.495 597 HB2 PRO 82 1HB PRO 82 2.493 6.846 4.881 598 HB3 PRO 82 2HB PRO 82 2.352 8.510 4.300 599 HG2 PRO 82 1HG PRO 82 3.939 7.434 6.600 600 HG3 PRO 82 2HG PRO 82 4.409 8.630 5.378 601 HD2 PRO 82 1HD PRO 82 3.612 9.330 7.869 602 HD3 PRO 82 2HD PRO 82 3.300 10.345 6.447 603 H THR 83 H THR 83 -0.298 6.267 5.219 604 HA THR 83 HA THR 83 0.189 4.495 7.517 605 HB THR 83 HB THR 83 -2.517 4.936 6.240 606 HG1 THR 83 1HG THR 83 -1.844 5.593 8.906 607 HG21 THR 83 1HG2 THR 83 -2.118 3.544 8.841 608 HG22 THR 83 2HG2 THR 83 -1.744 2.662 7.360 609 HG23 THR 83 3HG2 THR 83 -3.363 3.312 7.614 610 H LEU 84 H LEU 84 0.798 2.516 6.940 611 HA LEU 84 HA LEU 84 0.244 1.636 4.184 612 HB2 LEU 84 1HB LEU 84 2.464 0.570 5.892 613 HB3 LEU 84 2HB LEU 84 2.286 0.493 4.140 614 HG LEU 84 HG LEU 84 2.782 3.063 5.630 615 HD11 LEU 84 1HD1 LEU 84 4.695 1.003 4.611 616 HD12 LEU 84 2HD1 LEU 84 4.716 1.895 6.131 617 HD13 LEU 84 3HD1 LEU 84 5.138 2.710 4.625 618 HD21 LEU 84 1HD2 LEU 84 3.588 3.764 3.369 619 HD22 LEU 84 2HD2 LEU 84 1.859 3.425 3.458 620 HD23 LEU 84 3HD2 LEU 84 2.954 2.245 2.735 621 H LEU 85 H LEU 85 -0.663 -0.332 3.838 622 HA LEU 85 HA LEU 85 -0.900 -2.245 6.009 623 HB2 LEU 85 1HB LEU 85 -3.288 -0.938 4.721 624 HB3 LEU 85 2HB LEU 85 -3.372 -2.413 5.681 625 HG LEU 85 HG LEU 85 -2.362 0.210 6.765 626 HD11 LEU 85 1HD1 LEU 85 -4.607 0.643 6.174 627 HD12 LEU 85 2HD1 LEU 85 -4.617 0.275 7.897 628 HD13 LEU 85 3HD1 LEU 85 -5.140 -0.943 6.734 629 HD21 LEU 85 1HD2 LEU 85 -3.393 -2.238 8.187 630 HD22 LEU 85 2HD2 LEU 85 -2.641 -0.814 8.907 631 HD23 LEU 85 3HD2 LEU 85 -1.684 -1.905 7.903 632 H LEU 86 H LEU 86 -0.666 -4.237 5.235 633 HA LEU 86 HA LEU 86 -0.804 -4.644 2.349 634 HB2 LEU 86 1HB LEU 86 1.184 -5.357 3.682 635 HB3 LEU 86 2HB LEU 86 0.156 -6.543 4.483 636 HG LEU 86 HG LEU 86 -0.278 -7.446 2.105 637 HD11 LEU 86 1HD1 LEU 86 0.594 -5.915 0.634 638 HD12 LEU 86 2HD1 LEU 86 1.928 -7.060 0.758 639 HD13 LEU 86 3HD1 LEU 86 1.978 -5.547 1.665 640 HD21 LEU 86 1HD2 LEU 86 1.663 -7.988 4.077 641 HD22 LEU 86 2HD2 LEU 86 2.462 -8.143 2.513 642 HD23 LEU 86 3HD2 LEU 86 1.011 -9.085 2.859 643 H PHE 87 H PHE 87 -2.010 -6.297 1.382 644 HA PHE 87 HA PHE 87 -4.043 -7.584 3.066 645 HB2 PHE 87 1HB PHE 87 -4.547 -6.136 0.459 646 HB3 PHE 87 2HB PHE 87 -5.729 -7.152 1.279 647 HD1 PHE 87 1HD PHE 87 -3.683 -4.088 1.653 648 HD2 PHE 87 2HD PHE 87 -7.067 -6.294 2.992 649 HE1 PHE 87 1HE PHE 87 -4.413 -2.152 2.985 650 HE2 PHE 87 2HE PHE 87 -7.804 -4.362 4.326 651 HZ PHE 87 HZ PHE 87 -6.477 -2.287 4.322 652 H ARG 88 H ARG 88 -4.137 -9.704 2.752 653 HA ARG 88 HA ARG 88 -3.208 -10.785 0.173 654 HB2 ARG 88 1HB ARG 88 -1.515 -11.244 1.835 655 HB3 ARG 88 2HB ARG 88 -2.720 -11.876 2.948 656 HG2 ARG 88 1HG ARG 88 -2.952 -13.853 1.793 657 HG3 ARG 88 2HG ARG 88 -2.384 -13.153 0.275 658 HD2 ARG 88 1HD ARG 88 -0.180 -13.394 0.829 659 HD3 ARG 88 2HD ARG 88 -0.488 -13.247 2.559 660 HE ARG 88 HE ARG 88 -1.652 -15.615 1.846 661 HH11 ARG 88 2HH1 ARG 88 1.540 -14.248 1.581 662 HH12 ARG 88 1HH1 ARG 88 2.345 -15.779 1.683 663 HH21 ARG 88 2HH2 ARG 88 -0.602 -17.636 1.981 664 HH22 ARG 88 1HH2 ARG 88 1.126 -17.705 1.909 665 H GLY 89 H GLY 89 -4.818 -11.734 -0.877 666 HA2 GLY 89 1HA GLY 89 -6.445 -13.412 -1.168 667 HA3 GLY 89 2HA GLY 89 -6.625 -13.510 0.577 668 H GLY 90 H GLY 90 -6.847 -10.526 0.736 669 HA2 GLY 90 1HA GLY 90 -8.662 -9.148 -0.539 670 HA3 GLY 90 2HA GLY 90 -9.705 -10.421 0.077 671 H LYS 91 H LYS 91 -7.509 -10.211 2.409 672 HA LYS 91 HA LYS 91 -8.870 -7.998 3.799 673 HB2 LYS 91 1HB LYS 91 -8.919 -9.268 5.832 674 HB3 LYS 91 2HB LYS 91 -9.639 -10.252 4.564 675 HG2 LYS 91 1HG LYS 91 -7.941 -11.769 4.580 676 HG3 LYS 91 2HG LYS 91 -6.739 -10.584 5.097 677 HD2 LYS 91 1HD LYS 91 -7.105 -12.104 6.909 678 HD3 LYS 91 2HD LYS 91 -7.840 -10.558 7.340 679 HE2 LYS 91 1HE LYS 91 -9.409 -12.202 7.959 680 HE3 LYS 91 2HE LYS 91 -10.017 -11.508 6.457 681 HZ1 LYS 91 1HZ LYS 91 -10.227 -13.702 5.981 682 HZ2 LYS 91 2HZ LYS 91 -8.939 -14.176 6.969 683 HZ3 LYS 91 3HZ LYS 91 -8.634 -13.492 5.453 684 H LYS 92 H LYS 92 -7.629 -7.124 5.644 685 HA LYS 92 HA LYS 92 -5.037 -6.383 4.886 686 HB2 LYS 92 1HB LYS 92 -4.894 -5.245 6.979 687 HB3 LYS 92 2HB LYS 92 -6.564 -5.123 6.438 688 HG2 LYS 92 1HG LYS 92 -7.042 -7.119 7.924 689 HG3 LYS 92 2HG LYS 92 -5.435 -6.865 8.608 690 HD2 LYS 92 1HD LYS 92 -6.887 -5.704 10.042 691 HD3 LYS 92 2HD LYS 92 -6.180 -4.455 9.014 692 HE2 LYS 92 1HE LYS 92 -8.478 -3.963 9.104 693 HE3 LYS 92 2HE LYS 92 -8.228 -4.729 7.536 694 HZ1 LYS 92 1HZ LYS 92 -8.794 -6.822 9.149 695 HZ2 LYS 92 2HZ LYS 92 -9.907 -6.041 8.143 696 HZ3 LYS 92 3HZ LYS 92 -9.798 -5.614 9.776 697 H VAL 93 H VAL 93 -3.023 -6.763 6.066 698 HA VAL 93 HA VAL 93 -2.890 -9.478 7.206 699 HB VAL 93 HB VAL 93 -0.822 -8.140 5.456 700 HG11 VAL 93 1HG1 VAL 93 0.206 -10.470 5.546 701 HG12 VAL 93 2HG1 VAL 93 0.367 -9.468 6.989 702 HG13 VAL 93 3HG1 VAL 93 -0.839 -10.754 6.937 703 HG21 VAL 93 1HG2 VAL 93 -1.380 -9.758 3.785 704 HG22 VAL 93 2HG2 VAL 93 -2.491 -10.583 4.879 705 HG23 VAL 93 3HG2 VAL 93 -2.872 -8.964 4.290 706 H SER 94 H SER 94 -0.936 -6.502 6.934 707 HA SER 94 HA SER 94 -0.665 -6.375 9.813 708 HB2 SER 94 1HB SER 94 1.155 -7.945 8.948 709 HB3 SER 94 2HB SER 94 1.860 -6.531 8.165 710 HG SER 94 HG SER 94 2.822 -6.663 10.135 711 H GLU 95 H GLU 95 0.802 -4.451 10.405 712 HA GLU 95 HA GLU 95 0.373 -2.290 8.447 713 HB2 GLU 95 1HB GLU 95 -1.153 -2.226 10.446 714 HB3 GLU 95 2HB GLU 95 0.271 -1.997 11.451 715 HG2 GLU 95 1HG GLU 95 0.777 0.076 10.261 716 HG3 GLU 95 2HG GLU 95 -0.656 -0.152 9.259 717 H HIS 96 H HIS 96 2.334 -1.890 7.627 718 HA HIS 96 HA HIS 96 4.806 -2.366 8.689 719 HB2 HIS 96 1HB HIS 96 4.279 -1.558 6.358 720 HB3 HIS 96 2HB HIS 96 4.171 0.070 7.019 721 HD1 HIS 96 1HD HIS 96 6.649 -0.074 8.903 722 HD2 HIS 96 2HD HIS 96 6.599 -1.296 4.932 723 HE1 HIS 96 1HE HIS 96 9.042 0.033 8.137 724 HE2 HIS 96 2HE HIS 96 8.975 -0.628 5.707 725 H SER 97 H SER 97 5.320 -1.877 10.743 726 HA SER 97 HA SER 97 4.913 0.893 11.652 727 HB2 SER 97 1HB SER 97 5.082 0.003 13.943 728 HB3 SER 97 2HB SER 97 3.795 -0.797 13.041 729 HG SER 97 HG SER 97 4.833 -2.620 13.199 730 H GLY 98 H GLY 98 6.850 1.472 10.414 731 HA2 GLY 98 1HA GLY 98 9.091 1.837 12.006 732 HA3 GLY 98 2HA GLY 98 9.399 0.393 11.051 733 H GLY 99 H GLY 99 11.180 1.589 10.123 734 HA2 GLY 99 1HA GLY 99 11.251 3.956 8.841 735 HA3 GLY 99 2HA GLY 99 12.029 2.526 8.179 736 H ARG 100 H ARG 100 10.489 4.925 7.041 737 HA ARG 100 HA ARG 100 8.549 3.393 5.441 738 HB2 ARG 100 1HB ARG 100 8.688 6.347 6.058 739 HB3 ARG 100 2HB ARG 100 7.576 5.643 4.892 740 HG2 ARG 100 1HG ARG 100 6.925 4.129 6.952 741 HG3 ARG 100 2HG ARG 100 7.561 5.505 7.856 742 HD2 ARG 100 1HD ARG 100 5.978 6.978 6.933 743 HD3 ARG 100 2HD ARG 100 5.549 5.843 5.652 744 HE ARG 100 HE ARG 100 4.027 4.919 7.072 745 HH11 ARG 100 2HH1 ARG 100 6.412 6.609 8.961 746 HH12 ARG 100 1HH1 ARG 100 5.600 6.340 10.468 747 HH21 ARG 100 2HH2 ARG 100 2.947 4.558 9.048 748 HH22 ARG 100 1HH2 ARG 100 3.629 5.173 10.517 749 H ASP 101 H ASP 101 11.590 3.981 5.194 750 HA ASP 101 HA ASP 101 11.880 5.495 2.800 751 HB2 ASP 101 1HB ASP 101 13.842 3.432 3.783 752 HB3 ASP 101 2HB ASP 101 14.168 4.903 2.872 753 H LEU 102 H LEU 102 12.535 4.698 0.721 754 HA LEU 102 HA LEU 102 10.901 2.922 -0.494 755 HB2 LEU 102 1HB LEU 102 12.259 4.202 -1.888 756 HB3 LEU 102 2HB LEU 102 13.738 3.680 -1.081 757 HG LEU 102 HG LEU 102 13.521 1.470 -2.113 758 HD11 LEU 102 1HD1 LEU 102 11.236 1.110 -2.389 759 HD12 LEU 102 2HD1 LEU 102 11.826 1.338 -4.035 760 HD13 LEU 102 3HD1 LEU 102 10.993 2.654 -3.207 761 HD21 LEU 102 1HD2 LEU 102 14.825 3.152 -3.265 762 HD22 LEU 102 2HD2 LEU 102 13.375 3.777 -4.052 763 HD23 LEU 102 3HD2 LEU 102 13.961 2.158 -4.438 764 H ASP 103 H ASP 103 14.246 2.020 0.363 765 HA ASP 103 HA ASP 103 13.929 -0.722 -0.025 766 HB2 ASP 103 1HB ASP 103 16.009 -0.998 1.122 767 HB3 ASP 103 2HB ASP 103 16.104 0.524 0.242 768 H SER 104 H SER 104 13.583 1.210 2.929 769 HA SER 104 HA SER 104 13.135 -0.865 4.730 770 HB2 SER 104 1HB SER 104 12.429 2.033 4.650 771 HB3 SER 104 2HB SER 104 11.644 1.025 5.866 772 HG SER 104 HG SER 104 13.939 0.299 6.277 773 H LEU 105 H LEU 105 11.208 0.187 2.147 774 HA LEU 105 HA LEU 105 8.741 -0.879 3.292 775 HB2 LEU 105 1HB LEU 105 9.361 0.608 0.754 776 HB3 LEU 105 2HB LEU 105 7.786 -0.121 1.064 777 HG LEU 105 HG LEU 105 8.986 1.900 2.934 778 HD11 LEU 105 1HD1 LEU 105 7.876 3.657 1.783 779 HD12 LEU 105 2HD1 LEU 105 7.116 2.529 0.662 780 HD13 LEU 105 3HD1 LEU 105 8.858 2.796 0.596 781 HD21 LEU 105 1HD2 LEU 105 7.175 1.331 4.096 782 HD22 LEU 105 2HD2 LEU 105 6.526 0.383 2.758 783 HD23 LEU 105 3HD2 LEU 105 6.225 2.120 2.837 784 H HIS 106 H HIS 106 11.246 -1.687 1.041 785 HA HIS 106 HA HIS 106 9.815 -3.721 -0.358 786 HB2 HIS 106 1HB HIS 106 11.834 -2.558 -1.256 787 HB3 HIS 106 2HB HIS 106 12.808 -3.408 -0.061 788 HD1 HIS 106 1HD HIS 106 14.111 -5.052 -1.384 789 HD2 HIS 106 2HD HIS 106 10.110 -4.980 -2.497 790 HE1 HIS 106 1HE HIS 106 13.845 -6.913 -3.053 791 HE2 HIS 106 2HE HIS 106 11.435 -6.795 -3.777 792 H ARG 107 H ARG 107 12.221 -3.773 2.260 793 HA ARG 107 HA ARG 107 12.390 -6.524 2.606 794 HB2 ARG 107 1HB ARG 107 13.229 -6.057 4.833 795 HB3 ARG 107 2HB ARG 107 13.880 -4.883 3.697 796 HG2 ARG 107 1HG ARG 107 12.023 -3.334 4.443 797 HG3 ARG 107 2HG ARG 107 11.731 -4.481 5.753 798 HD2 ARG 107 1HD ARG 107 14.457 -3.338 5.235 799 HD3 ARG 107 2HD ARG 107 13.272 -2.484 6.220 800 HE ARG 107 HE ARG 107 13.346 -4.965 7.315 801 HH11 ARG 107 2HH1 ARG 107 15.767 -2.581 6.560 802 HH12 ARG 107 1HH1 ARG 107 16.820 -3.051 7.854 803 HH21 ARG 107 2HH2 ARG 107 14.723 -5.594 9.020 804 HH22 ARG 107 1HH2 ARG 107 16.225 -4.766 9.252 805 H PHE 108 H PHE 108 10.201 -4.210 4.187 806 HA PHE 108 HA PHE 108 8.868 -5.784 5.950 807 HB2 PHE 108 1HB PHE 108 8.283 -3.472 5.766 808 HB3 PHE 108 2HB PHE 108 7.753 -3.674 4.100 809 HD1 PHE 108 1HD PHE 108 6.947 -4.497 7.608 810 HD2 PHE 108 2HD PHE 108 5.553 -4.334 3.590 811 HE1 PHE 108 1HE PHE 108 4.650 -4.896 8.393 812 HE2 PHE 108 2HE PHE 108 3.253 -4.732 4.369 813 HZ PHE 108 HZ PHE 108 2.799 -5.012 6.773 814 H VAL 109 H VAL 109 7.520 -5.230 2.697 815 HA VAL 109 HA VAL 109 5.634 -7.214 2.682 816 HB VAL 109 HB VAL 109 7.318 -6.245 0.371 817 HG11 VAL 109 1HG1 VAL 109 5.581 -8.477 0.467 818 HG12 VAL 109 2HG1 VAL 109 4.770 -7.210 -0.456 819 HG13 VAL 109 3HG1 VAL 109 6.373 -7.766 -0.939 820 HG21 VAL 109 1HG2 VAL 109 6.128 -4.396 0.993 821 HG22 VAL 109 2HG2 VAL 109 4.949 -5.158 -0.074 822 HG23 VAL 109 3HG2 VAL 109 4.802 -5.339 1.674 823 H LEU 110 H LEU 110 9.032 -7.514 1.684 824 HA LEU 110 HA LEU 110 8.983 -10.168 0.856 825 HB2 LEU 110 1HB LEU 110 11.194 -8.594 2.165 826 HB3 LEU 110 2HB LEU 110 11.413 -10.175 1.418 827 HG LEU 110 HG LEU 110 10.326 -7.873 -0.164 828 HD11 LEU 110 1HD1 LEU 110 13.058 -8.131 -0.735 829 HD12 LEU 110 2HD1 LEU 110 12.934 -8.015 1.020 830 HD13 LEU 110 3HD1 LEU 110 12.234 -6.756 0.001 831 HD21 LEU 110 1HD2 LEU 110 12.155 -9.815 -1.362 832 HD22 LEU 110 2HD2 LEU 110 10.594 -9.223 -1.931 833 HD23 LEU 110 3HD2 LEU 110 10.664 -10.520 -0.738 834 H SER 111 H SER 111 9.145 -8.798 4.072 835 HA SER 111 HA SER 111 9.673 -11.366 5.311 836 HB2 SER 111 1HB SER 111 10.405 -8.944 6.096 837 HB3 SER 111 2HB SER 111 8.832 -8.973 6.893 838 HG SER 111 HG SER 111 10.196 -9.849 8.349 839 H GLN 112 H GLN 112 6.964 -9.295 4.620 840 HA GLN 112 HA GLN 112 5.132 -10.506 6.433 841 HB2 GLN 112 1HB GLN 112 4.707 -8.837 3.953 842 HB3 GLN 112 2HB GLN 112 3.400 -9.373 5.001 843 HG2 GLN 112 1HG GLN 112 5.474 -7.309 5.451 844 HG3 GLN 112 2HG GLN 112 3.759 -7.301 5.855 845 HE21 GLN 112 1HE2 GLN 112 3.333 -9.351 7.416 846 HE22 GLN 112 2HE2 GLN 112 4.323 -9.318 8.832 847 H ALA 113 H ALA 113 5.554 -10.790 2.905 848 HA ALA 113 HA ALA 113 3.643 -12.824 2.545 849 HB1 ALA 113 1HB ALA 113 4.272 -11.640 0.622 850 HB2 ALA 113 2HB ALA 113 5.991 -11.919 0.906 851 HB3 ALA 113 3HB ALA 113 4.954 -13.252 0.398 852 H LYS 114 H LYS 114 7.200 -13.032 2.727 853 HA LYS 114 HA LYS 114 7.549 -15.736 2.499 854 HB2 LYS 114 1HB LYS 114 9.005 -13.590 3.958 855 HB3 LYS 114 2HB LYS 114 9.432 -15.254 4.332 856 HG2 LYS 114 1HG LYS 114 9.728 -15.590 1.838 857 HG3 LYS 114 2HG LYS 114 9.629 -13.833 1.695 858 HD2 LYS 114 1HD LYS 114 11.563 -15.169 3.567 859 HD3 LYS 114 2HD LYS 114 11.958 -14.871 1.873 860 HE2 LYS 114 1HE LYS 114 11.668 -12.506 2.165 861 HE3 LYS 114 2HE LYS 114 11.057 -12.736 3.802 862 HZ1 LYS 114 1HZ LYS 114 13.427 -13.936 3.977 863 HZ2 LYS 114 2HZ LYS 114 13.180 -12.302 4.342 864 HZ3 LYS 114 3HZ LYS 114 13.789 -12.748 2.828 865 H ASP 115 H ASP 115 6.107 -17.103 3.425 866 HA ASP 115 HA ASP 115 6.161 -17.262 6.353 867 HB2 ASP 115 1HB ASP 115 4.031 -16.134 5.302 868 HB3 ASP 115 2HB ASP 115 3.583 -17.797 4.930 869 H GLU 116 H GLU 116 6.609 -19.248 7.045 870 HA GLU 116 HA GLU 116 6.725 -21.418 5.122 871 HB2 GLU 116 1HB GLU 116 7.813 -20.916 7.845 872 HB3 GLU 116 2HB GLU 116 7.558 -22.590 7.373 873 HG2 GLU 116 1HG GLU 116 9.342 -20.553 6.082 874 HG3 GLU 116 2HG GLU 116 9.795 -22.076 6.846 875 H LEU 117 H LEU 117 4.462 -21.720 4.799 876 HA LEU 117 HA LEU 117 3.320 -23.617 6.633 877 HB2 LEU 117 1HB LEU 117 2.615 -21.569 7.703 878 HB3 LEU 117 2HB LEU 117 1.984 -20.955 6.176 879 HG LEU 117 HG LEU 117 0.460 -23.103 6.332 880 HD11 LEU 117 1HD1 LEU 117 0.051 -23.961 8.415 881 HD12 LEU 117 2HD1 LEU 117 0.635 -22.519 9.246 882 HD13 LEU 117 3HD1 LEU 117 1.784 -23.650 8.529 883 HD21 LEU 117 1HD2 LEU 117 -0.019 -20.626 7.988 884 HD22 LEU 117 2HD2 LEU 117 -1.252 -21.738 7.390 885 HD23 LEU 117 3HD2 LEU 117 -0.306 -20.774 6.253 Start of MODEL 5 1 H1 GLY 1 H GLY 1 0.893 -15.256 -15.661 2 HA2 GLY 1 1HA GLY 1 2.390 -14.019 -13.436 3 HA3 GLY 1 2HA GLY 1 2.809 -13.832 -15.133 4 H SER 2 H SER 2 1.966 -11.975 -12.821 5 HA SER 2 HA SER 2 -0.484 -10.792 -13.325 6 HB2 SER 2 1HB SER 2 0.774 -10.140 -11.385 7 HB3 SER 2 2HB SER 2 2.110 -9.557 -12.377 8 HG SER 2 HG SER 2 0.271 -8.076 -11.472 9 H SER 3 H SER 3 -1.304 -9.744 -15.003 10 HA SER 3 HA SER 3 0.539 -8.424 -16.884 11 HB2 SER 3 1HB SER 3 -0.312 -10.527 -17.855 12 HB3 SER 3 2HB SER 3 -1.965 -9.967 -17.607 13 HG SER 3 HG SER 3 -1.485 -9.436 -19.675 14 H GLY 4 H GLY 4 0.176 -6.316 -17.010 15 HA2 GLY 4 1HA GLY 4 -1.286 -4.498 -17.595 16 HA3 GLY 4 2HA GLY 4 -2.596 -5.346 -16.785 17 H SER 5 H SER 5 0.253 -3.369 -16.350 18 HA SER 5 HA SER 5 -0.668 -2.768 -13.618 19 HB2 SER 5 1HB SER 5 2.168 -3.187 -14.574 20 HB3 SER 5 2HB SER 5 1.773 -2.414 -13.039 21 HG SER 5 HG SER 5 1.419 -4.311 -12.227 22 H SER 6 H SER 6 -0.046 -0.639 -12.833 23 HA SER 6 HA SER 6 -0.499 1.370 -14.801 24 HB2 SER 6 1HB SER 6 -1.297 1.526 -12.442 25 HB3 SER 6 2HB SER 6 0.376 1.732 -11.926 26 HG SER 6 HG SER 6 0.030 3.767 -12.290 27 H GLY 7 H GLY 7 2.325 0.335 -12.938 28 HA2 GLY 7 1HA GLY 7 4.514 0.412 -13.933 29 HA3 GLY 7 2HA GLY 7 4.006 1.827 -14.841 30 H THR 8 H THR 8 2.712 2.933 -12.370 31 HA THR 8 HA THR 8 5.135 3.666 -10.871 32 HB THR 8 HB THR 8 4.114 6.000 -10.690 33 HG1 THR 8 1HG THR 8 2.659 6.553 -12.338 34 HG21 THR 8 1HG2 THR 8 5.560 6.663 -12.282 35 HG22 THR 8 2HG2 THR 8 4.776 5.697 -13.532 36 HG23 THR 8 3HG2 THR 8 5.931 4.947 -12.432 37 H VAL 9 H VAL 9 1.593 4.113 -10.856 38 HA VAL 9 HA VAL 9 1.413 2.952 -8.215 39 HB VAL 9 HB VAL 9 0.822 5.873 -8.671 40 HG11 VAL 9 1HG1 VAL 9 -1.084 4.821 -7.542 41 HG12 VAL 9 2HG1 VAL 9 0.007 4.174 -6.314 42 HG13 VAL 9 3HG1 VAL 9 -0.214 5.918 -6.470 43 HG21 VAL 9 1HG2 VAL 9 2.201 6.056 -6.560 44 HG22 VAL 9 2HG2 VAL 9 2.613 4.355 -6.787 45 HG23 VAL 9 3HG2 VAL 9 3.072 5.544 -8.007 46 H LEU 10 H LEU 10 -0.627 2.210 -7.731 47 HA LEU 10 HA LEU 10 -2.569 2.373 -9.923 48 HB2 LEU 10 1HB LEU 10 -2.001 0.375 -7.782 49 HB3 LEU 10 2HB LEU 10 -3.618 0.452 -8.479 50 HG LEU 10 HG LEU 10 -2.206 0.286 -10.738 51 HD11 LEU 10 1HD1 LEU 10 -0.565 -1.328 -8.798 52 HD12 LEU 10 2HD1 LEU 10 -0.066 0.234 -9.445 53 HD13 LEU 10 3HD1 LEU 10 -0.306 -1.135 -10.531 54 HD21 LEU 10 1HD2 LEU 10 -2.508 -2.241 -10.500 55 HD22 LEU 10 2HD2 LEU 10 -3.944 -1.229 -10.344 56 HD23 LEU 10 3HD2 LEU 10 -3.166 -1.885 -8.903 57 H ALA 11 H ALA 11 -4.092 3.862 -9.674 58 HA ALA 11 HA ALA 11 -4.856 4.799 -7.042 59 HB1 ALA 11 1HB ALA 11 -6.464 6.218 -8.542 60 HB2 ALA 11 2HB ALA 11 -4.739 6.585 -8.482 61 HB3 ALA 11 3HB ALA 11 -5.401 5.673 -9.840 62 H LEU 12 H LEU 12 -5.953 3.089 -6.091 63 HA LEU 12 HA LEU 12 -8.139 1.782 -7.425 64 HB2 LEU 12 1HB LEU 12 -7.355 1.718 -4.515 65 HB3 LEU 12 2HB LEU 12 -8.460 0.607 -5.324 66 HG LEU 12 HG LEU 12 -5.485 0.839 -5.770 67 HD11 LEU 12 1HD1 LEU 12 -5.220 -0.974 -4.458 68 HD12 LEU 12 2HD1 LEU 12 -6.755 -1.689 -4.950 69 HD13 LEU 12 3HD1 LEU 12 -6.728 -0.410 -3.736 70 HD21 LEU 12 1HD2 LEU 12 -7.577 -0.187 -7.468 71 HD22 LEU 12 2HD2 LEU 12 -6.467 -1.471 -6.986 72 HD23 LEU 12 3HD2 LEU 12 -5.850 -0.023 -7.785 73 H THR 13 H THR 13 -10.342 1.809 -6.702 74 HA THR 13 HA THR 13 -11.116 4.265 -5.273 75 HB THR 13 HB THR 13 -12.977 4.619 -6.774 76 HG1 THR 13 1HG THR 13 -12.861 3.182 -8.781 77 HG21 THR 13 1HG2 THR 13 -11.811 5.515 -8.557 78 HG22 THR 13 2HG2 THR 13 -10.714 4.139 -8.667 79 HG23 THR 13 3HG2 THR 13 -10.524 5.316 -7.367 80 H GLU 14 H GLU 14 -13.491 4.158 -4.600 81 HA GLU 14 HA GLU 14 -13.861 1.986 -2.875 82 HB2 GLU 14 1HB GLU 14 -15.810 4.050 -3.905 83 HB3 GLU 14 2HB GLU 14 -16.215 2.877 -2.658 84 HG2 GLU 14 1HG GLU 14 -14.638 3.797 -1.153 85 HG3 GLU 14 2HG GLU 14 -13.915 4.793 -2.415 86 H ASN 15 H ASN 15 -14.310 2.156 -6.198 87 HA ASN 15 HA ASN 15 -16.367 0.075 -6.239 88 HB2 ASN 15 1HB ASN 15 -16.784 1.876 -7.773 89 HB3 ASN 15 2HB ASN 15 -15.154 1.765 -8.430 90 HD21 ASN 15 1HD2 ASN 15 -15.503 1.229 -10.486 91 HD22 ASN 15 2HD2 ASN 15 -16.381 -0.161 -11.014 92 H ASN 16 H ASN 16 -12.984 0.617 -6.894 93 HA ASN 16 HA ASN 16 -12.686 -2.259 -7.440 94 HB2 ASN 16 1HB ASN 16 -10.671 -1.506 -8.886 95 HB3 ASN 16 2HB ASN 16 -12.290 -1.360 -9.562 96 HD21 ASN 16 1HD2 ASN 16 -9.827 0.459 -7.798 97 HD22 ASN 16 2HD2 ASN 16 -10.196 1.989 -8.511 98 H PHE 17 H PHE 17 -12.471 -0.995 -4.919 99 HA PHE 17 HA PHE 17 -9.605 -0.795 -4.399 100 HB2 PHE 17 1HB PHE 17 -10.818 0.925 -3.319 101 HB3 PHE 17 2HB PHE 17 -12.056 -0.192 -2.756 102 HD1 PHE 17 1HD PHE 17 -11.506 -1.814 -0.941 103 HD2 PHE 17 2HD PHE 17 -8.883 1.349 -2.048 104 HE1 PHE 17 1HE PHE 17 -10.320 -2.053 1.201 105 HE2 PHE 17 2HE PHE 17 -7.692 1.115 0.091 106 HZ PHE 17 HZ PHE 17 -8.409 -0.589 1.719 107 H ASP 18 H ASP 18 -12.405 -2.760 -3.526 108 HA ASP 18 HA ASP 18 -10.843 -4.512 -1.844 109 HB2 ASP 18 1HB ASP 18 -12.845 -5.530 -1.261 110 HB3 ASP 18 2HB ASP 18 -13.376 -3.895 -1.648 111 H ASP 19 H ASP 19 -12.415 -4.704 -5.017 112 HA ASP 19 HA ASP 19 -11.933 -7.338 -5.657 113 HB2 ASP 19 1HB ASP 19 -13.242 -6.045 -7.157 114 HB3 ASP 19 2HB ASP 19 -11.951 -4.868 -7.386 115 H THR 20 H THR 20 -9.716 -4.605 -5.800 116 HA THR 20 HA THR 20 -7.619 -5.889 -7.173 117 HB THR 20 HB THR 20 -7.352 -3.676 -5.131 118 HG1 THR 20 1HG THR 20 -8.866 -3.330 -6.964 119 HG21 THR 20 1HG2 THR 20 -5.252 -4.822 -5.863 120 HG22 THR 20 2HG2 THR 20 -5.319 -3.108 -6.271 121 HG23 THR 20 3HG2 THR 20 -5.618 -4.323 -7.514 122 H ILE 21 H ILE 21 -7.617 -5.015 -3.715 123 HA ILE 21 HA ILE 21 -5.507 -6.594 -2.925 124 HB ILE 21 HB ILE 21 -6.360 -6.483 -0.666 125 HG12 ILE 21 1HG1 ILE 21 -8.953 -5.552 -1.915 126 HG13 ILE 21 2HG1 ILE 21 -8.690 -7.107 -1.135 127 HG21 ILE 21 1HG2 ILE 21 -6.502 -4.108 -2.427 128 HG22 ILE 21 2HG2 ILE 21 -7.117 -3.932 -0.785 129 HG23 ILE 21 3HG2 ILE 21 -5.450 -4.440 -1.052 130 HD11 ILE 21 1HD1 ILE 21 -7.919 -5.248 0.767 131 HD12 ILE 21 2HD1 ILE 21 -9.358 -4.552 0.019 132 HD13 ILE 21 3HD1 ILE 21 -9.425 -6.165 0.728 133 H ALA 22 H ALA 22 -8.717 -7.561 -3.756 134 HA ALA 22 HA ALA 22 -8.838 -10.027 -2.397 135 HB1 ALA 22 1HB ALA 22 -10.154 -9.768 -5.044 136 HB2 ALA 22 2HB ALA 22 -10.788 -10.382 -3.516 137 HB3 ALA 22 3HB ALA 22 -10.636 -8.644 -3.773 138 H GLU 23 H GLU 23 -7.417 -9.075 -5.464 139 HA GLU 23 HA GLU 23 -6.602 -11.855 -5.952 140 HB2 GLU 23 1HB GLU 23 -6.515 -9.478 -7.820 141 HB3 GLU 23 2HB GLU 23 -6.102 -11.135 -8.240 142 HG2 GLU 23 1HG GLU 23 -8.803 -10.594 -7.132 143 HG3 GLU 23 2HG GLU 23 -8.461 -10.115 -8.793 144 H GLY 24 H GLY 24 -4.610 -12.430 -5.410 145 HA2 GLY 24 1HA GLY 24 -2.378 -12.322 -4.887 146 HA3 GLY 24 2HA GLY 24 -2.284 -11.041 -6.087 147 H ILE 25 H ILE 25 -0.574 -10.447 -4.392 148 HA ILE 25 HA ILE 25 -1.630 -9.162 -2.017 149 HB ILE 25 HB ILE 25 1.194 -9.273 -3.084 150 HG12 ILE 25 1HG1 ILE 25 -0.023 -10.765 -0.754 151 HG13 ILE 25 2HG1 ILE 25 0.144 -11.452 -2.365 152 HG21 ILE 25 1HG2 ILE 25 0.730 -8.700 -0.241 153 HG22 ILE 25 2HG2 ILE 25 1.894 -8.003 -1.367 154 HG23 ILE 25 3HG2 ILE 25 0.228 -7.425 -1.352 155 HD11 ILE 25 1HD1 ILE 25 1.928 -12.143 -0.821 156 HD12 ILE 25 2HD1 ILE 25 2.541 -11.279 -2.233 157 HD13 ILE 25 3HD1 ILE 25 2.426 -10.458 -0.678 158 H THR 26 H THR 26 -2.017 -7.046 -1.765 159 HA THR 26 HA THR 26 -1.033 -5.175 -3.806 160 HB THR 26 HB THR 26 -3.860 -5.200 -2.731 161 HG1 THR 26 1HG THR 26 -4.393 -6.199 -4.542 162 HG21 THR 26 1HG2 THR 26 -4.199 -3.441 -4.489 163 HG22 THR 26 2HG2 THR 26 -2.446 -3.383 -4.681 164 HG23 THR 26 3HG2 THR 26 -3.180 -2.942 -3.140 165 H PHE 27 H PHE 27 0.189 -3.727 -2.803 166 HA PHE 27 HA PHE 27 -0.277 -3.109 0.005 167 HB2 PHE 27 1HB PHE 27 2.027 -3.546 -1.211 168 HB3 PHE 27 2HB PHE 27 1.903 -1.831 -1.593 169 HD1 PHE 27 1HD PHE 27 0.938 -3.706 1.474 170 HD2 PHE 27 2HD PHE 27 3.455 -0.749 -0.271 171 HE1 PHE 27 1HE PHE 27 1.826 -3.151 3.701 172 HE2 PHE 27 2HE PHE 27 4.347 -0.191 1.952 173 HZ PHE 27 HZ PHE 27 3.534 -1.393 3.942 174 H ILE 28 H ILE 28 -1.712 -1.574 0.444 175 HA ILE 28 HA ILE 28 -2.011 0.685 -1.403 176 HB ILE 28 HB ILE 28 -3.803 0.042 0.931 177 HG12 ILE 28 1HG1 ILE 28 -4.241 -0.791 -1.941 178 HG13 ILE 28 2HG1 ILE 28 -3.608 -1.871 -0.705 179 HG21 ILE 28 1HG2 ILE 28 -5.193 1.231 -1.197 180 HG22 ILE 28 2HG2 ILE 28 -4.768 1.955 0.353 181 HG23 ILE 28 3HG2 ILE 28 -3.687 2.131 -1.028 182 HD11 ILE 28 1HD1 ILE 28 -6.151 -0.477 -0.121 183 HD12 ILE 28 2HD1 ILE 28 -6.176 -1.772 -1.320 184 HD13 ILE 28 3HD1 ILE 28 -5.615 -2.097 0.320 185 H LYS 29 H LYS 29 -1.952 2.826 -0.681 186 HA LYS 29 HA LYS 29 -0.828 3.244 2.006 187 HB2 LYS 29 1HB LYS 29 0.950 3.391 0.291 188 HB3 LYS 29 2HB LYS 29 0.043 4.661 -0.521 189 HG2 LYS 29 1HG LYS 29 0.698 5.057 2.343 190 HG3 LYS 29 2HG LYS 29 2.010 5.185 1.169 191 HD2 LYS 29 1HD LYS 29 -0.594 6.677 0.911 192 HD3 LYS 29 2HD LYS 29 0.827 7.342 1.720 193 HE2 LYS 29 1HE LYS 29 1.172 6.232 -1.014 194 HE3 LYS 29 2HE LYS 29 0.330 7.772 -0.853 195 HZ1 LYS 29 1HZ LYS 29 3.052 7.157 0.164 196 HZ2 LYS 29 2HZ LYS 29 2.243 8.627 0.375 197 HZ3 LYS 29 3HZ LYS 29 2.683 8.120 -1.178 198 H PHE 30 H PHE 30 -2.310 4.329 3.119 199 HA PHE 30 HA PHE 30 -4.139 6.145 1.786 200 HB2 PHE 30 1HB PHE 30 -3.977 5.562 4.744 201 HB3 PHE 30 2HB PHE 30 -5.349 6.204 3.845 202 HD1 PHE 30 1HD PHE 30 -3.325 3.195 4.482 203 HD2 PHE 30 2HD PHE 30 -6.863 4.771 2.715 204 HE1 PHE 30 1HE PHE 30 -4.188 0.911 4.182 205 HE2 PHE 30 2HE PHE 30 -7.732 2.489 2.413 206 HZ PHE 30 HZ PHE 30 -6.394 0.555 3.147 207 H TYR 31 H TYR 31 -3.351 8.096 1.312 208 HA TYR 31 HA TYR 31 -1.881 9.538 3.421 209 HB2 TYR 31 1HB TYR 31 -0.469 10.533 1.834 210 HB3 TYR 31 2HB TYR 31 -0.586 8.860 1.299 211 HD1 TYR 31 2HD TYR 31 -1.627 12.318 0.598 212 HD2 TYR 31 1HD TYR 31 -1.659 8.291 -0.774 213 HE1 TYR 31 2HE TYR 31 -2.375 13.084 -1.616 214 HE2 TYR 31 1HE TYR 31 -2.406 9.046 -2.992 215 HH TYR 31 HH TYR 31 -3.171 10.786 -4.184 216 H ALA 32 H ALA 32 -1.934 12.010 2.897 217 HA ALA 32 HA ALA 32 -4.621 12.779 1.989 218 HB1 ALA 32 1HB ALA 32 -5.237 13.301 4.054 219 HB2 ALA 32 2HB ALA 32 -3.639 12.888 4.677 220 HB3 ALA 32 3HB ALA 32 -3.963 14.520 4.092 221 HA PRO 33 HA PRO 33 -2.337 15.767 -0.334 222 HB2 PRO 33 1HB PRO 33 -4.432 17.330 -1.070 223 HB3 PRO 33 2HB PRO 33 -4.112 15.749 -1.794 224 HG2 PRO 33 1HG PRO 33 -6.058 16.490 0.357 225 HG3 PRO 33 2HG PRO 33 -6.285 15.417 -1.036 226 HD2 PRO 33 1HD PRO 33 -5.793 14.483 1.458 227 HD3 PRO 33 2HD PRO 33 -5.230 13.646 -0.003 228 H TRP 34 H TRP 34 -3.629 16.239 2.661 229 HA TRP 34 HA TRP 34 -2.898 19.094 2.697 230 HB2 TRP 34 1HB TRP 34 -4.310 19.204 4.780 231 HB3 TRP 34 2HB TRP 34 -5.203 18.868 3.299 232 HD1 TRP 34 HD TRP 34 -6.673 16.740 3.273 233 HE1 TRP 34 1HE TRP 34 -7.069 14.790 4.906 234 HE3 TRP 34 3HE TRP 34 -2.947 17.723 6.633 235 HZ2 TRP 34 2HZ TRP 34 -5.951 13.801 7.301 236 HZ3 TRP 34 3HZ TRP 34 -2.678 16.227 8.567 237 HH2 TRP 34 HH TRP 34 -4.151 14.307 8.893 238 H CYS 35 H CYS 35 -1.767 16.112 3.474 239 HA CYS 35 HA CYS 35 -0.552 16.835 6.015 240 HB2 CYS 35 1HB CYS 35 -1.456 14.478 5.234 241 HB3 CYS 35 2HB CYS 35 0.153 14.334 4.535 242 HG CYS 35 HG CYS 35 -0.714 13.572 7.505 243 H GLY 36 H GLY 36 1.782 16.623 6.338 244 HA2 GLY 36 1HA GLY 36 3.217 17.783 4.061 245 HA3 GLY 36 2HA GLY 36 3.736 17.823 5.739 246 H HIS 37 H HIS 37 3.389 15.046 6.284 247 HA HIS 37 HA HIS 37 5.892 14.069 5.420 248 HB2 HIS 37 1HB HIS 37 3.545 12.734 6.765 249 HB3 HIS 37 2HB HIS 37 5.042 11.878 6.401 250 HD1 HIS 37 1HD HIS 37 3.865 12.513 9.302 251 HD2 HIS 37 2HD HIS 37 6.960 14.517 7.388 252 HE1 HIS 37 1HE HIS 37 5.220 13.570 11.139 253 HE2 HIS 37 2HE HIS 37 7.037 14.848 9.951 254 H CYS 38 H CYS 38 2.641 13.687 4.197 255 HA CYS 38 HA CYS 38 3.019 11.453 2.556 256 HB2 CYS 38 1HB CYS 38 1.050 12.218 1.335 257 HB3 CYS 38 2HB CYS 38 0.808 12.418 3.067 258 HG CYS 38 HG CYS 38 1.888 15.244 2.512 259 H LYS 39 H LYS 39 4.102 14.708 2.233 260 HA LYS 39 HA LYS 39 4.479 14.710 -0.593 261 HB2 LYS 39 1HB LYS 39 5.481 16.422 1.663 262 HB3 LYS 39 2HB LYS 39 6.105 16.634 0.032 263 HG2 LYS 39 1HG LYS 39 4.134 17.471 -0.765 264 HG3 LYS 39 2HG LYS 39 3.158 16.609 0.427 265 HD2 LYS 39 1HD LYS 39 4.313 18.161 2.144 266 HD3 LYS 39 2HD LYS 39 4.721 19.149 0.739 267 HE2 LYS 39 1HE LYS 39 1.908 18.243 1.273 268 HE3 LYS 39 2HE LYS 39 2.566 19.702 2.013 269 HZ1 LYS 39 1HZ LYS 39 1.527 19.374 -0.572 270 HZ2 LYS 39 2HZ LYS 39 3.161 19.784 -0.710 271 HZ3 LYS 39 3HZ LYS 39 2.109 20.787 0.155 272 H THR 40 H THR 40 6.502 13.894 2.175 273 HA THR 40 HA THR 40 8.879 13.512 0.623 274 HB THR 40 HB THR 40 8.805 14.063 3.105 275 HG1 THR 40 1HG THR 40 10.813 13.471 2.847 276 HG21 THR 40 1HG2 THR 40 7.772 12.665 4.497 277 HG22 THR 40 2HG2 THR 40 8.911 11.392 4.057 278 HG23 THR 40 3HG2 THR 40 7.407 11.581 3.156 279 H LEU 41 H LEU 41 6.131 11.595 1.400 280 HA LEU 41 HA LEU 41 7.495 9.111 0.671 281 HB2 LEU 41 1HB LEU 41 5.972 9.266 2.671 282 HB3 LEU 41 2HB LEU 41 4.635 9.463 1.540 283 HG LEU 41 HG LEU 41 5.261 7.222 0.577 284 HD11 LEU 41 1HD1 LEU 41 6.769 6.761 3.119 285 HD12 LEU 41 2HD1 LEU 41 7.591 7.374 1.684 286 HD13 LEU 41 3HD1 LEU 41 6.769 5.815 1.630 287 HD21 LEU 41 1HD2 LEU 41 3.770 6.234 1.948 288 HD22 LEU 41 2HD2 LEU 41 3.599 7.863 2.600 289 HD23 LEU 41 3HD2 LEU 41 4.645 6.695 3.408 290 H ALA 42 H ALA 42 5.978 11.577 -0.877 291 HA ALA 42 HA ALA 42 4.188 10.369 -2.644 292 HB1 ALA 42 1HB ALA 42 5.467 12.909 -2.372 293 HB2 ALA 42 2HB ALA 42 5.520 12.406 -4.063 294 HB3 ALA 42 3HB ALA 42 3.975 12.500 -3.219 295 HA PRO 43 HA PRO 43 7.815 9.768 -5.766 296 HB2 PRO 43 1HB PRO 43 10.335 10.254 -4.883 297 HB3 PRO 43 2HB PRO 43 9.315 11.501 -5.610 298 HG2 PRO 43 1HG PRO 43 9.857 10.944 -2.719 299 HG3 PRO 43 2HG PRO 43 9.783 12.502 -3.563 300 HD2 PRO 43 1HD PRO 43 7.729 11.551 -2.078 301 HD3 PRO 43 2HD PRO 43 7.479 12.560 -3.517 302 H THR 44 H THR 44 8.339 8.986 -2.393 303 HA THR 44 HA THR 44 9.992 6.714 -2.813 304 HB THR 44 HB THR 44 8.217 7.339 -0.445 305 HG1 THR 44 1HG THR 44 9.829 8.952 -0.923 306 HG21 THR 44 1HG2 THR 44 8.817 5.288 0.225 307 HG22 THR 44 2HG2 THR 44 10.439 5.947 0.430 308 HG23 THR 44 3HG2 THR 44 10.003 5.127 -1.069 309 H TRP 45 H TRP 45 6.515 7.069 -2.145 310 HA TRP 45 HA TRP 45 5.807 4.395 -2.101 311 HB2 TRP 45 1HB TRP 45 4.312 6.330 -1.555 312 HB3 TRP 45 2HB TRP 45 4.138 6.622 -3.283 313 HD1 TRP 45 HD TRP 45 1.963 5.661 -4.195 314 HE1 TRP 45 1HE TRP 45 0.455 3.646 -3.657 315 HE3 TRP 45 3HE TRP 45 4.658 3.631 -0.355 316 HZ2 TRP 45 2HZ TRP 45 0.413 1.483 -1.845 317 HZ3 TRP 45 3HZ TRP 45 3.815 1.588 0.727 318 HH2 TRP 45 HH TRP 45 1.735 0.539 -0.002 319 H GLU 46 H GLU 46 6.143 6.562 -4.882 320 HA GLU 46 HA GLU 46 5.183 4.840 -6.859 321 HB2 GLU 46 1HB GLU 46 7.089 7.149 -6.860 322 HB3 GLU 46 2HB GLU 46 6.885 6.195 -8.323 323 HG2 GLU 46 1HG GLU 46 4.615 6.771 -8.511 324 HG3 GLU 46 2HG GLU 46 4.556 7.398 -6.866 325 H GLU 47 H GLU 47 8.574 5.432 -5.920 326 HA GLU 47 HA GLU 47 9.898 3.693 -7.518 327 HB2 GLU 47 1HB GLU 47 10.350 4.234 -4.583 328 HB3 GLU 47 2HB GLU 47 11.477 3.321 -5.576 329 HG2 GLU 47 1HG GLU 47 10.620 6.140 -6.174 330 HG3 GLU 47 2HG GLU 47 12.067 5.717 -5.260 331 H LEU 48 H LEU 48 8.279 2.829 -4.475 332 HA LEU 48 HA LEU 48 8.916 0.188 -4.243 333 HB2 LEU 48 1HB LEU 48 7.389 1.642 -2.792 334 HB3 LEU 48 2HB LEU 48 6.092 1.137 -3.874 335 HG LEU 48 HG LEU 48 6.475 -1.197 -3.236 336 HD11 LEU 48 1HD1 LEU 48 8.880 -0.073 -2.090 337 HD12 LEU 48 2HD1 LEU 48 8.478 -1.751 -2.451 338 HD13 LEU 48 3HD1 LEU 48 7.982 -1.038 -0.917 339 HD21 LEU 48 1HD2 LEU 48 6.006 -0.733 -0.654 340 HD22 LEU 48 2HD2 LEU 48 4.805 -0.426 -1.908 341 HD23 LEU 48 3HD2 LEU 48 5.774 0.903 -1.270 342 H SER 49 H SER 49 6.306 1.540 -6.242 343 HA SER 49 HA SER 49 5.229 -0.809 -7.224 344 HB2 SER 49 1HB SER 49 4.171 0.489 -8.845 345 HB3 SER 49 2HB SER 49 4.541 1.687 -7.605 346 HG SER 49 HG SER 49 5.518 2.686 -9.171 347 H LYS 50 H LYS 50 8.082 0.955 -8.306 348 HA LYS 50 HA LYS 50 8.553 -0.617 -10.624 349 HB2 LYS 50 1HB LYS 50 10.361 1.158 -8.983 350 HB3 LYS 50 2HB LYS 50 10.874 0.370 -10.468 351 HG2 LYS 50 1HG LYS 50 9.356 1.621 -11.773 352 HG3 LYS 50 2HG LYS 50 8.496 2.200 -10.344 353 HD2 LYS 50 1HD LYS 50 10.766 3.246 -9.688 354 HD3 LYS 50 2HD LYS 50 11.190 3.004 -11.385 355 HE2 LYS 50 1HE LYS 50 8.858 4.178 -11.771 356 HE3 LYS 50 2HE LYS 50 9.173 4.822 -10.161 357 HZ1 LYS 50 1HZ LYS 50 9.978 6.239 -12.017 358 HZ2 LYS 50 2HZ LYS 50 11.088 5.029 -12.416 359 HZ3 LYS 50 3HZ LYS 50 11.186 5.804 -10.916 360 H LYS 51 H LYS 51 9.645 -0.810 -7.278 361 HA LYS 51 HA LYS 51 11.644 -2.698 -7.477 362 HB2 LYS 51 1HB LYS 51 9.549 -2.432 -5.313 363 HB3 LYS 51 2HB LYS 51 11.038 -3.356 -5.162 364 HG2 LYS 51 1HG LYS 51 11.009 -0.417 -5.771 365 HG3 LYS 51 2HG LYS 51 11.032 -1.058 -4.127 366 HD2 LYS 51 1HD LYS 51 13.058 -1.919 -6.166 367 HD3 LYS 51 2HD LYS 51 13.275 -0.440 -5.228 368 HE2 LYS 51 1HE LYS 51 13.318 -1.634 -3.185 369 HE3 LYS 51 2HE LYS 51 12.727 -3.108 -3.950 370 HZ1 LYS 51 1HZ LYS 51 15.363 -2.363 -3.531 371 HZ2 LYS 51 2HZ LYS 51 15.114 -2.268 -5.202 372 HZ3 LYS 51 3HZ LYS 51 14.799 -3.714 -4.380 373 H GLU 52 H GLU 52 11.580 -5.017 -6.899 374 HA GLU 52 HA GLU 52 9.136 -6.341 -7.869 375 HB2 GLU 52 1HB GLU 52 11.890 -7.415 -8.434 376 HB3 GLU 52 2HB GLU 52 10.366 -7.854 -9.193 377 HG2 GLU 52 1HG GLU 52 11.518 -5.102 -9.464 378 HG3 GLU 52 2HG GLU 52 12.002 -6.423 -10.526 379 H PHE 53 H PHE 53 8.580 -8.269 -6.890 380 HA PHE 53 HA PHE 53 10.120 -8.933 -4.467 381 HB2 PHE 53 1HB PHE 53 7.201 -9.549 -4.908 382 HB3 PHE 53 2HB PHE 53 8.096 -9.569 -3.393 383 HD1 PHE 53 1HD PHE 53 6.766 -7.350 -6.035 384 HD2 PHE 53 2HD PHE 53 8.281 -7.641 -2.069 385 HE1 PHE 53 1HE PHE 53 6.082 -5.026 -5.608 386 HE2 PHE 53 2HE PHE 53 7.598 -5.318 -1.634 387 HZ PHE 53 HZ PHE 53 6.496 -4.007 -3.404 388 HA PRO 54 HA PRO 54 10.705 -12.639 -7.052 389 HB2 PRO 54 1HB PRO 54 13.005 -13.385 -5.817 390 HB3 PRO 54 2HB PRO 54 12.955 -12.176 -7.106 391 HG2 PRO 54 1HG PRO 54 13.078 -11.780 -4.142 392 HG3 PRO 54 2HG PRO 54 13.964 -10.930 -5.421 393 HD2 PRO 54 1HD PRO 54 11.778 -9.879 -4.219 394 HD3 PRO 54 2HD PRO 54 12.181 -9.556 -5.917 395 H GLY 55 H GLY 55 9.816 -14.559 -6.607 396 HA2 GLY 55 1HA GLY 55 9.424 -16.518 -5.385 397 HA3 GLY 55 2HA GLY 55 10.099 -15.738 -3.962 398 H LEU 56 H LEU 56 8.251 -13.376 -4.670 399 HA LEU 56 HA LEU 56 5.922 -14.469 -3.259 400 HB2 LEU 56 1HB LEU 56 6.615 -11.570 -3.653 401 HB3 LEU 56 2HB LEU 56 5.460 -12.258 -2.514 402 HG LEU 56 HG LEU 56 8.465 -12.494 -2.381 403 HD11 LEU 56 1HD1 LEU 56 8.356 -10.549 -1.319 404 HD12 LEU 56 2HD1 LEU 56 7.412 -11.345 -0.061 405 HD13 LEU 56 3HD1 LEU 56 6.595 -10.541 -1.402 406 HD21 LEU 56 1HD2 LEU 56 7.946 -14.420 -1.327 407 HD22 LEU 56 2HD2 LEU 56 6.280 -13.930 -1.015 408 HD23 LEU 56 3HD2 LEU 56 7.583 -13.335 0.015 409 H ALA 57 H ALA 57 3.786 -13.748 -3.869 410 HA ALA 57 HA ALA 57 3.276 -13.994 -6.621 411 HB1 ALA 57 1HB ALA 57 0.982 -13.663 -6.092 412 HB2 ALA 57 2HB ALA 57 1.700 -14.555 -4.749 413 HB3 ALA 57 3HB ALA 57 1.384 -12.827 -4.591 414 H GLY 58 H GLY 58 2.528 -12.498 -8.154 415 HA2 GLY 58 1HA GLY 58 3.845 -10.137 -8.453 416 HA3 GLY 58 2HA GLY 58 2.265 -10.439 -9.161 417 H VAL 59 H VAL 59 4.017 -8.881 -6.606 418 HA VAL 59 HA VAL 59 1.731 -7.982 -5.144 419 HB VAL 59 HB VAL 59 4.606 -7.069 -5.140 420 HG11 VAL 59 1HG1 VAL 59 3.995 -5.849 -3.050 421 HG12 VAL 59 2HG1 VAL 59 3.297 -5.164 -4.519 422 HG13 VAL 59 3HG1 VAL 59 2.299 -6.138 -3.439 423 HG21 VAL 59 1HG2 VAL 59 3.486 -9.332 -4.106 424 HG22 VAL 59 2HG2 VAL 59 4.962 -8.571 -3.511 425 HG23 VAL 59 3HG2 VAL 59 3.417 -8.231 -2.730 426 H LYS 60 H LYS 60 0.563 -6.153 -5.346 427 HA LYS 60 HA LYS 60 1.253 -4.366 -7.582 428 HB2 LYS 60 1HB LYS 60 -1.419 -5.080 -6.373 429 HB3 LYS 60 2HB LYS 60 -1.203 -3.774 -7.530 430 HG2 LYS 60 1HG LYS 60 -0.437 -5.339 -9.206 431 HG3 LYS 60 2HG LYS 60 -0.540 -6.666 -8.046 432 HD2 LYS 60 1HD LYS 60 -2.924 -4.973 -8.740 433 HD3 LYS 60 2HD LYS 60 -2.473 -6.384 -9.699 434 HE2 LYS 60 1HE LYS 60 -2.466 -7.637 -7.449 435 HE3 LYS 60 2HE LYS 60 -3.371 -6.253 -6.839 436 HZ1 LYS 60 1HZ LYS 60 -4.573 -8.336 -7.857 437 HZ2 LYS 60 2HZ LYS 60 -4.299 -7.516 -9.310 438 HZ3 LYS 60 3HZ LYS 60 -5.188 -6.775 -8.077 439 H ILE 61 H ILE 61 1.300 -2.173 -7.285 440 HA ILE 61 HA ILE 61 1.091 -1.253 -4.496 441 HB ILE 61 HB ILE 61 2.779 -0.185 -6.758 442 HG12 ILE 61 1HG1 ILE 61 3.739 -2.159 -5.757 443 HG13 ILE 61 2HG1 ILE 61 4.645 -0.758 -5.197 444 HG21 ILE 61 1HG2 ILE 61 1.681 1.231 -4.588 445 HG22 ILE 61 2HG2 ILE 61 3.388 0.986 -4.222 446 HG23 ILE 61 3HG2 ILE 61 2.914 1.775 -5.726 447 HD11 ILE 61 1HD1 ILE 61 4.369 -2.093 -3.307 448 HD12 ILE 61 2HD1 ILE 61 3.147 -0.832 -3.138 449 HD13 ILE 61 3HD1 ILE 61 2.684 -2.443 -3.688 450 H ALA 62 H ALA 62 -0.674 -0.107 -4.102 451 HA ALA 62 HA ALA 62 -1.673 1.705 -6.201 452 HB1 ALA 62 1HB ALA 62 -3.514 0.440 -6.196 453 HB2 ALA 62 2HB ALA 62 -3.063 -0.369 -4.694 454 HB3 ALA 62 3HB ALA 62 -3.872 1.197 -4.644 455 H GLU 63 H GLU 63 -3.382 3.268 -5.024 456 HA GLU 63 HA GLU 63 -2.378 4.164 -2.442 457 HB2 GLU 63 1HB GLU 63 -1.586 6.216 -3.094 458 HB3 GLU 63 2HB GLU 63 -1.152 5.265 -4.508 459 HG2 GLU 63 1HG GLU 63 -3.168 6.040 -5.648 460 HG3 GLU 63 2HG GLU 63 -3.598 6.997 -4.233 461 H VAL 64 H VAL 64 -3.775 5.672 -1.383 462 HA VAL 64 HA VAL 64 -6.376 6.159 -2.615 463 HB VAL 64 HB VAL 64 -5.979 4.574 -0.085 464 HG11 VAL 64 1HG1 VAL 64 -7.577 6.377 0.368 465 HG12 VAL 64 2HG1 VAL 64 -8.529 5.879 -1.031 466 HG13 VAL 64 3HG1 VAL 64 -8.362 4.798 0.353 467 HG21 VAL 64 1HG2 VAL 64 -8.027 3.499 -1.620 468 HG22 VAL 64 2HG2 VAL 64 -6.812 3.998 -2.797 469 HG23 VAL 64 3HG2 VAL 64 -6.375 2.893 -1.493 470 H ASP 65 H ASP 65 -7.158 8.109 -2.107 471 HA ASP 65 HA ASP 65 -5.665 9.753 -0.238 472 HB2 ASP 65 1HB ASP 65 -7.874 10.363 -2.203 473 HB3 ASP 65 2HB ASP 65 -7.211 11.568 -1.103 474 H CYS 66 H CYS 66 -6.358 10.445 1.706 475 HA CYS 66 HA CYS 66 -8.780 9.248 2.770 476 HB2 CYS 66 1HB CYS 66 -6.487 10.761 4.010 477 HB3 CYS 66 2HB CYS 66 -7.932 10.345 4.926 478 H THR 67 H THR 67 -8.742 11.561 0.820 479 HA THR 67 HA THR 67 -10.366 13.421 2.433 480 HB THR 67 HB THR 67 -9.780 15.130 0.626 481 HG1 THR 67 1HG THR 67 -8.707 13.165 -0.570 482 HG21 THR 67 1HG2 THR 67 -7.483 15.539 1.649 483 HG22 THR 67 2HG2 THR 67 -7.752 14.065 2.581 484 HG23 THR 67 3HG2 THR 67 -8.839 15.441 2.771 485 H ALA 68 H ALA 68 -10.178 11.387 -0.332 486 HA ALA 68 HA ALA 68 -12.811 12.350 -1.242 487 HB1 ALA 68 1HB ALA 68 -11.610 10.723 -3.231 488 HB2 ALA 68 2HB ALA 68 -11.986 12.445 -3.297 489 HB3 ALA 68 3HB ALA 68 -10.417 11.908 -2.700 490 H GLU 69 H GLU 69 -10.886 9.587 -0.316 491 HA GLU 69 HA GLU 69 -13.213 7.829 -0.695 492 HB2 GLU 69 1HB GLU 69 -10.314 7.088 -0.255 493 HB3 GLU 69 2HB GLU 69 -11.633 5.962 -0.546 494 HG2 GLU 69 1HG GLU 69 -10.775 6.091 -2.641 495 HG3 GLU 69 2HG GLU 69 -11.938 7.413 -2.723 496 H ARG 70 H ARG 70 -12.895 9.720 1.512 497 HA ARG 70 HA ARG 70 -11.997 8.903 3.896 498 HB2 ARG 70 1HB ARG 70 -14.786 9.944 3.367 499 HB3 ARG 70 2HB ARG 70 -14.014 9.901 4.947 500 HG2 ARG 70 1HG ARG 70 -12.729 11.334 2.657 501 HG3 ARG 70 2HG ARG 70 -14.003 12.099 3.608 502 HD2 ARG 70 1HD ARG 70 -11.595 10.852 4.899 503 HD3 ARG 70 2HD ARG 70 -11.571 12.512 4.304 504 HE ARG 70 HE ARG 70 -12.932 11.521 6.644 505 HH11 ARG 70 2HH1 ARG 70 -12.743 14.062 4.272 506 HH12 ARG 70 1HH1 ARG 70 -13.508 15.242 5.284 507 HH21 ARG 70 2HH2 ARG 70 -13.943 13.065 7.985 508 HH22 ARG 70 1HH2 ARG 70 -14.190 14.673 7.396 509 H ASN 71 H ASN 71 -14.963 7.661 2.388 510 HA ASN 71 HA ASN 71 -15.978 6.033 4.298 511 HB2 ASN 71 1HB ASN 71 -15.801 5.815 1.336 512 HB3 ASN 71 2HB ASN 71 -16.319 4.382 2.218 513 HD21 ASN 71 1HD2 ASN 71 -17.935 5.755 0.414 514 HD22 ASN 71 2HD2 ASN 71 -19.259 6.451 1.279 515 H ILE 72 H ILE 72 -13.274 5.217 2.145 516 HA ILE 72 HA ILE 72 -12.842 2.650 3.322 517 HB ILE 72 HB ILE 72 -11.002 4.307 1.591 518 HG12 ILE 72 1HG1 ILE 72 -12.836 2.015 0.857 519 HG13 ILE 72 2HG1 ILE 72 -13.173 3.713 0.538 520 HG21 ILE 72 1HG2 ILE 72 -9.522 2.598 1.529 521 HG22 ILE 72 2HG2 ILE 72 -10.208 2.255 3.117 522 HG23 ILE 72 3HG2 ILE 72 -10.770 1.365 1.702 523 HD11 ILE 72 1HD1 ILE 72 -10.627 2.596 -0.483 524 HD12 ILE 72 2HD1 ILE 72 -12.126 2.123 -1.285 525 HD13 ILE 72 3HD1 ILE 72 -11.685 3.826 -1.171 526 H CYS 73 H CYS 73 -10.668 5.479 3.236 527 HA CYS 73 HA CYS 73 -8.819 4.784 5.068 528 HB2 CYS 73 1HB CYS 73 -10.080 7.410 4.415 529 HB3 CYS 73 2HB CYS 73 -8.987 7.328 5.792 530 H SER 74 H SER 74 -11.827 6.495 5.942 531 HA SER 74 HA SER 74 -11.586 6.551 8.659 532 HB2 SER 74 1HB SER 74 -13.472 7.602 7.603 533 HB3 SER 74 2HB SER 74 -14.064 6.054 6.998 534 HG SER 74 HG SER 74 -13.717 6.322 9.752 535 H LYS 75 H LYS 75 -12.986 3.886 6.760 536 HA LYS 75 HA LYS 75 -13.646 2.155 8.798 537 HB2 LYS 75 1HB LYS 75 -14.249 1.655 6.525 538 HB3 LYS 75 2HB LYS 75 -12.559 1.551 6.045 539 HG2 LYS 75 1HG LYS 75 -12.501 -0.353 7.855 540 HG3 LYS 75 2HG LYS 75 -14.236 -0.402 7.532 541 HD2 LYS 75 1HD LYS 75 -13.556 -0.496 5.051 542 HD3 LYS 75 2HD LYS 75 -11.952 -0.920 5.654 543 HE2 LYS 75 1HE LYS 75 -14.466 -2.393 6.418 544 HE3 LYS 75 2HE LYS 75 -13.433 -2.864 5.070 545 HZ1 LYS 75 1HZ LYS 75 -12.766 -4.152 6.903 546 HZ2 LYS 75 2HZ LYS 75 -12.751 -2.825 7.951 547 HZ3 LYS 75 3HZ LYS 75 -11.577 -2.959 6.740 548 H TYR 76 H TYR 76 -10.488 2.829 7.428 549 HA TYR 76 HA TYR 76 -9.247 0.759 9.068 550 HB2 TYR 76 1HB TYR 76 -8.102 2.637 6.993 551 HB3 TYR 76 2HB TYR 76 -7.153 1.455 7.888 552 HD1 TYR 76 1HD TYR 76 -7.683 -0.996 7.599 553 HD2 TYR 76 2HD TYR 76 -9.323 2.010 5.074 554 HE1 TYR 76 1HE TYR 76 -8.223 -2.710 5.920 555 HE2 TYR 76 2HE TYR 76 -9.869 0.305 3.388 556 HH TYR 76 HH TYR 76 -8.687 -2.290 2.949 557 H SER 77 H SER 77 -10.496 3.244 10.163 558 HA SER 77 HA SER 77 -9.980 5.059 11.505 559 HB2 SER 77 1HB SER 77 -8.921 4.315 13.572 560 HB3 SER 77 2HB SER 77 -10.016 3.065 12.982 561 HG SER 77 HG SER 77 -8.137 2.049 12.052 562 H VAL 78 H VAL 78 -8.504 5.414 9.271 563 HA VAL 78 HA VAL 78 -5.700 5.667 9.858 564 HB VAL 78 HB VAL 78 -7.250 6.855 7.554 565 HG11 VAL 78 1HG1 VAL 78 -5.326 7.805 6.988 566 HG12 VAL 78 2HG1 VAL 78 -4.524 7.080 8.383 567 HG13 VAL 78 3HG1 VAL 78 -4.600 6.205 6.853 568 HG21 VAL 78 1HG2 VAL 78 -6.996 4.911 6.360 569 HG22 VAL 78 2HG2 VAL 78 -5.613 4.376 7.314 570 HG23 VAL 78 3HG2 VAL 78 -7.241 4.263 7.982 571 H ARG 79 H ARG 79 -5.223 7.095 11.436 572 HA ARG 79 HA ARG 79 -6.268 9.835 11.145 573 HB2 ARG 79 1HB ARG 79 -6.015 10.111 13.544 574 HB3 ARG 79 2HB ARG 79 -7.027 8.712 13.206 575 HG2 ARG 79 1HG ARG 79 -5.059 7.256 13.568 576 HG3 ARG 79 2HG ARG 79 -4.131 8.684 14.025 577 HD2 ARG 79 1HD ARG 79 -5.841 9.118 15.803 578 HD3 ARG 79 2HD ARG 79 -6.557 7.554 15.409 579 HE ARG 79 HE ARG 79 -4.843 6.525 16.529 580 HH11 ARG 79 2HH1 ARG 79 -3.995 9.850 15.940 581 HH12 ARG 79 1HH1 ARG 79 -2.573 9.798 16.928 582 HH21 ARG 79 2HH2 ARG 79 -2.973 6.444 17.830 583 HH22 ARG 79 1HH2 ARG 79 -1.991 7.860 18.002 584 H GLY 80 H GLY 80 -3.449 7.838 11.816 585 HA2 GLY 80 1HA GLY 80 -1.733 10.222 11.779 586 HA3 GLY 80 2HA GLY 80 -1.253 8.620 12.317 587 H TYR 81 H TYR 81 -1.535 10.773 9.642 588 HA TYR 81 HA TYR 81 -0.732 8.715 7.732 589 HB2 TYR 81 1HB TYR 81 -1.008 11.576 6.942 590 HB3 TYR 81 2HB TYR 81 -1.440 10.121 6.054 591 HD1 TYR 81 2HD TYR 81 -2.483 12.249 8.917 592 HD2 TYR 81 1HD TYR 81 -3.656 9.364 6.018 593 HE1 TYR 81 2HE TYR 81 -4.833 12.554 9.574 594 HE2 TYR 81 1HE TYR 81 -6.010 9.662 6.666 595 HH TYR 81 HH TYR 81 -6.996 12.169 8.903 596 HA PRO 82 HA PRO 82 0.146 9.005 5.551 597 HB2 PRO 82 1HB PRO 82 2.167 7.395 4.714 598 HB3 PRO 82 2HB PRO 82 2.014 9.084 4.215 599 HG2 PRO 82 1HG PRO 82 3.748 7.888 6.342 600 HG3 PRO 82 2HG PRO 82 4.148 9.127 5.138 601 HD2 PRO 82 1HD PRO 82 3.554 9.734 7.708 602 HD3 PRO 82 2HD PRO 82 3.156 10.812 6.355 603 H THR 83 H THR 83 -0.398 6.735 5.124 604 HA THR 83 HA THR 83 0.125 4.926 7.377 605 HB THR 83 HB THR 83 -2.615 5.435 6.201 606 HG1 THR 83 1HG THR 83 -1.914 5.819 8.905 607 HG21 THR 83 1HG2 THR 83 -2.721 3.207 6.783 608 HG22 THR 83 2HG2 THR 83 -3.180 3.970 8.305 609 HG23 THR 83 3HG2 THR 83 -1.534 3.378 8.075 610 H LEU 84 H LEU 84 0.575 2.891 6.784 611 HA LEU 84 HA LEU 84 -0.072 2.075 4.028 612 HB2 LEU 84 1HB LEU 84 2.347 1.005 5.392 613 HB3 LEU 84 2HB LEU 84 2.024 1.211 3.673 614 HG LEU 84 HG LEU 84 2.471 3.573 5.469 615 HD11 LEU 84 1HD1 LEU 84 4.822 3.050 4.024 616 HD12 LEU 84 2HD1 LEU 84 4.382 1.543 4.827 617 HD13 LEU 84 3HD1 LEU 84 4.593 3.016 5.773 618 HD21 LEU 84 1HD2 LEU 84 3.401 3.560 2.693 619 HD22 LEU 84 2HD2 LEU 84 2.480 4.776 3.577 620 HD23 LEU 84 3HD2 LEU 84 1.656 3.383 2.876 621 H LEU 85 H LEU 85 -0.906 0.069 3.754 622 HA LEU 85 HA LEU 85 -0.852 -1.822 5.979 623 HB2 LEU 85 1HB LEU 85 -3.400 -0.972 4.612 624 HB3 LEU 85 2HB LEU 85 -3.248 -2.210 5.857 625 HG LEU 85 HG LEU 85 -2.619 0.702 6.311 626 HD11 LEU 85 1HD1 LEU 85 -5.144 -0.454 5.904 627 HD12 LEU 85 2HD1 LEU 85 -4.777 1.149 6.541 628 HD13 LEU 85 3HD1 LEU 85 -4.983 -0.213 7.644 629 HD21 LEU 85 1HD2 LEU 85 -3.259 -0.361 8.708 630 HD22 LEU 85 2HD2 LEU 85 -1.613 -0.248 8.087 631 HD23 LEU 85 3HD2 LEU 85 -2.514 -1.756 7.927 632 H LEU 86 H LEU 86 -0.811 -3.928 5.355 633 HA LEU 86 HA LEU 86 -0.696 -4.424 2.471 634 HB2 LEU 86 1HB LEU 86 1.218 -5.065 3.929 635 HB3 LEU 86 2HB LEU 86 0.158 -6.219 4.737 636 HG LEU 86 HG LEU 86 -0.150 -7.241 2.387 637 HD11 LEU 86 1HD1 LEU 86 2.076 -5.320 1.960 638 HD12 LEU 86 2HD1 LEU 86 0.791 -5.826 0.864 639 HD13 LEU 86 3HD1 LEU 86 2.160 -6.894 1.171 640 HD21 LEU 86 1HD2 LEU 86 2.444 -8.092 2.803 641 HD22 LEU 86 2HD2 LEU 86 0.991 -8.771 3.538 642 HD23 LEU 86 3HD2 LEU 86 1.923 -7.543 4.396 643 H PHE 87 H PHE 87 -1.819 -6.140 1.502 644 HA PHE 87 HA PHE 87 -3.924 -7.403 3.111 645 HB2 PHE 87 1HB PHE 87 -4.391 -6.152 0.397 646 HB3 PHE 87 2HB PHE 87 -5.592 -6.967 1.394 647 HD1 PHE 87 1HD PHE 87 -3.233 -4.088 1.463 648 HD2 PHE 87 2HD PHE 87 -6.922 -5.727 2.815 649 HE1 PHE 87 1HE PHE 87 -3.790 -1.945 2.536 650 HE2 PHE 87 2HE PHE 87 -7.484 -3.587 3.889 651 HZ PHE 87 HZ PHE 87 -5.916 -1.691 3.750 652 H ARG 88 H ARG 88 -3.902 -9.530 2.862 653 HA ARG 88 HA ARG 88 -3.101 -10.659 0.274 654 HB2 ARG 88 1HB ARG 88 -1.182 -10.696 1.898 655 HB3 ARG 88 2HB ARG 88 -2.150 -11.746 2.926 656 HG2 ARG 88 1HG ARG 88 -1.946 -13.541 1.524 657 HG3 ARG 88 2HG ARG 88 -1.719 -12.535 0.091 658 HD2 ARG 88 1HD ARG 88 0.518 -11.916 0.909 659 HD3 ARG 88 2HD ARG 88 0.286 -12.973 2.300 660 HE ARG 88 HE ARG 88 1.050 -13.755 -0.328 661 HH11 ARG 88 2HH1 ARG 88 -0.728 -14.782 2.483 662 HH12 ARG 88 1HH1 ARG 88 -0.519 -16.472 2.158 663 HH21 ARG 88 2HH2 ARG 88 1.333 -15.975 -0.765 664 HH22 ARG 88 1HH2 ARG 88 0.655 -17.149 0.311 665 H GLY 89 H GLY 89 -4.887 -11.652 -0.416 666 HA2 GLY 89 1HA GLY 89 -6.161 -13.719 -0.260 667 HA3 GLY 89 2HA GLY 89 -6.264 -13.452 1.475 668 H GLY 90 H GLY 90 -6.772 -10.516 0.901 669 HA2 GLY 90 1HA GLY 90 -8.739 -9.572 -0.443 670 HA3 GLY 90 2HA GLY 90 -9.649 -10.847 0.353 671 H LYS 91 H LYS 91 -7.439 -9.967 2.567 672 HA LYS 91 HA LYS 91 -8.948 -7.672 3.587 673 HB2 LYS 91 1HB LYS 91 -8.735 -10.359 4.823 674 HB3 LYS 91 2HB LYS 91 -8.548 -8.984 5.904 675 HG2 LYS 91 1HG LYS 91 -10.848 -8.947 4.038 676 HG3 LYS 91 2HG LYS 91 -10.904 -10.083 5.388 677 HD2 LYS 91 1HD LYS 91 -11.949 -8.066 6.111 678 HD3 LYS 91 2HD LYS 91 -10.376 -8.159 6.907 679 HE2 LYS 91 1HE LYS 91 -10.791 -5.908 6.091 680 HE3 LYS 91 2HE LYS 91 -9.442 -6.641 5.225 681 HZ1 LYS 91 1HZ LYS 91 -11.444 -5.404 4.011 682 HZ2 LYS 91 2HZ LYS 91 -12.072 -6.974 4.031 683 HZ3 LYS 91 3HZ LYS 91 -10.580 -6.671 3.295 684 H LYS 92 H LYS 92 -7.771 -7.172 5.910 685 HA LYS 92 HA LYS 92 -5.128 -6.349 5.138 686 HB2 LYS 92 1HB LYS 92 -5.970 -4.692 6.439 687 HB3 LYS 92 2HB LYS 92 -6.999 -5.788 7.351 688 HG2 LYS 92 1HG LYS 92 -5.229 -6.411 8.785 689 HG3 LYS 92 2HG LYS 92 -4.025 -5.648 7.745 690 HD2 LYS 92 1HD LYS 92 -4.691 -3.490 8.365 691 HD3 LYS 92 2HD LYS 92 -6.231 -4.056 9.013 692 HE2 LYS 92 1HE LYS 92 -3.687 -5.033 10.228 693 HE3 LYS 92 2HE LYS 92 -4.257 -3.410 10.614 694 HZ1 LYS 92 1HZ LYS 92 -5.700 -4.271 12.032 695 HZ2 LYS 92 2HZ LYS 92 -5.101 -5.821 11.717 696 HZ3 LYS 92 3HZ LYS 92 -6.402 -5.218 10.818 697 H VAL 93 H VAL 93 -3.176 -7.023 5.958 698 HA VAL 93 HA VAL 93 -3.241 -9.557 7.455 699 HB VAL 93 HB VAL 93 -0.918 -8.512 5.843 700 HG11 VAL 93 1HG1 VAL 93 0.112 -10.483 6.264 701 HG12 VAL 93 2HG1 VAL 93 -0.925 -10.456 7.691 702 HG13 VAL 93 3HG1 VAL 93 -1.397 -11.395 6.274 703 HG21 VAL 93 1HG2 VAL 93 -2.482 -10.704 4.693 704 HG22 VAL 93 2HG2 VAL 93 -3.329 -9.157 4.738 705 HG23 VAL 93 3HG2 VAL 93 -1.773 -9.288 3.918 706 H SER 94 H SER 94 -1.049 -6.770 7.032 707 HA SER 94 HA SER 94 -0.802 -6.545 9.928 708 HB2 SER 94 1HB SER 94 1.007 -8.114 9.033 709 HB3 SER 94 2HB SER 94 1.689 -6.700 8.229 710 HG SER 94 HG SER 94 2.186 -5.825 10.148 711 H GLU 95 H GLU 95 0.475 -4.577 10.540 712 HA GLU 95 HA GLU 95 -0.013 -2.439 8.574 713 HB2 GLU 95 1HB GLU 95 -1.410 -2.127 10.491 714 HB3 GLU 95 2HB GLU 95 -0.066 -2.403 11.590 715 HG2 GLU 95 1HG GLU 95 0.963 -0.321 10.416 716 HG3 GLU 95 2HG GLU 95 -0.705 0.001 9.950 717 H HIS 96 H HIS 96 1.743 -1.585 7.701 718 HA HIS 96 HA HIS 96 4.362 -2.179 8.484 719 HB2 HIS 96 1HB HIS 96 3.538 -1.326 6.221 720 HB3 HIS 96 2HB HIS 96 3.583 0.285 6.929 721 HD1 HIS 96 1HD HIS 96 6.051 0.972 7.907 722 HD2 HIS 96 2HD HIS 96 5.889 -2.111 5.127 723 HE1 HIS 96 1HE HIS 96 8.391 0.751 7.013 724 HE2 HIS 96 2HE HIS 96 8.250 -1.063 5.270 725 H SER 97 H SER 97 5.203 -1.641 10.392 726 HA SER 97 HA SER 97 4.840 1.129 11.333 727 HB2 SER 97 1HB SER 97 4.986 -1.439 12.917 728 HB3 SER 97 2HB SER 97 5.202 0.148 13.654 729 HG SER 97 HG SER 97 3.068 -0.265 13.849 730 H GLY 98 H GLY 98 6.845 0.903 9.667 731 HA2 GLY 98 1HA GLY 98 9.186 1.115 11.399 732 HA3 GLY 98 2HA GLY 98 9.274 -0.055 10.090 733 H GLY 99 H GLY 99 11.179 1.670 9.897 734 HA2 GLY 99 1HA GLY 99 11.008 4.189 8.982 735 HA3 GLY 99 2HA GLY 99 12.101 3.022 8.251 736 H ARG 100 H ARG 100 10.014 5.285 7.428 737 HA ARG 100 HA ARG 100 8.490 3.843 5.428 738 HB2 ARG 100 1HB ARG 100 8.692 6.782 6.096 739 HB3 ARG 100 2HB ARG 100 7.664 6.135 4.824 740 HG2 ARG 100 1HG ARG 100 6.565 4.721 6.601 741 HG3 ARG 100 2HG ARG 100 7.443 5.690 7.786 742 HD2 ARG 100 1HD ARG 100 5.883 7.109 5.692 743 HD3 ARG 100 2HD ARG 100 4.996 6.321 6.995 744 HE ARG 100 HE ARG 100 5.817 7.888 8.477 745 HH11 ARG 100 2HH1 ARG 100 7.424 8.184 5.403 746 HH12 ARG 100 1HH1 ARG 100 8.171 9.698 5.793 747 HH21 ARG 100 2HH2 ARG 100 6.795 9.880 9.002 748 HH22 ARG 100 1HH2 ARG 100 7.814 10.662 7.840 749 H ASP 101 H ASP 101 11.179 3.465 5.013 750 HA ASP 101 HA ASP 101 11.905 5.266 2.815 751 HB2 ASP 101 1HB ASP 101 13.627 3.094 4.006 752 HB3 ASP 101 2HB ASP 101 14.138 4.467 3.030 753 H LEU 102 H LEU 102 12.322 4.523 0.745 754 HA LEU 102 HA LEU 102 10.732 2.738 -0.460 755 HB2 LEU 102 1HB LEU 102 12.098 4.026 -1.848 756 HB3 LEU 102 2HB LEU 102 13.575 3.469 -1.062 757 HG LEU 102 HG LEU 102 13.248 1.250 -2.105 758 HD11 LEU 102 1HD1 LEU 102 10.787 1.428 -2.344 759 HD12 LEU 102 2HD1 LEU 102 11.605 0.923 -3.823 760 HD13 LEU 102 3HD1 LEU 102 11.035 2.584 -3.654 761 HD21 LEU 102 1HD2 LEU 102 14.736 2.721 -3.212 762 HD22 LEU 102 2HD2 LEU 102 13.411 3.671 -3.886 763 HD23 LEU 102 3HD2 LEU 102 13.701 2.028 -4.461 764 H ASP 103 H ASP 103 14.013 1.867 0.638 765 HA ASP 103 HA ASP 103 13.757 -0.886 0.136 766 HB2 ASP 103 1HB ASP 103 15.732 -1.145 1.578 767 HB3 ASP 103 2HB ASP 103 15.932 0.191 0.448 768 H SER 104 H SER 104 13.505 0.898 3.212 769 HA SER 104 HA SER 104 12.911 -1.157 4.919 770 HB2 SER 104 1HB SER 104 11.721 1.626 4.906 771 HB3 SER 104 2HB SER 104 11.644 0.509 6.268 772 HG SER 104 HG SER 104 13.525 2.208 5.829 773 H LEU 105 H LEU 105 10.988 0.042 2.344 774 HA LEU 105 HA LEU 105 8.525 -1.125 3.354 775 HB2 LEU 105 1HB LEU 105 9.215 0.323 0.807 776 HB3 LEU 105 2HB LEU 105 7.624 -0.364 1.128 777 HG LEU 105 HG LEU 105 8.905 1.737 2.866 778 HD11 LEU 105 1HD1 LEU 105 7.371 1.964 0.339 779 HD12 LEU 105 2HD1 LEU 105 8.629 3.007 1.001 780 HD13 LEU 105 3HD1 LEU 105 6.986 3.096 1.635 781 HD21 LEU 105 1HD2 LEU 105 7.149 1.454 4.191 782 HD22 LEU 105 2HD2 LEU 105 6.668 0.070 3.207 783 HD23 LEU 105 3HD2 LEU 105 6.043 1.677 2.835 784 H HIS 106 H HIS 106 10.939 -1.727 0.853 785 HA HIS 106 HA HIS 106 9.615 -3.861 -0.426 786 HB2 HIS 106 1HB HIS 106 11.727 -2.493 -1.136 787 HB3 HIS 106 2HB HIS 106 12.606 -3.731 -0.241 788 HD1 HIS 106 1HD HIS 106 13.581 -5.244 -1.934 789 HD2 HIS 106 2HD HIS 106 9.663 -4.210 -2.856 790 HE1 HIS 106 1HE HIS 106 13.000 -6.573 -3.989 791 HE2 HIS 106 2HE HIS 106 10.655 -5.867 -4.577 792 H ARG 107 H ARG 107 11.925 -3.773 2.255 793 HA ARG 107 HA ARG 107 12.243 -6.552 2.539 794 HB2 ARG 107 1HB ARG 107 13.137 -6.059 4.743 795 HB3 ARG 107 2HB ARG 107 13.737 -4.887 3.578 796 HG2 ARG 107 1HG ARG 107 11.860 -3.369 4.369 797 HG3 ARG 107 2HG ARG 107 11.664 -4.499 5.710 798 HD2 ARG 107 1HD ARG 107 14.085 -2.854 5.014 799 HD3 ARG 107 2HD ARG 107 13.088 -2.750 6.464 800 HE ARG 107 HE ARG 107 15.205 -4.633 5.939 801 HH11 ARG 107 2HH1 ARG 107 12.341 -3.961 7.799 802 HH12 ARG 107 1HH1 ARG 107 12.771 -5.030 9.092 803 HH21 ARG 107 2HH2 ARG 107 15.784 -6.043 7.636 804 HH22 ARG 107 1HH2 ARG 107 14.730 -6.213 8.998 805 H PHE 108 H PHE 108 10.058 -4.279 4.184 806 HA PHE 108 HA PHE 108 8.817 -5.941 5.968 807 HB2 PHE 108 1HB PHE 108 8.284 -3.590 5.897 808 HB3 PHE 108 2HB PHE 108 7.595 -3.748 4.284 809 HD1 PHE 108 2HD PHE 108 5.426 -4.823 3.958 810 HD2 PHE 108 1HD PHE 108 7.050 -4.218 7.846 811 HE1 PHE 108 2HE PHE 108 3.209 -5.230 4.945 812 HE2 PHE 108 1HE PHE 108 4.836 -4.625 8.838 813 HZ PHE 108 HZ PHE 108 2.912 -5.131 7.388 814 H VAL 109 H VAL 109 7.508 -5.258 2.718 815 HA VAL 109 HA VAL 109 5.537 -7.207 2.709 816 HB VAL 109 HB VAL 109 7.115 -6.260 0.313 817 HG11 VAL 109 1HG1 VAL 109 4.325 -7.393 0.485 818 HG12 VAL 109 2HG1 VAL 109 5.155 -6.863 -0.979 819 HG13 VAL 109 3HG1 VAL 109 5.745 -8.267 -0.089 820 HG21 VAL 109 1HG2 VAL 109 4.615 -5.125 1.564 821 HG22 VAL 109 2HG2 VAL 109 6.215 -4.382 1.579 822 HG23 VAL 109 3HG2 VAL 109 5.349 -4.579 0.055 823 H LEU 110 H LEU 110 8.911 -7.445 1.642 824 HA LEU 110 HA LEU 110 8.837 -10.028 0.601 825 HB2 LEU 110 1HB LEU 110 11.030 -8.457 1.924 826 HB3 LEU 110 2HB LEU 110 11.298 -10.068 1.260 827 HG LEU 110 HG LEU 110 10.227 -7.819 -0.421 828 HD11 LEU 110 1HD1 LEU 110 12.689 -7.735 0.813 829 HD12 LEU 110 2HD1 LEU 110 12.227 -6.864 -0.648 830 HD13 LEU 110 3HD1 LEU 110 13.047 -8.421 -0.772 831 HD21 LEU 110 1HD2 LEU 110 11.957 -9.914 -1.535 832 HD22 LEU 110 2HD2 LEU 110 10.455 -9.228 -2.156 833 HD23 LEU 110 3HD2 LEU 110 10.406 -10.480 -0.915 834 H SER 111 H SER 111 8.804 -8.924 3.881 835 HA SER 111 HA SER 111 9.456 -11.554 4.946 836 HB2 SER 111 1HB SER 111 10.303 -9.463 6.033 837 HB3 SER 111 2HB SER 111 8.638 -9.057 6.448 838 HG SER 111 HG SER 111 9.599 -11.580 7.167 839 H GLN 112 H GLN 112 6.709 -9.315 4.848 840 HA GLN 112 HA GLN 112 4.911 -10.848 6.345 841 HB2 GLN 112 1HB GLN 112 4.630 -8.697 4.290 842 HB3 GLN 112 2HB GLN 112 3.195 -9.584 4.785 843 HG2 GLN 112 1HG GLN 112 4.981 -7.842 6.444 844 HG3 GLN 112 2HG GLN 112 3.250 -7.687 6.147 845 HE21 GLN 112 1HE2 GLN 112 5.050 -8.039 8.595 846 HE22 GLN 112 2HE2 GLN 112 4.262 -9.283 9.499 847 H ALA 113 H ALA 113 4.995 -10.523 2.790 848 HA ALA 113 HA ALA 113 3.185 -12.442 2.098 849 HB1 ALA 113 1HB ALA 113 3.846 -11.741 0.100 850 HB2 ALA 113 2HB ALA 113 5.321 -11.062 0.789 851 HB3 ALA 113 3HB ALA 113 5.290 -12.742 0.254 852 H LYS 114 H LYS 114 6.624 -12.959 2.811 853 HA LYS 114 HA LYS 114 7.051 -15.543 2.211 854 HB2 LYS 114 1HB LYS 114 8.442 -13.808 3.647 855 HB3 LYS 114 2HB LYS 114 7.785 -14.734 4.991 856 HG2 LYS 114 1HG LYS 114 9.775 -15.810 4.619 857 HG3 LYS 114 2HG LYS 114 8.667 -16.785 3.650 858 HD2 LYS 114 1HD LYS 114 9.353 -15.026 1.785 859 HD3 LYS 114 2HD LYS 114 10.796 -14.895 2.792 860 HE2 LYS 114 1HE LYS 114 11.281 -17.205 2.547 861 HE3 LYS 114 2HE LYS 114 9.703 -17.530 1.834 862 HZ1 LYS 114 1HZ LYS 114 10.840 -15.625 0.220 863 HZ2 LYS 114 2HZ LYS 114 10.682 -17.273 -0.125 864 HZ3 LYS 114 3HZ LYS 114 12.109 -16.688 0.569 865 H ASP 115 H ASP 115 5.789 -17.266 2.411 866 HA ASP 115 HA ASP 115 3.872 -17.477 4.567 867 HB2 ASP 115 1HB ASP 115 4.483 -19.137 2.132 868 HB3 ASP 115 2HB ASP 115 3.391 -19.722 3.384 869 H GLU 116 H GLU 116 4.627 -18.070 6.499 870 HA GLU 116 HA GLU 116 6.759 -20.070 6.659 871 HB2 GLU 116 1HB GLU 116 6.503 -19.387 9.198 872 HB3 GLU 116 2HB GLU 116 7.396 -18.378 8.069 873 HG2 GLU 116 1HG GLU 116 5.720 -16.785 7.960 874 HG3 GLU 116 2HG GLU 116 4.486 -17.901 8.541 875 H LEU 117 H LEU 117 6.179 -22.120 6.868 876 HA LEU 117 HA LEU 117 3.568 -22.778 8.004 877 HB2 LEU 117 1HB LEU 117 5.588 -24.492 6.565 878 HB3 LEU 117 2HB LEU 117 4.012 -25.041 7.132 879 HG LEU 117 HG LEU 117 3.117 -23.127 5.588 880 HD11 LEU 117 1HD1 LEU 117 5.937 -23.125 5.010 881 HD12 LEU 117 2HD1 LEU 117 4.675 -22.028 4.451 882 HD13 LEU 117 3HD1 LEU 117 5.000 -23.520 3.569 883 HD21 LEU 117 1HD2 LEU 117 2.735 -24.711 3.902 884 HD22 LEU 117 2HD2 LEU 117 2.891 -25.658 5.382 885 HD23 LEU 117 3HD2 LEU 117 4.237 -25.569 4.246 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -10.885 -1.866 -17.144 2 HA2 GLY 1 1HA GLY 1 -13.518 -2.244 -16.146 3 HA3 GLY 1 2HA GLY 1 -13.522 -2.276 -17.904 4 H SER 2 H SER 2 -11.147 -3.549 -18.448 5 HA SER 2 HA SER 2 -11.547 -6.191 -17.203 6 HB2 SER 2 1HB SER 2 -12.221 -5.839 -19.687 7 HB3 SER 2 2HB SER 2 -10.485 -5.843 -19.996 8 HG SER 2 HG SER 2 -12.031 -7.906 -18.815 9 H SER 3 H SER 3 -9.183 -4.095 -18.825 10 HA SER 3 HA SER 3 -7.095 -5.276 -17.127 11 HB2 SER 3 1HB SER 3 -5.563 -5.477 -18.920 12 HB3 SER 3 2HB SER 3 -7.075 -6.136 -19.543 13 HG SER 3 HG SER 3 -7.443 -4.121 -20.559 14 H GLY 4 H GLY 4 -5.029 -3.867 -17.277 15 HA2 GLY 4 1HA GLY 4 -4.397 -1.484 -17.878 16 HA3 GLY 4 2HA GLY 4 -5.893 -1.053 -17.063 17 H SER 5 H SER 5 -2.833 -0.690 -16.609 18 HA SER 5 HA SER 5 -2.977 -0.523 -13.791 19 HB2 SER 5 1HB SER 5 -1.210 -2.213 -13.261 20 HB3 SER 5 2HB SER 5 -2.722 -2.929 -13.818 21 HG SER 5 HG SER 5 -0.810 -3.818 -14.810 22 H SER 6 H SER 6 -1.567 0.973 -13.120 23 HA SER 6 HA SER 6 0.325 2.037 -15.045 24 HB2 SER 6 1HB SER 6 -0.403 3.001 -12.269 25 HB3 SER 6 2HB SER 6 0.606 3.871 -13.423 26 HG SER 6 HG SER 6 -1.214 3.920 -14.830 27 H GLY 7 H GLY 7 2.552 2.364 -14.619 28 HA2 GLY 7 1HA GLY 7 3.707 0.223 -13.013 29 HA3 GLY 7 2HA GLY 7 4.559 1.234 -14.170 30 H THR 8 H THR 8 2.701 3.205 -12.260 31 HA THR 8 HA THR 8 4.998 3.778 -10.508 32 HB THR 8 HB THR 8 3.874 6.065 -10.275 33 HG1 THR 8 1HG THR 8 2.117 6.394 -11.398 34 HG21 THR 8 1HG2 THR 8 5.696 5.054 -12.132 35 HG22 THR 8 2HG2 THR 8 5.440 6.748 -11.711 36 HG23 THR 8 3HG2 THR 8 4.580 6.038 -13.077 37 H VAL 9 H VAL 9 1.449 4.184 -10.502 38 HA VAL 9 HA VAL 9 1.241 2.870 -7.941 39 HB VAL 9 HB VAL 9 0.568 5.805 -8.182 40 HG11 VAL 9 1HG1 VAL 9 -0.766 3.876 -6.695 41 HG12 VAL 9 2HG1 VAL 9 0.325 4.647 -5.541 42 HG13 VAL 9 3HG1 VAL 9 -0.825 5.623 -6.455 43 HG21 VAL 9 1HG2 VAL 9 2.908 5.511 -7.791 44 HG22 VAL 9 2HG2 VAL 9 2.166 5.998 -6.267 45 HG23 VAL 9 3HG2 VAL 9 2.602 4.311 -6.535 46 H LEU 10 H LEU 10 -0.676 1.876 -7.755 47 HA LEU 10 HA LEU 10 -2.635 2.280 -9.865 48 HB2 LEU 10 1HB LEU 10 -2.088 0.174 -7.838 49 HB3 LEU 10 2HB LEU 10 -3.724 0.312 -8.476 50 HG LEU 10 HG LEU 10 -2.402 0.236 -10.789 51 HD11 LEU 10 1HD1 LEU 10 -0.200 0.126 -9.726 52 HD12 LEU 10 2HD1 LEU 10 -0.542 -1.324 -10.669 53 HD13 LEU 10 3HD1 LEU 10 -0.670 -1.367 -8.912 54 HD21 LEU 10 1HD2 LEU 10 -3.384 -1.774 -11.038 55 HD22 LEU 10 2HD2 LEU 10 -4.095 -1.399 -9.468 56 HD23 LEU 10 3HD2 LEU 10 -2.666 -2.429 -9.566 57 H ALA 11 H ALA 11 -4.037 3.887 -9.544 58 HA ALA 11 HA ALA 11 -4.874 4.692 -6.911 59 HB1 ALA 11 1HB ALA 11 -4.789 6.538 -8.241 60 HB2 ALA 11 2HB ALA 11 -5.318 5.664 -9.680 61 HB3 ALA 11 3HB ALA 11 -6.491 6.122 -8.446 62 H LEU 12 H LEU 12 -5.988 2.968 -6.012 63 HA LEU 12 HA LEU 12 -8.135 1.655 -7.377 64 HB2 LEU 12 1HB LEU 12 -7.298 1.664 -4.484 65 HB3 LEU 12 2HB LEU 12 -8.586 0.654 -5.137 66 HG LEU 12 HG LEU 12 -5.653 0.503 -5.827 67 HD11 LEU 12 1HD1 LEU 12 -6.986 -1.870 -4.809 68 HD12 LEU 12 2HD1 LEU 12 -6.998 -0.533 -3.660 69 HD13 LEU 12 3HD1 LEU 12 -5.469 -1.120 -4.312 70 HD21 LEU 12 1HD2 LEU 12 -7.991 -1.093 -6.870 71 HD22 LEU 12 2HD2 LEU 12 -6.292 -1.463 -7.163 72 HD23 LEU 12 3HD2 LEU 12 -6.990 0.030 -7.792 73 H THR 13 H THR 13 -10.364 1.719 -6.808 74 HA THR 13 HA THR 13 -11.206 4.205 -5.471 75 HB THR 13 HB THR 13 -13.017 4.478 -7.049 76 HG1 THR 13 1HG THR 13 -13.217 3.039 -8.821 77 HG21 THR 13 1HG2 THR 13 -10.401 4.965 -7.611 78 HG22 THR 13 2HG2 THR 13 -11.750 5.482 -8.623 79 HG23 THR 13 3HG2 THR 13 -10.878 4.000 -9.007 80 H GLU 14 H GLU 14 -13.475 4.137 -4.690 81 HA GLU 14 HA GLU 14 -13.914 1.956 -3.007 82 HB2 GLU 14 1HB GLU 14 -14.879 4.389 -2.974 83 HB3 GLU 14 2HB GLU 14 -16.188 3.683 -3.910 84 HG2 GLU 14 1HG GLU 14 -16.209 1.918 -1.980 85 HG3 GLU 14 2HG GLU 14 -15.405 3.203 -1.080 86 H ASN 15 H ASN 15 -14.431 2.207 -6.321 87 HA ASN 15 HA ASN 15 -16.585 0.235 -6.371 88 HB2 ASN 15 1HB ASN 15 -15.388 2.113 -8.347 89 HB3 ASN 15 2HB ASN 15 -16.086 0.621 -8.970 90 HD21 ASN 15 1HD2 ASN 15 -16.742 3.732 -8.476 91 HD22 ASN 15 2HD2 ASN 15 -18.450 3.662 -8.221 92 H ASN 16 H ASN 16 -13.168 0.559 -7.051 93 HA ASN 16 HA ASN 16 -13.038 -2.346 -7.476 94 HB2 ASN 16 1HB ASN 16 -11.043 -1.750 -9.044 95 HB3 ASN 16 2HB ASN 16 -12.688 -1.629 -9.663 96 HD21 ASN 16 1HD2 ASN 16 -10.219 0.317 -8.030 97 HD22 ASN 16 2HD2 ASN 16 -10.563 1.780 -8.883 98 H PHE 17 H PHE 17 -12.656 -1.074 -5.031 99 HA PHE 17 HA PHE 17 -9.767 -0.888 -4.651 100 HB2 PHE 17 1HB PHE 17 -10.908 0.855 -3.536 101 HB3 PHE 17 2HB PHE 17 -12.134 -0.240 -2.907 102 HD1 PHE 17 1HD PHE 17 -11.193 -2.140 -1.333 103 HD2 PHE 17 2HD PHE 17 -9.248 1.564 -2.120 104 HE1 PHE 17 1HE PHE 17 -9.917 -2.369 0.758 105 HE2 PHE 17 2HE PHE 17 -7.969 1.341 -0.031 106 HZ PHE 17 HZ PHE 17 -8.301 -0.628 1.411 107 H ASP 18 H ASP 18 -12.529 -2.850 -3.684 108 HA ASP 18 HA ASP 18 -10.905 -4.581 -2.030 109 HB2 ASP 18 1HB ASP 18 -12.935 -5.749 -1.531 110 HB3 ASP 18 2HB ASP 18 -13.306 -4.027 -1.520 111 H ASP 19 H ASP 19 -12.446 -4.678 -5.198 112 HA ASP 19 HA ASP 19 -12.060 -7.364 -5.816 113 HB2 ASP 19 1HB ASP 19 -13.423 -5.918 -7.213 114 HB3 ASP 19 2HB ASP 19 -12.013 -4.955 -7.645 115 H THR 20 H THR 20 -9.846 -4.637 -6.030 116 HA THR 20 HA THR 20 -7.801 -5.935 -7.478 117 HB THR 20 HB THR 20 -7.600 -3.636 -5.524 118 HG1 THR 20 1HG THR 20 -8.914 -3.433 -7.531 119 HG21 THR 20 1HG2 THR 20 -5.631 -4.154 -7.713 120 HG22 THR 20 2HG2 THR 20 -5.476 -5.021 -6.184 121 HG23 THR 20 3HG2 THR 20 -5.426 -3.258 -6.208 122 H ILE 21 H ILE 21 -7.813 -5.095 -4.008 123 HA ILE 21 HA ILE 21 -5.623 -6.558 -3.226 124 HB ILE 21 HB ILE 21 -6.594 -6.637 -0.971 125 HG12 ILE 21 1HG1 ILE 21 -9.087 -5.565 -2.312 126 HG13 ILE 21 2HG1 ILE 21 -8.909 -7.169 -1.609 127 HG21 ILE 21 1HG2 ILE 21 -5.710 -4.492 -2.226 128 HG22 ILE 21 2HG2 ILE 21 -7.372 -3.954 -1.984 129 HG23 ILE 21 3HG2 ILE 21 -6.378 -4.395 -0.596 130 HD11 ILE 21 1HD1 ILE 21 -10.138 -5.586 -0.172 131 HD12 ILE 21 2HD1 ILE 21 -8.682 -6.232 0.588 132 HD13 ILE 21 3HD1 ILE 21 -8.682 -4.595 -0.070 133 H ALA 22 H ALA 22 -8.929 -7.673 -3.713 134 HA ALA 22 HA ALA 22 -8.856 -10.168 -2.556 135 HB1 ALA 22 1HB ALA 22 -10.849 -10.402 -3.519 136 HB2 ALA 22 2HB ALA 22 -10.588 -8.810 -4.232 137 HB3 ALA 22 3HB ALA 22 -10.167 -10.261 -5.140 138 H GLU 23 H GLU 23 -7.583 -9.177 -5.700 139 HA GLU 23 HA GLU 23 -6.651 -11.882 -6.250 140 HB2 GLU 23 1HB GLU 23 -6.800 -9.340 -7.827 141 HB3 GLU 23 2HB GLU 23 -5.712 -10.620 -8.344 142 HG2 GLU 23 1HG GLU 23 -7.871 -12.101 -8.079 143 HG3 GLU 23 2HG GLU 23 -8.681 -10.551 -8.302 144 H GLY 24 H GLY 24 -4.667 -12.574 -5.793 145 HA2 GLY 24 1HA GLY 24 -2.529 -12.554 -4.933 146 HA3 GLY 24 2HA GLY 24 -2.271 -11.297 -6.135 147 H ILE 25 H ILE 25 -0.674 -10.778 -4.305 148 HA ILE 25 HA ILE 25 -1.819 -9.441 -2.013 149 HB ILE 25 HB ILE 25 1.061 -9.482 -2.920 150 HG12 ILE 25 1HG1 ILE 25 -0.230 -11.232 -0.825 151 HG13 ILE 25 2HG1 ILE 25 0.003 -11.747 -2.492 152 HG21 ILE 25 1HG2 ILE 25 -0.331 -8.183 -0.748 153 HG22 ILE 25 2HG2 ILE 25 0.916 -9.277 -0.151 154 HG23 ILE 25 3HG2 ILE 25 1.338 -7.996 -1.287 155 HD11 ILE 25 1HD1 ILE 25 1.756 -12.179 -0.478 156 HD12 ILE 25 2HD1 ILE 25 2.182 -12.139 -2.189 157 HD13 ILE 25 3HD1 ILE 25 2.409 -10.704 -1.190 158 H THR 26 H THR 26 -2.171 -7.317 -1.768 159 HA THR 26 HA THR 26 -1.074 -5.462 -3.767 160 HB THR 26 HB THR 26 -3.950 -5.529 -2.836 161 HG1 THR 26 1HG THR 26 -3.972 -6.844 -4.521 162 HG21 THR 26 1HG2 THR 26 -2.420 -3.513 -4.469 163 HG22 THR 26 2HG2 THR 26 -3.366 -3.239 -3.005 164 HG23 THR 26 3HG2 THR 26 -4.178 -3.641 -4.518 165 H PHE 27 H PHE 27 0.047 -3.927 -2.780 166 HA PHE 27 HA PHE 27 -0.424 -3.372 0.039 167 HB2 PHE 27 1HB PHE 27 1.888 -3.701 -1.196 168 HB3 PHE 27 2HB PHE 27 1.695 -1.987 -1.551 169 HD1 PHE 27 1HD PHE 27 0.829 -3.949 1.492 170 HD2 PHE 27 2HD PHE 27 3.205 -0.861 -0.220 171 HE1 PHE 27 1HE PHE 27 1.708 -3.393 3.722 172 HE2 PHE 27 2HE PHE 27 4.088 -0.301 2.006 173 HZ PHE 27 HZ PHE 27 3.341 -1.568 3.981 174 H ILE 28 H ILE 28 -1.916 -1.902 0.510 175 HA ILE 28 HA ILE 28 -2.320 0.368 -1.304 176 HB ILE 28 HB ILE 28 -4.054 -0.404 1.038 177 HG12 ILE 28 1HG1 ILE 28 -4.457 -1.144 -1.867 178 HG13 ILE 28 2HG1 ILE 28 -3.857 -2.252 -0.638 179 HG21 ILE 28 1HG2 ILE 28 -4.915 1.092 -1.405 180 HG22 ILE 28 2HG2 ILE 28 -5.623 1.086 0.209 181 HG23 ILE 28 3HG2 ILE 28 -4.101 1.928 -0.083 182 HD11 ILE 28 1HD1 ILE 28 -6.430 -0.872 -0.123 183 HD12 ILE 28 2HD1 ILE 28 -6.398 -2.169 -1.319 184 HD13 ILE 28 3HD1 ILE 28 -5.893 -2.487 0.340 185 H LYS 29 H LYS 29 -2.297 2.499 -0.575 186 HA LYS 29 HA LYS 29 -1.217 2.941 2.125 187 HB2 LYS 29 1HB LYS 29 0.674 3.157 0.689 188 HB3 LYS 29 2HB LYS 29 -0.234 4.109 -0.477 189 HG2 LYS 29 1HG LYS 29 -0.491 5.718 1.621 190 HG3 LYS 29 2HG LYS 29 1.016 4.921 2.080 191 HD2 LYS 29 1HD LYS 29 1.375 7.002 0.790 192 HD3 LYS 29 2HD LYS 29 2.045 5.576 -0.005 193 HE2 LYS 29 1HE LYS 29 0.437 5.580 -1.659 194 HE3 LYS 29 2HE LYS 29 -0.727 6.460 -0.671 195 HZ1 LYS 29 1HZ LYS 29 0.738 8.429 -0.889 196 HZ2 LYS 29 2HZ LYS 29 0.080 7.911 -2.359 197 HZ3 LYS 29 3HZ LYS 29 1.693 7.564 -1.986 198 H PHE 30 H PHE 30 -2.200 4.503 3.256 199 HA PHE 30 HA PHE 30 -4.175 6.164 1.842 200 HB2 PHE 30 1HB PHE 30 -4.119 5.544 4.798 201 HB3 PHE 30 2HB PHE 30 -5.435 6.268 3.880 202 HD1 PHE 30 1HD PHE 30 -3.502 3.149 4.352 203 HD2 PHE 30 2HD PHE 30 -7.057 4.936 2.839 204 HE1 PHE 30 1HE PHE 30 -4.466 0.914 3.985 205 HE2 PHE 30 2HE PHE 30 -8.026 2.705 2.470 206 HZ PHE 30 HZ PHE 30 -6.731 0.690 3.044 207 H TYR 31 H TYR 31 -3.091 7.994 1.323 208 HA TYR 31 HA TYR 31 -1.703 9.409 3.503 209 HB2 TYR 31 1HB TYR 31 -0.238 10.370 1.939 210 HB3 TYR 31 2HB TYR 31 -0.404 8.703 1.397 211 HD1 TYR 31 1HD TYR 31 -1.748 8.177 -0.605 212 HD2 TYR 31 2HD TYR 31 -1.037 12.194 0.605 213 HE1 TYR 31 1HE TYR 31 -2.439 8.964 -2.830 214 HE2 TYR 31 2HE TYR 31 -1.727 12.992 -1.617 215 HH TYR 31 HH TYR 31 -2.845 10.730 -4.116 216 H ALA 32 H ALA 32 -1.599 11.911 2.775 217 HA ALA 32 HA ALA 32 -4.311 12.751 2.011 218 HB1 ALA 32 1HB ALA 32 -4.754 13.723 3.965 219 HB2 ALA 32 2HB ALA 32 -3.388 12.816 4.615 220 HB3 ALA 32 3HB ALA 32 -3.158 14.468 4.045 221 HA PRO 33 HA PRO 33 -2.005 15.414 -0.675 222 HB2 PRO 33 1HB PRO 33 -4.100 16.910 -1.536 223 HB3 PRO 33 2HB PRO 33 -3.802 15.261 -2.099 224 HG2 PRO 33 1HG PRO 33 -5.710 16.231 -0.007 225 HG3 PRO 33 2HG PRO 33 -5.965 15.024 -1.280 226 HD2 PRO 33 1HD PRO 33 -5.440 14.344 1.288 227 HD3 PRO 33 2HD PRO 33 -4.905 13.359 -0.089 228 H TRP 34 H TRP 34 -3.352 16.226 2.253 229 HA TRP 34 HA TRP 34 -2.492 19.035 2.008 230 HB2 TRP 34 1HB TRP 34 -3.995 19.453 3.980 231 HB3 TRP 34 2HB TRP 34 -4.836 18.979 2.506 232 HD1 TRP 34 HD TRP 34 -6.344 16.867 2.620 233 HE1 TRP 34 1HE TRP 34 -6.933 15.172 4.464 234 HE3 TRP 34 3HE TRP 34 -2.875 18.236 6.117 235 HZ2 TRP 34 2HZ TRP 34 -6.045 14.505 7.060 236 HZ3 TRP 34 3HZ TRP 34 -2.812 17.020 8.255 237 HH2 TRP 34 HH TRP 34 -4.365 15.193 8.714 238 H CYS 35 H CYS 35 -1.687 16.068 3.282 239 HA CYS 35 HA CYS 35 -0.576 16.960 5.781 240 HB2 CYS 35 1HB CYS 35 -1.400 14.563 5.040 241 HB3 CYS 35 2HB CYS 35 0.260 14.402 4.478 242 HG CYS 35 HG CYS 35 -0.659 15.108 7.700 243 H GLY 36 H GLY 36 1.807 16.404 6.226 244 HA2 GLY 36 1HA GLY 36 3.389 17.669 4.091 245 HA3 GLY 36 2HA GLY 36 3.806 17.658 5.798 246 H HIS 37 H HIS 37 3.703 15.084 6.526 247 HA HIS 37 HA HIS 37 6.104 14.012 5.660 248 HB2 HIS 37 1HB HIS 37 3.714 12.629 6.891 249 HB3 HIS 37 2HB HIS 37 5.288 11.867 6.681 250 HD1 HIS 37 1HD HIS 37 6.626 11.920 8.746 251 HD2 HIS 37 2HD HIS 37 4.129 15.228 8.455 252 HE1 HIS 37 1HE HIS 37 7.034 13.255 10.837 253 HE2 HIS 37 2HE HIS 37 5.451 15.207 10.679 254 H CYS 38 H CYS 38 2.863 13.547 4.397 255 HA CYS 38 HA CYS 38 3.332 11.327 2.762 256 HB2 CYS 38 1HB CYS 38 1.266 11.759 1.809 257 HB3 CYS 38 2HB CYS 38 1.122 12.602 3.346 258 HG CYS 38 HG CYS 38 2.142 15.021 1.847 259 H LYS 39 H LYS 39 4.114 14.696 2.343 260 HA LYS 39 HA LYS 39 4.556 14.703 -0.436 261 HB2 LYS 39 1HB LYS 39 5.814 16.378 1.744 262 HB3 LYS 39 2HB LYS 39 5.971 16.704 0.023 263 HG2 LYS 39 1HG LYS 39 3.361 16.693 0.079 264 HG3 LYS 39 2HG LYS 39 3.600 17.000 1.801 265 HD2 LYS 39 1HD LYS 39 5.097 18.910 1.148 266 HD3 LYS 39 2HD LYS 39 4.571 18.661 -0.518 267 HE2 LYS 39 1HE LYS 39 3.066 20.251 0.125 268 HE3 LYS 39 2HE LYS 39 2.179 18.800 0.590 269 HZ1 LYS 39 1HZ LYS 39 2.161 20.471 2.342 270 HZ2 LYS 39 2HZ LYS 39 3.851 20.449 2.408 271 HZ3 LYS 39 3HZ LYS 39 2.971 19.074 2.850 272 H THR 40 H THR 40 6.533 13.688 2.264 273 HA THR 40 HA THR 40 8.963 13.481 0.756 274 HB THR 40 HB THR 40 8.332 12.113 3.375 275 HG1 THR 40 1HG THR 40 8.165 14.622 3.051 276 HG21 THR 40 1HG2 THR 40 10.467 11.685 1.854 277 HG22 THR 40 2HG2 THR 40 10.581 11.760 3.612 278 HG23 THR 40 3HG2 THR 40 11.015 13.164 2.639 279 H LEU 41 H LEU 41 6.377 11.283 1.696 280 HA LEU 41 HA LEU 41 7.723 8.965 0.629 281 HB2 LEU 41 1HB LEU 41 6.236 8.764 2.551 282 HB3 LEU 41 2HB LEU 41 4.886 9.346 1.577 283 HG LEU 41 HG LEU 41 5.346 7.271 0.109 284 HD11 LEU 41 1HD1 LEU 41 6.965 5.889 0.719 285 HD12 LEU 41 2HD1 LEU 41 6.199 5.664 2.292 286 HD13 LEU 41 3HD1 LEU 41 7.373 6.959 2.061 287 HD21 LEU 41 1HD2 LEU 41 3.324 7.224 1.191 288 HD22 LEU 41 2HD2 LEU 41 4.050 7.389 2.790 289 HD23 LEU 41 3HD2 LEU 41 4.129 5.845 1.942 290 H ALA 42 H ALA 42 5.580 11.402 -0.524 291 HA ALA 42 HA ALA 42 4.061 10.424 -2.475 292 HB1 ALA 42 1HB ALA 42 5.549 12.467 -3.768 293 HB2 ALA 42 2HB ALA 42 3.958 12.572 -3.013 294 HB3 ALA 42 3HB ALA 42 5.409 12.885 -2.060 295 HA PRO 43 HA PRO 43 7.667 9.786 -5.621 296 HB2 PRO 43 1HB PRO 43 10.204 10.053 -4.694 297 HB3 PRO 43 2HB PRO 43 9.275 11.404 -5.352 298 HG2 PRO 43 1HG PRO 43 9.749 10.644 -2.495 299 HG3 PRO 43 2HG PRO 43 9.786 12.250 -3.247 300 HD2 PRO 43 1HD PRO 43 7.659 11.351 -1.832 301 HD3 PRO 43 2HD PRO 43 7.490 12.457 -3.210 302 H THR 44 H THR 44 8.483 8.866 -2.293 303 HA THR 44 HA THR 44 9.877 6.515 -2.823 304 HB THR 44 HB THR 44 8.069 7.072 -0.463 305 HG1 THR 44 1HG THR 44 10.886 7.376 -0.553 306 HG21 THR 44 1HG2 THR 44 9.139 4.674 -1.097 307 HG22 THR 44 2HG2 THR 44 8.876 5.221 0.558 308 HG23 THR 44 3HG2 THR 44 10.469 5.380 -0.180 309 H TRP 45 H TRP 45 6.435 6.805 -1.919 310 HA TRP 45 HA TRP 45 5.620 4.228 -2.148 311 HB2 TRP 45 1HB TRP 45 4.220 6.289 -1.595 312 HB3 TRP 45 2HB TRP 45 4.003 6.482 -3.332 313 HD1 TRP 45 HD TRP 45 1.751 5.550 -4.076 314 HE1 TRP 45 1HE TRP 45 0.243 3.578 -3.399 315 HE3 TRP 45 3HE TRP 45 4.611 3.597 -0.316 316 HZ2 TRP 45 2HZ TRP 45 0.264 1.473 -1.518 317 HZ3 TRP 45 3HZ TRP 45 3.795 1.603 0.873 318 HH2 TRP 45 HH TRP 45 1.666 0.565 0.283 319 H GLU 46 H GLU 46 6.096 6.504 -4.819 320 HA GLU 46 HA GLU 46 5.171 4.782 -6.862 321 HB2 GLU 46 1HB GLU 46 7.026 7.162 -6.919 322 HB3 GLU 46 2HB GLU 46 6.498 6.320 -8.370 323 HG2 GLU 46 1HG GLU 46 4.308 7.029 -8.145 324 HG3 GLU 46 2HG GLU 46 4.492 7.378 -6.426 325 H GLU 47 H GLU 47 8.409 5.449 -5.580 326 HA GLU 47 HA GLU 47 9.901 3.930 -7.366 327 HB2 GLU 47 1HB GLU 47 10.417 4.353 -4.418 328 HB3 GLU 47 2HB GLU 47 11.604 3.812 -5.595 329 HG2 GLU 47 1HG GLU 47 11.832 5.879 -6.530 330 HG3 GLU 47 2HG GLU 47 10.196 6.375 -6.102 331 H LEU 48 H LEU 48 8.206 2.950 -4.426 332 HA LEU 48 HA LEU 48 9.156 0.334 -4.236 333 HB2 LEU 48 1HB LEU 48 7.805 1.546 -2.530 334 HB3 LEU 48 2HB LEU 48 6.384 1.291 -3.541 335 HG LEU 48 HG LEU 48 6.678 -1.154 -3.264 336 HD11 LEU 48 1HD1 LEU 48 8.318 -1.134 -0.938 337 HD12 LEU 48 2HD1 LEU 48 9.203 -0.372 -2.260 338 HD13 LEU 48 3HD1 LEU 48 8.557 -2.001 -2.455 339 HD21 LEU 48 1HD2 LEU 48 6.301 0.610 -0.865 340 HD22 LEU 48 2HD2 LEU 48 6.115 -1.141 -0.770 341 HD23 LEU 48 3HD2 LEU 48 5.080 -0.202 -1.846 342 H SER 49 H SER 49 6.536 1.694 -6.159 343 HA SER 49 HA SER 49 5.365 -0.694 -7.027 344 HB2 SER 49 1HB SER 49 4.258 0.597 -8.671 345 HB3 SER 49 2HB SER 49 4.518 1.711 -7.328 346 HG SER 49 HG SER 49 5.535 2.909 -8.706 347 H LYS 50 H LYS 50 8.135 1.108 -8.239 348 HA LYS 50 HA LYS 50 8.482 -0.412 -10.614 349 HB2 LYS 50 1HB LYS 50 10.446 1.268 -9.045 350 HB3 LYS 50 2HB LYS 50 10.753 0.606 -10.646 351 HG2 LYS 50 1HG LYS 50 9.143 1.990 -11.647 352 HG3 LYS 50 2HG LYS 50 8.422 2.412 -10.092 353 HD2 LYS 50 1HD LYS 50 10.463 3.617 -9.475 354 HD3 LYS 50 2HD LYS 50 11.183 3.193 -11.030 355 HE2 LYS 50 1HE LYS 50 9.439 4.438 -12.189 356 HE3 LYS 50 2HE LYS 50 8.675 4.828 -10.648 357 HZ1 LYS 50 1HZ LYS 50 10.292 6.501 -11.800 358 HZ2 LYS 50 2HZ LYS 50 11.485 5.566 -11.049 359 HZ3 LYS 50 3HZ LYS 50 10.296 6.324 -10.117 360 H LYS 51 H LYS 51 9.552 -0.785 -7.307 361 HA LYS 51 HA LYS 51 11.622 -2.616 -7.641 362 HB2 LYS 51 1HB LYS 51 9.592 -2.483 -5.403 363 HB3 LYS 51 2HB LYS 51 11.126 -3.338 -5.336 364 HG2 LYS 51 1HG LYS 51 10.894 -0.376 -5.798 365 HG3 LYS 51 2HG LYS 51 11.098 -1.111 -4.206 366 HD2 LYS 51 1HD LYS 51 12.994 -1.684 -6.464 367 HD3 LYS 51 2HD LYS 51 13.199 -0.278 -5.417 368 HE2 LYS 51 1HE LYS 51 12.911 -2.114 -3.527 369 HE3 LYS 51 2HE LYS 51 13.503 -3.171 -4.808 370 HZ1 LYS 51 1HZ LYS 51 15.253 -1.196 -4.993 371 HZ2 LYS 51 2HZ LYS 51 15.481 -2.529 -3.977 372 HZ3 LYS 51 3HZ LYS 51 14.891 -1.075 -3.345 373 H GLU 52 H GLU 52 11.333 -4.972 -6.673 374 HA GLU 52 HA GLU 52 8.946 -6.265 -7.745 375 HB2 GLU 52 1HB GLU 52 11.628 -7.390 -8.481 376 HB3 GLU 52 2HB GLU 52 10.060 -7.701 -9.213 377 HG2 GLU 52 1HG GLU 52 10.098 -5.301 -10.001 378 HG3 GLU 52 2HG GLU 52 11.791 -5.268 -9.507 379 H PHE 53 H PHE 53 8.320 -8.009 -6.594 380 HA PHE 53 HA PHE 53 10.043 -8.800 -4.349 381 HB2 PHE 53 1HB PHE 53 7.098 -9.389 -4.605 382 HB3 PHE 53 2HB PHE 53 8.088 -9.398 -3.149 383 HD1 PHE 53 1HD PHE 53 6.480 -7.245 -5.667 384 HD2 PHE 53 2HD PHE 53 8.480 -7.413 -1.914 385 HE1 PHE 53 1HE PHE 53 5.829 -4.915 -5.219 386 HE2 PHE 53 2HE PHE 53 7.831 -5.084 -1.460 387 HZ PHE 53 HZ PHE 53 6.503 -3.832 -3.112 388 HA PRO 54 HA PRO 54 10.391 -12.481 -7.023 389 HB2 PRO 54 1HB PRO 54 12.788 -13.244 -6.003 390 HB3 PRO 54 2HB PRO 54 12.628 -12.028 -7.275 391 HG2 PRO 54 1HG PRO 54 13.018 -11.651 -4.331 392 HG3 PRO 54 2HG PRO 54 13.790 -10.797 -5.680 393 HD2 PRO 54 1HD PRO 54 11.725 -9.743 -4.280 394 HD3 PRO 54 2HD PRO 54 11.977 -9.412 -6.006 395 H GLY 55 H GLY 55 9.924 -14.591 -6.556 396 HA2 GLY 55 1HA GLY 55 9.676 -16.513 -5.255 397 HA3 GLY 55 2HA GLY 55 10.210 -15.601 -3.850 398 H LEU 56 H LEU 56 8.148 -13.487 -4.692 399 HA LEU 56 HA LEU 56 5.833 -14.859 -3.494 400 HB2 LEU 56 1HB LEU 56 6.338 -11.900 -3.414 401 HB3 LEU 56 2HB LEU 56 5.215 -12.843 -2.436 402 HG LEU 56 HG LEU 56 8.198 -13.163 -2.216 403 HD11 LEU 56 1HD1 LEU 56 7.523 -11.752 -0.015 404 HD12 LEU 56 2HD1 LEU 56 6.465 -11.009 -1.214 405 HD13 LEU 56 3HD1 LEU 56 8.209 -11.041 -1.476 406 HD21 LEU 56 1HD2 LEU 56 6.156 -13.642 -0.083 407 HD22 LEU 56 2HD2 LEU 56 7.763 -14.343 -0.272 408 HD23 LEU 56 3HD2 LEU 56 6.447 -14.856 -1.328 409 H ALA 57 H ALA 57 3.703 -14.018 -4.118 410 HA ALA 57 HA ALA 57 3.359 -13.979 -6.901 411 HB1 ALA 57 1HB ALA 57 1.084 -13.852 -6.497 412 HB2 ALA 57 2HB ALA 57 1.692 -14.583 -5.012 413 HB3 ALA 57 3HB ALA 57 1.291 -12.866 -5.049 414 H GLY 58 H GLY 58 2.680 -12.321 -8.314 415 HA2 GLY 58 1HA GLY 58 4.065 -9.957 -8.271 416 HA3 GLY 58 2HA GLY 58 2.565 -10.182 -9.157 417 H VAL 59 H VAL 59 4.035 -8.933 -6.261 418 HA VAL 59 HA VAL 59 1.605 -8.139 -4.988 419 HB VAL 59 HB VAL 59 4.428 -7.153 -4.554 420 HG11 VAL 59 1HG1 VAL 59 1.902 -6.740 -2.968 421 HG12 VAL 59 2HG1 VAL 59 3.518 -6.448 -2.323 422 HG13 VAL 59 3HG1 VAL 59 2.933 -5.510 -3.698 423 HG21 VAL 59 1HG2 VAL 59 2.958 -9.536 -3.692 424 HG22 VAL 59 2HG2 VAL 59 4.694 -9.238 -3.762 425 HG23 VAL 59 3HG2 VAL 59 3.757 -8.662 -2.384 426 H LYS 60 H LYS 60 0.308 -6.568 -5.643 427 HA LYS 60 HA LYS 60 1.252 -4.546 -7.494 428 HB2 LYS 60 1HB LYS 60 -1.483 -5.125 -6.347 429 HB3 LYS 60 2HB LYS 60 -1.155 -3.836 -7.498 430 HG2 LYS 60 1HG LYS 60 -0.706 -5.324 -9.228 431 HG3 LYS 60 2HG LYS 60 -0.435 -6.674 -8.123 432 HD2 LYS 60 1HD LYS 60 -3.118 -5.355 -8.248 433 HD3 LYS 60 2HD LYS 60 -2.655 -6.535 -9.477 434 HE2 LYS 60 1HE LYS 60 -2.242 -7.244 -6.620 435 HE3 LYS 60 2HE LYS 60 -3.891 -7.243 -7.242 436 HZ1 LYS 60 1HZ LYS 60 -2.092 -8.570 -9.012 437 HZ2 LYS 60 2HZ LYS 60 -3.527 -9.135 -8.318 438 HZ3 LYS 60 3HZ LYS 60 -2.069 -9.271 -7.473 439 H ILE 61 H ILE 61 0.886 -2.265 -7.155 440 HA ILE 61 HA ILE 61 0.835 -1.490 -4.313 441 HB ILE 61 HB ILE 61 2.541 -0.153 -6.410 442 HG12 ILE 61 1HG1 ILE 61 3.355 -2.431 -6.011 443 HG13 ILE 61 2HG1 ILE 61 4.462 -1.243 -5.331 444 HG21 ILE 61 1HG2 ILE 61 1.767 1.191 -4.446 445 HG22 ILE 61 2HG2 ILE 61 2.653 0.072 -3.411 446 HG23 ILE 61 3HG2 ILE 61 3.518 1.049 -4.598 447 HD11 ILE 61 1HD1 ILE 61 2.522 -2.033 -3.370 448 HD12 ILE 61 2HD1 ILE 61 3.332 -3.444 -4.050 449 HD13 ILE 61 3HD1 ILE 61 4.281 -2.148 -3.323 450 H ALA 62 H ALA 62 -0.987 -0.399 -3.995 451 HA ALA 62 HA ALA 62 -1.841 1.532 -6.053 452 HB1 ALA 62 1HB ALA 62 -3.629 0.131 -6.063 453 HB2 ALA 62 2HB ALA 62 -3.374 -0.388 -4.396 454 HB3 ALA 62 3HB ALA 62 -4.117 1.177 -4.728 455 H GLU 63 H GLU 63 -3.513 3.138 -4.873 456 HA GLU 63 HA GLU 63 -2.529 3.971 -2.268 457 HB2 GLU 63 1HB GLU 63 -1.608 5.981 -2.872 458 HB3 GLU 63 2HB GLU 63 -1.187 5.027 -4.287 459 HG2 GLU 63 1HG GLU 63 -3.120 5.924 -5.474 460 HG3 GLU 63 2HG GLU 63 -3.547 6.880 -4.056 461 H VAL 64 H VAL 64 -3.914 5.425 -1.187 462 HA VAL 64 HA VAL 64 -6.452 6.059 -2.509 463 HB VAL 64 HB VAL 64 -6.206 4.617 0.132 464 HG11 VAL 64 1HG1 VAL 64 -8.561 4.859 0.418 465 HG12 VAL 64 2HG1 VAL 64 -7.895 6.468 0.134 466 HG13 VAL 64 3HG1 VAL 64 -8.733 5.617 -1.165 467 HG21 VAL 64 1HG2 VAL 64 -6.956 3.837 -2.609 468 HG22 VAL 64 2HG2 VAL 64 -6.263 2.875 -1.304 469 HG23 VAL 64 3HG2 VAL 64 -7.992 3.219 -1.322 470 H ASP 65 H ASP 65 -7.140 8.059 -2.079 471 HA ASP 65 HA ASP 65 -5.630 9.675 -0.196 472 HB2 ASP 65 1HB ASP 65 -7.744 10.349 -2.246 473 HB3 ASP 65 2HB ASP 65 -7.042 11.543 -1.159 474 H CYS 66 H CYS 66 -6.372 10.496 1.685 475 HA CYS 66 HA CYS 66 -8.870 9.420 2.705 476 HB2 CYS 66 1HB CYS 66 -6.571 10.898 3.978 477 HB3 CYS 66 2HB CYS 66 -8.060 10.555 4.852 478 H THR 67 H THR 67 -8.770 11.597 0.663 479 HA THR 67 HA THR 67 -10.265 13.644 2.168 480 HB THR 67 HB THR 67 -9.686 15.191 0.255 481 HG1 THR 67 1HG THR 67 -8.679 14.303 -1.371 482 HG21 THR 67 1HG2 THR 67 -7.177 15.302 1.028 483 HG22 THR 67 2HG2 THR 67 -7.708 14.106 2.210 484 HG23 THR 67 3HG2 THR 67 -8.478 15.692 2.151 485 H ALA 68 H ALA 68 -10.115 11.676 -0.739 486 HA ALA 68 HA ALA 68 -12.793 12.587 -1.519 487 HB1 ALA 68 1HB ALA 68 -10.545 11.282 -2.980 488 HB2 ALA 68 2HB ALA 68 -12.193 11.082 -3.574 489 HB3 ALA 68 3HB ALA 68 -11.503 12.697 -3.417 490 H GLU 69 H GLU 69 -10.964 9.692 -0.663 491 HA GLU 69 HA GLU 69 -13.479 8.166 -0.609 492 HB2 GLU 69 1HB GLU 69 -10.607 7.282 -0.860 493 HB3 GLU 69 2HB GLU 69 -11.917 6.162 -0.514 494 HG2 GLU 69 1HG GLU 69 -11.495 7.808 -2.988 495 HG3 GLU 69 2HG GLU 69 -11.519 6.052 -2.835 496 H ARG 70 H ARG 70 -12.821 9.994 1.467 497 HA ARG 70 HA ARG 70 -11.531 9.135 3.688 498 HB2 ARG 70 1HB ARG 70 -14.235 10.469 3.518 499 HB3 ARG 70 2HB ARG 70 -13.346 10.269 5.022 500 HG2 ARG 70 1HG ARG 70 -11.683 11.761 4.388 501 HG3 ARG 70 2HG ARG 70 -12.091 11.633 2.675 502 HD2 ARG 70 1HD ARG 70 -13.966 12.802 4.717 503 HD3 ARG 70 2HD ARG 70 -12.781 13.773 3.843 504 HE ARG 70 HE ARG 70 -14.160 12.429 1.899 505 HH11 ARG 70 2HH1 ARG 70 -14.998 14.589 4.498 506 HH12 ARG 70 1HH1 ARG 70 -16.375 15.248 3.680 507 HH21 ARG 70 2HH2 ARG 70 -15.971 13.289 0.812 508 HH22 ARG 70 1HH2 ARG 70 -16.929 14.507 1.584 509 H ASN 71 H ASN 71 -14.320 7.693 2.260 510 HA ASN 71 HA ASN 71 -15.418 6.331 4.433 511 HB2 ASN 71 1HB ASN 71 -16.089 6.513 1.847 512 HB3 ASN 71 2HB ASN 71 -15.322 4.927 1.813 513 HD21 ASN 71 1HD2 ASN 71 -17.878 4.975 1.175 514 HD22 ASN 71 2HD2 ASN 71 -18.869 4.357 2.449 515 H ILE 72 H ILE 72 -13.236 4.939 1.974 516 HA ILE 72 HA ILE 72 -12.700 2.560 3.296 517 HB ILE 72 HB ILE 72 -10.789 4.068 1.508 518 HG12 ILE 72 1HG1 ILE 72 -12.617 1.875 0.590 519 HG13 ILE 72 2HG1 ILE 72 -13.222 3.524 0.706 520 HG21 ILE 72 1HG2 ILE 72 -9.551 2.159 1.298 521 HG22 ILE 72 2HG2 ILE 72 -10.112 1.973 2.960 522 HG23 ILE 72 3HG2 ILE 72 -10.917 1.102 1.654 523 HD11 ILE 72 1HD1 ILE 72 -10.674 3.196 -0.725 524 HD12 ILE 72 2HD1 ILE 72 -12.095 2.495 -1.497 525 HD13 ILE 72 3HD1 ILE 72 -12.068 4.211 -1.094 526 H CYS 73 H CYS 73 -10.923 5.633 3.428 527 HA CYS 73 HA CYS 73 -8.812 4.854 5.046 528 HB2 CYS 73 1HB CYS 73 -10.223 7.448 4.576 529 HB3 CYS 73 2HB CYS 73 -9.045 7.350 5.881 530 H SER 74 H SER 74 -11.877 6.351 6.095 531 HA SER 74 HA SER 74 -11.464 6.223 8.828 532 HB2 SER 74 1HB SER 74 -13.911 6.246 7.106 533 HB3 SER 74 2HB SER 74 -14.090 5.956 8.836 534 HG SER 74 HG SER 74 -14.021 8.254 7.817 535 H LYS 75 H LYS 75 -12.660 3.745 6.628 536 HA LYS 75 HA LYS 75 -13.504 1.866 8.523 537 HB2 LYS 75 1HB LYS 75 -13.982 1.740 6.090 538 HB3 LYS 75 2HB LYS 75 -12.296 1.326 5.803 539 HG2 LYS 75 1HG LYS 75 -12.628 -0.681 7.257 540 HG3 LYS 75 2HG LYS 75 -14.350 -0.296 7.288 541 HD2 LYS 75 1HD LYS 75 -14.511 -0.563 4.907 542 HD3 LYS 75 2HD LYS 75 -12.762 -0.743 4.763 543 HE2 LYS 75 1HE LYS 75 -12.890 -2.801 6.110 544 HE3 LYS 75 2HE LYS 75 -14.642 -2.628 6.182 545 HZ1 LYS 75 1HZ LYS 75 -14.878 -3.422 4.123 546 HZ2 LYS 75 2HZ LYS 75 -13.307 -4.022 4.305 547 HZ3 LYS 75 3HZ LYS 75 -13.563 -2.551 3.511 548 H TYR 76 H TYR 76 -10.326 2.707 7.366 549 HA TYR 76 HA TYR 76 -9.145 0.455 8.830 550 HB2 TYR 76 1HB TYR 76 -7.998 2.361 6.787 551 HB3 TYR 76 2HB TYR 76 -7.019 1.203 7.682 552 HD1 TYR 76 1HD TYR 76 -7.900 -1.293 7.563 553 HD2 TYR 76 2HD TYR 76 -8.817 1.737 4.720 554 HE1 TYR 76 1HE TYR 76 -8.416 -3.024 5.893 555 HE2 TYR 76 2HE TYR 76 -9.336 0.015 3.043 556 HH TYR 76 HH TYR 76 -9.032 -2.225 2.550 557 H SER 77 H SER 77 -10.313 2.927 10.037 558 HA SER 77 HA SER 77 -9.798 4.579 11.544 559 HB2 SER 77 1HB SER 77 -8.003 2.301 12.396 560 HB3 SER 77 2HB SER 77 -8.276 3.740 13.377 561 HG SER 77 HG SER 77 -10.522 2.403 12.417 562 H VAL 78 H VAL 78 -8.224 4.615 9.045 563 HA VAL 78 HA VAL 78 -5.533 5.285 9.594 564 HB VAL 78 HB VAL 78 -7.164 6.295 7.266 565 HG11 VAL 78 1HG1 VAL 78 -5.184 6.741 6.203 566 HG12 VAL 78 2HG1 VAL 78 -4.721 7.065 7.875 567 HG13 VAL 78 3HG1 VAL 78 -4.291 5.529 7.121 568 HG21 VAL 78 1HG2 VAL 78 -5.573 3.930 6.750 569 HG22 VAL 78 2HG2 VAL 78 -6.820 3.633 7.961 570 HG23 VAL 78 3HG2 VAL 78 -7.265 4.254 6.372 571 H ARG 79 H ARG 79 -5.042 6.870 10.983 572 HA ARG 79 HA ARG 79 -6.357 9.480 10.605 573 HB2 ARG 79 1HB ARG 79 -5.337 8.252 13.173 574 HB3 ARG 79 2HB ARG 79 -5.938 9.897 13.019 575 HG2 ARG 79 1HG ARG 79 -7.654 7.584 12.221 576 HG3 ARG 79 2HG ARG 79 -7.505 8.053 13.916 577 HD2 ARG 79 1HD ARG 79 -8.365 9.869 11.666 578 HD3 ARG 79 2HD ARG 79 -9.448 9.092 12.820 579 HE ARG 79 HE ARG 79 -7.459 10.615 14.154 580 HH11 ARG 79 2HH1 ARG 79 -10.421 10.913 12.350 581 HH12 ARG 79 1HH1 ARG 79 -10.882 12.404 13.102 582 HH21 ARG 79 2HH2 ARG 79 -8.055 12.578 15.153 583 HH22 ARG 79 1HH2 ARG 79 -9.535 13.351 14.695 584 H GLY 80 H GLY 80 -3.384 7.726 11.159 585 HA2 GLY 80 1HA GLY 80 -1.862 10.244 11.007 586 HA3 GLY 80 2HA GLY 80 -1.243 8.718 11.622 587 H TYR 81 H TYR 81 -1.148 10.803 9.069 588 HA TYR 81 HA TYR 81 -0.463 8.671 7.156 589 HB2 TYR 81 1HB TYR 81 -0.852 11.482 6.249 590 HB3 TYR 81 2HB TYR 81 -1.224 9.974 5.421 591 HD1 TYR 81 1HD TYR 81 -3.182 8.573 6.476 592 HD2 TYR 81 2HD TYR 81 -2.590 12.736 7.124 593 HE1 TYR 81 1HE TYR 81 -5.549 8.805 7.106 594 HE2 TYR 81 2HE TYR 81 -4.955 12.979 7.757 595 HH TYR 81 HH TYR 81 -7.155 11.632 7.206 596 HA PRO 82 HA PRO 82 0.408 8.950 4.956 597 HB2 PRO 82 1HB PRO 82 2.501 7.412 4.166 598 HB3 PRO 82 2HB PRO 82 2.277 9.080 3.625 599 HG2 PRO 82 1HG PRO 82 4.052 8.012 5.786 600 HG3 PRO 82 2HG PRO 82 4.403 9.237 4.554 601 HD2 PRO 82 1HD PRO 82 3.772 9.879 7.107 602 HD3 PRO 82 2HD PRO 82 3.332 10.906 5.729 603 H THR 83 H THR 83 -0.410 6.857 4.815 604 HA THR 83 HA THR 83 0.288 5.066 7.052 605 HB THR 83 HB THR 83 -2.439 5.105 5.784 606 HG1 THR 83 1HG THR 83 -2.056 6.427 8.211 607 HG21 THR 83 1HG2 THR 83 -2.918 4.370 8.251 608 HG22 THR 83 2HG2 THR 83 -1.197 3.982 8.259 609 HG23 THR 83 3HG2 THR 83 -2.271 3.210 7.092 610 H LEU 84 H LEU 84 0.468 2.889 6.638 611 HA LEU 84 HA LEU 84 0.075 2.006 3.863 612 HB2 LEU 84 1HB LEU 84 2.405 0.996 5.427 613 HB3 LEU 84 2HB LEU 84 2.173 1.067 3.681 614 HG LEU 84 HG LEU 84 2.604 3.528 5.360 615 HD11 LEU 84 1HD1 LEU 84 4.552 1.540 4.339 616 HD12 LEU 84 2HD1 LEU 84 4.624 2.571 5.768 617 HD13 LEU 84 3HD1 LEU 84 4.962 3.248 4.174 618 HD21 LEU 84 1HD2 LEU 84 1.815 3.168 2.726 619 HD22 LEU 84 2HD2 LEU 84 3.539 3.525 2.619 620 HD23 LEU 84 3HD2 LEU 84 2.455 4.647 3.442 621 H LEU 85 H LEU 85 -0.635 -0.078 3.604 622 HA LEU 85 HA LEU 85 -0.758 -1.861 5.896 623 HB2 LEU 85 1HB LEU 85 -3.192 -0.784 4.495 624 HB3 LEU 85 2HB LEU 85 -3.215 -2.256 5.464 625 HG LEU 85 HG LEU 85 -2.288 0.330 6.660 626 HD11 LEU 85 1HD1 LEU 85 -4.288 1.244 6.327 627 HD12 LEU 85 2HD1 LEU 85 -4.925 0.029 7.435 628 HD13 LEU 85 3HD1 LEU 85 -4.956 -0.262 5.696 629 HD21 LEU 85 1HD2 LEU 85 -2.785 -0.690 8.701 630 HD22 LEU 85 2HD2 LEU 85 -2.058 -1.981 7.744 631 HD23 LEU 85 3HD2 LEU 85 -3.810 -1.912 7.948 632 H LEU 86 H LEU 86 -1.130 -4.039 5.343 633 HA LEU 86 HA LEU 86 -0.784 -4.605 2.475 634 HB2 LEU 86 1HB LEU 86 1.079 -5.292 3.911 635 HB3 LEU 86 2HB LEU 86 -0.024 -6.278 4.866 636 HG LEU 86 HG LEU 86 -0.460 -7.605 2.756 637 HD11 LEU 86 1HD1 LEU 86 1.172 -7.474 0.981 638 HD12 LEU 86 2HD1 LEU 86 2.020 -6.173 1.815 639 HD13 LEU 86 3HD1 LEU 86 0.393 -5.904 1.188 640 HD21 LEU 86 1HD2 LEU 86 0.849 -8.948 3.962 641 HD22 LEU 86 2HD2 LEU 86 1.855 -7.606 4.513 642 HD23 LEU 86 3HD2 LEU 86 2.183 -8.375 2.959 643 H PHE 87 H PHE 87 -1.961 -6.272 1.508 644 HA PHE 87 HA PHE 87 -4.124 -7.468 3.086 645 HB2 PHE 87 1HB PHE 87 -4.521 -6.087 0.423 646 HB3 PHE 87 2HB PHE 87 -5.755 -6.969 1.316 647 HD1 PHE 87 1HD PHE 87 -3.659 -3.950 1.279 648 HD2 PHE 87 2HD PHE 87 -6.882 -5.989 3.167 649 HE1 PHE 87 1HE PHE 87 -4.255 -1.887 2.482 650 HE2 PHE 87 2HE PHE 87 -7.484 -3.930 4.373 651 HZ PHE 87 HZ PHE 87 -6.170 -1.875 4.029 652 H ARG 88 H ARG 88 -4.165 -9.590 2.798 653 HA ARG 88 HA ARG 88 -3.285 -10.685 0.211 654 HB2 ARG 88 1HB ARG 88 -1.507 -11.020 1.854 655 HB3 ARG 88 2HB ARG 88 -2.648 -11.781 2.955 656 HG2 ARG 88 1HG ARG 88 -2.854 -13.684 1.599 657 HG3 ARG 88 2HG ARG 88 -2.108 -12.880 0.216 658 HD2 ARG 88 1HD ARG 88 0.010 -13.146 1.029 659 HD3 ARG 88 2HD ARG 88 -0.517 -13.121 2.712 660 HE ARG 88 HE ARG 88 -0.686 -15.395 2.636 661 HH11 ARG 88 2HH1 ARG 88 -0.703 -14.165 -0.621 662 HH12 ARG 88 1HH1 ARG 88 -0.654 -15.734 -1.353 663 HH21 ARG 88 2HH2 ARG 88 -0.622 -17.467 1.685 664 HH22 ARG 88 1HH2 ARG 88 -0.609 -17.612 -0.041 665 H GLY 89 H GLY 89 -4.884 -11.753 -0.736 666 HA2 GLY 89 1HA GLY 89 -6.483 -13.458 -0.922 667 HA3 GLY 89 2HA GLY 89 -6.546 -13.561 0.831 668 H GLY 90 H GLY 90 -6.759 -10.412 0.507 669 HA2 GLY 90 1HA GLY 90 -8.633 -9.062 -0.344 670 HA3 GLY 90 2HA GLY 90 -9.672 -10.433 0.013 671 H LYS 91 H LYS 91 -7.297 -10.004 2.367 672 HA LYS 91 HA LYS 91 -8.965 -8.234 3.995 673 HB2 LYS 91 1HB LYS 91 -8.034 -10.973 4.875 674 HB3 LYS 91 2HB LYS 91 -8.790 -9.781 5.923 675 HG2 LYS 91 1HG LYS 91 -10.191 -10.708 3.454 676 HG3 LYS 91 2HG LYS 91 -10.214 -11.693 4.918 677 HD2 LYS 91 1HD LYS 91 -10.923 -8.787 5.038 678 HD3 LYS 91 2HD LYS 91 -12.116 -9.974 4.506 679 HE2 LYS 91 1HE LYS 91 -11.800 -11.211 6.602 680 HE3 LYS 91 2HE LYS 91 -10.626 -10.008 7.130 681 HZ1 LYS 91 1HZ LYS 91 -12.274 -8.776 7.904 682 HZ2 LYS 91 2HZ LYS 91 -13.398 -9.947 7.428 683 HZ3 LYS 91 3HZ LYS 91 -12.984 -8.693 6.371 684 H LYS 92 H LYS 92 -7.819 -6.872 5.243 685 HA LYS 92 HA LYS 92 -5.236 -6.219 4.870 686 HB2 LYS 92 1HB LYS 92 -5.271 -5.026 6.921 687 HB3 LYS 92 2HB LYS 92 -6.930 -5.038 6.336 688 HG2 LYS 92 1HG LYS 92 -7.245 -7.081 7.850 689 HG3 LYS 92 2HG LYS 92 -5.729 -6.582 8.603 690 HD2 LYS 92 1HD LYS 92 -6.940 -4.241 8.692 691 HD3 LYS 92 2HD LYS 92 -8.390 -5.245 8.611 692 HE2 LYS 92 1HE LYS 92 -6.224 -5.883 10.571 693 HE3 LYS 92 2HE LYS 92 -7.386 -4.605 10.925 694 HZ1 LYS 92 1HZ LYS 92 -7.834 -7.064 11.639 695 HZ2 LYS 92 2HZ LYS 92 -8.398 -7.214 10.051 696 HZ3 LYS 92 3HZ LYS 92 -9.099 -6.081 11.093 697 H VAL 93 H VAL 93 -3.268 -6.516 6.126 698 HA VAL 93 HA VAL 93 -3.092 -9.195 7.344 699 HB VAL 93 HB VAL 93 -0.957 -7.848 5.683 700 HG11 VAL 93 1HG1 VAL 93 0.463 -9.332 6.521 701 HG12 VAL 93 2HG1 VAL 93 -0.801 -9.903 7.613 702 HG13 VAL 93 3HG1 VAL 93 -0.593 -10.656 6.031 703 HG21 VAL 93 1HG2 VAL 93 -1.432 -9.504 3.984 704 HG22 VAL 93 2HG2 VAL 93 -2.688 -10.221 4.992 705 HG23 VAL 93 3HG2 VAL 93 -2.898 -8.593 4.348 706 H SER 94 H SER 94 -1.210 -6.175 7.054 707 HA SER 94 HA SER 94 -1.064 -5.943 9.935 708 HB2 SER 94 1HB SER 94 0.836 -7.500 9.118 709 HB3 SER 94 2HB SER 94 1.557 -6.032 8.459 710 HG SER 94 HG SER 94 0.696 -6.098 11.134 711 H GLU 95 H GLU 95 0.100 -3.935 10.590 712 HA GLU 95 HA GLU 95 -0.185 -1.869 8.508 713 HB2 GLU 95 1HB GLU 95 -1.876 -1.618 10.229 714 HB3 GLU 95 2HB GLU 95 -0.649 -1.670 11.487 715 HG2 GLU 95 1HG GLU 95 0.329 0.403 10.323 716 HG3 GLU 95 2HG GLU 95 -1.239 0.509 9.526 717 H HIS 96 H HIS 96 1.635 -0.906 7.923 718 HA HIS 96 HA HIS 96 4.074 -1.328 9.386 719 HB2 HIS 96 1HB HIS 96 3.825 -1.214 6.842 720 HB3 HIS 96 2HB HIS 96 3.712 0.533 7.040 721 HD1 HIS 96 1HD HIS 96 5.961 0.308 9.457 722 HD2 HIS 96 2HD HIS 96 6.280 -0.813 5.470 723 HE1 HIS 96 1HE HIS 96 8.424 0.320 8.950 724 HE2 HIS 96 2HE HIS 96 8.587 -0.278 6.509 725 H SER 97 H SER 97 4.933 -0.053 10.886 726 HA SER 97 HA SER 97 3.961 2.722 11.089 727 HB2 SER 97 1HB SER 97 4.083 2.568 13.506 728 HB3 SER 97 2HB SER 97 3.079 1.250 12.900 729 HG SER 97 HG SER 97 5.799 1.092 13.697 730 H GLY 98 H GLY 98 6.650 0.493 11.563 731 HA2 GLY 98 1HA GLY 98 8.521 2.519 12.334 732 HA3 GLY 98 2HA GLY 98 8.906 0.868 11.870 733 H GLY 99 H GLY 99 10.759 2.039 10.852 734 HA2 GLY 99 1HA GLY 99 10.828 3.848 8.884 735 HA3 GLY 99 2HA GLY 99 11.768 2.367 8.781 736 H ARG 100 H ARG 100 9.713 4.250 7.105 737 HA ARG 100 HA ARG 100 8.630 1.969 5.586 738 HB2 ARG 100 1HB ARG 100 6.819 3.543 4.856 739 HB3 ARG 100 2HB ARG 100 6.789 3.137 6.566 740 HG2 ARG 100 1HG ARG 100 6.464 5.378 6.707 741 HG3 ARG 100 2HG ARG 100 8.228 5.344 6.752 742 HD2 ARG 100 1HD ARG 100 8.309 5.785 4.356 743 HD3 ARG 100 2HD ARG 100 6.547 5.774 4.285 744 HE ARG 100 HE ARG 100 6.515 7.887 5.206 745 HH11 ARG 100 2HH1 ARG 100 9.732 6.566 5.356 746 HH12 ARG 100 1HH1 ARG 100 10.469 8.068 5.804 747 HH21 ARG 100 2HH2 ARG 100 7.474 9.871 5.795 748 HH22 ARG 100 1HH2 ARG 100 9.184 9.947 6.055 749 H ASP 101 H ASP 101 11.203 3.471 5.342 750 HA ASP 101 HA ASP 101 11.129 5.171 3.099 751 HB2 ASP 101 1HB ASP 101 13.476 3.426 3.829 752 HB3 ASP 101 2HB ASP 101 13.493 5.017 3.073 753 H LEU 102 H LEU 102 12.314 4.621 1.012 754 HA LEU 102 HA LEU 102 10.887 2.907 -0.541 755 HB2 LEU 102 1HB LEU 102 12.295 4.363 -1.675 756 HB3 LEU 102 2HB LEU 102 13.707 3.884 -0.736 757 HG LEU 102 HG LEU 102 13.755 1.737 -1.942 758 HD11 LEU 102 1HD1 LEU 102 12.067 1.015 -3.187 759 HD12 LEU 102 2HD1 LEU 102 12.053 2.501 -4.135 760 HD13 LEU 102 3HD1 LEU 102 11.135 2.406 -2.633 761 HD21 LEU 102 1HD2 LEU 102 13.935 4.340 -3.394 762 HD22 LEU 102 2HD2 LEU 102 14.197 2.831 -4.268 763 HD23 LEU 102 3HD2 LEU 102 15.219 3.243 -2.891 764 H ASP 103 H ASP 103 14.157 2.099 0.639 765 HA ASP 103 HA ASP 103 13.948 -0.642 -0.007 766 HB2 ASP 103 1HB ASP 103 16.044 0.853 0.511 767 HB3 ASP 103 2HB ASP 103 15.768 0.324 2.168 768 H SER 104 H SER 104 13.358 1.169 2.964 769 HA SER 104 HA SER 104 13.007 -1.027 4.682 770 HB2 SER 104 1HB SER 104 11.731 1.714 4.847 771 HB3 SER 104 2HB SER 104 11.853 0.552 6.168 772 HG SER 104 HG SER 104 14.015 0.860 6.252 773 H LEU 105 H LEU 105 11.125 0.047 2.097 774 HA LEU 105 HA LEU 105 8.636 -1.053 3.152 775 HB2 LEU 105 1HB LEU 105 9.357 0.487 0.683 776 HB3 LEU 105 2HB LEU 105 7.807 -0.338 0.824 777 HG LEU 105 HG LEU 105 8.757 1.753 2.775 778 HD11 LEU 105 1HD1 LEU 105 7.602 3.399 1.597 779 HD12 LEU 105 2HD1 LEU 105 6.755 2.222 0.595 780 HD13 LEU 105 3HD1 LEU 105 8.475 2.516 0.343 781 HD21 LEU 105 1HD2 LEU 105 5.901 1.309 2.363 782 HD22 LEU 105 2HD2 LEU 105 6.827 1.436 3.859 783 HD23 LEU 105 3HD2 LEU 105 6.752 -0.101 2.996 784 H HIS 106 H HIS 106 11.123 -1.733 0.776 785 HA HIS 106 HA HIS 106 9.783 -3.829 -0.569 786 HB2 HIS 106 1HB HIS 106 11.790 -2.623 -1.440 787 HB3 HIS 106 2HB HIS 106 12.767 -3.462 -0.240 788 HD1 HIS 106 1HD HIS 106 14.062 -5.201 -1.415 789 HD2 HIS 106 2HD HIS 106 10.174 -4.942 -2.855 790 HE1 HIS 106 1HE HIS 106 13.858 -7.026 -3.134 791 HE2 HIS 106 2HE HIS 106 11.524 -6.795 -4.051 792 H ARG 107 H ARG 107 11.966 -3.764 2.212 793 HA ARG 107 HA ARG 107 12.146 -6.583 2.500 794 HB2 ARG 107 1HB ARG 107 13.186 -6.135 4.622 795 HB3 ARG 107 2HB ARG 107 13.772 -4.956 3.458 796 HG2 ARG 107 1HG ARG 107 11.859 -3.470 4.407 797 HG3 ARG 107 2HG ARG 107 11.943 -4.576 5.781 798 HD2 ARG 107 1HD ARG 107 14.292 -3.061 4.648 799 HD3 ARG 107 2HD ARG 107 13.347 -2.544 6.045 800 HE ARG 107 HE ARG 107 15.363 -4.580 5.979 801 HH11 ARG 107 2HH1 ARG 107 12.475 -3.493 7.591 802 HH12 ARG 107 1HH1 ARG 107 12.848 -4.295 9.081 803 HH21 ARG 107 2HH2 ARG 107 15.865 -5.641 7.935 804 HH22 ARG 107 1HH2 ARG 107 14.777 -5.515 9.276 805 H PHE 108 H PHE 108 10.070 -4.111 3.946 806 HA PHE 108 HA PHE 108 8.787 -5.611 5.879 807 HB2 PHE 108 1HB PHE 108 8.383 -3.257 5.764 808 HB3 PHE 108 2HB PHE 108 7.744 -3.383 4.129 809 HD1 PHE 108 2HD PHE 108 5.578 -4.683 3.802 810 HD2 PHE 108 1HD PHE 108 6.972 -3.379 7.606 811 HE1 PHE 108 2HE PHE 108 3.303 -4.912 4.711 812 HE2 PHE 108 1HE PHE 108 4.699 -3.606 8.521 813 HZ PHE 108 HZ PHE 108 2.860 -4.372 7.072 814 H VAL 109 H VAL 109 7.988 -5.306 2.438 815 HA VAL 109 HA VAL 109 5.699 -6.989 2.548 816 HB VAL 109 HB VAL 109 7.426 -6.256 0.179 817 HG11 VAL 109 1HG1 VAL 109 4.565 -7.092 -0.014 818 HG12 VAL 109 2HG1 VAL 109 5.842 -7.161 -1.230 819 HG13 VAL 109 3HG1 VAL 109 5.827 -8.319 0.100 820 HG21 VAL 109 1HG2 VAL 109 5.801 -4.633 1.741 821 HG22 VAL 109 2HG2 VAL 109 6.400 -4.279 0.121 822 HG23 VAL 109 3HG2 VAL 109 4.814 -5.020 0.331 823 H LEU 110 H LEU 110 9.041 -7.537 1.454 824 HA LEU 110 HA LEU 110 8.782 -10.196 0.689 825 HB2 LEU 110 1HB LEU 110 11.125 -8.705 1.847 826 HB3 LEU 110 2HB LEU 110 11.239 -10.348 1.222 827 HG LEU 110 HG LEU 110 10.232 -8.122 -0.513 828 HD11 LEU 110 1HD1 LEU 110 12.947 -8.489 0.514 829 HD12 LEU 110 2HD1 LEU 110 12.200 -7.089 -0.253 830 HD13 LEU 110 3HD1 LEU 110 12.839 -8.399 -1.244 831 HD21 LEU 110 1HD2 LEU 110 10.458 -10.836 -0.865 832 HD22 LEU 110 2HD2 LEU 110 11.927 -10.220 -1.623 833 HD23 LEU 110 3HD2 LEU 110 10.348 -9.635 -2.153 834 H SER 111 H SER 111 9.114 -8.780 3.865 835 HA SER 111 HA SER 111 9.580 -11.325 5.158 836 HB2 SER 111 1HB SER 111 10.460 -9.027 5.932 837 HB3 SER 111 2HB SER 111 8.835 -8.767 6.565 838 HG SER 111 HG SER 111 9.251 -10.096 8.142 839 H GLN 112 H GLN 112 6.950 -8.940 5.006 840 HA GLN 112 HA GLN 112 5.126 -10.204 6.667 841 HB2 GLN 112 1HB GLN 112 4.864 -8.346 4.340 842 HB3 GLN 112 2HB GLN 112 3.414 -9.082 5.010 843 HG2 GLN 112 1HG GLN 112 5.367 -7.261 6.382 844 HG3 GLN 112 2HG GLN 112 3.660 -6.976 6.046 845 HE21 GLN 112 1HE2 GLN 112 5.619 -7.413 8.488 846 HE22 GLN 112 2HE2 GLN 112 4.634 -8.338 9.567 847 H ALA 113 H ALA 113 5.689 -10.669 3.201 848 HA ALA 113 HA ALA 113 3.686 -12.769 3.074 849 HB1 ALA 113 1HB ALA 113 5.568 -11.983 0.868 850 HB2 ALA 113 2HB ALA 113 3.985 -12.748 0.742 851 HB3 ALA 113 3HB ALA 113 4.111 -11.061 1.239 852 H LYS 114 H LYS 114 6.017 -13.153 4.782 853 HA LYS 114 HA LYS 114 6.828 -15.739 3.744 854 HB2 LYS 114 1HB LYS 114 8.673 -13.426 4.055 855 HB3 LYS 114 2HB LYS 114 9.263 -15.004 4.561 856 HG2 LYS 114 1HG LYS 114 8.639 -15.863 2.293 857 HG3 LYS 114 2HG LYS 114 8.311 -14.193 1.826 858 HD2 LYS 114 1HD LYS 114 10.485 -14.356 1.145 859 HD3 LYS 114 2HD LYS 114 10.743 -13.825 2.808 860 HE2 LYS 114 1HE LYS 114 11.341 -15.964 3.521 861 HE3 LYS 114 2HE LYS 114 10.603 -16.739 2.120 862 HZ1 LYS 114 1HZ LYS 114 13.261 -15.886 2.451 863 HZ2 LYS 114 2HZ LYS 114 12.572 -15.010 1.180 864 HZ3 LYS 114 3HZ LYS 114 12.571 -16.701 1.138 865 H ASP 115 H ASP 115 7.141 -17.220 5.327 866 HA ASP 115 HA ASP 115 6.560 -16.378 8.046 867 HB2 ASP 115 1HB ASP 115 6.947 -19.151 6.895 868 HB3 ASP 115 2HB ASP 115 6.379 -18.784 8.522 869 H GLU 116 H GLU 116 9.059 -15.509 7.089 870 HA GLU 116 HA GLU 116 11.161 -17.231 7.932 871 HB2 GLU 116 1HB GLU 116 11.203 -15.164 6.329 872 HB3 GLU 116 2HB GLU 116 11.457 -14.253 7.811 873 HG2 GLU 116 1HG GLU 116 13.357 -15.974 8.229 874 HG3 GLU 116 2HG GLU 116 13.234 -16.251 6.493 875 H LEU 117 H LEU 117 10.943 -17.911 10.018 876 HA LEU 117 HA LEU 117 10.232 -16.189 12.170 877 HB2 LEU 117 1HB LEU 117 10.529 -18.039 13.571 878 HB3 LEU 117 2HB LEU 117 9.943 -18.703 12.048 879 HG LEU 117 HG LEU 117 11.602 -20.193 12.741 880 HD11 LEU 117 1HD1 LEU 117 12.851 -18.235 10.822 881 HD12 LEU 117 2HD1 LEU 117 11.879 -19.650 10.420 882 HD13 LEU 117 3HD1 LEU 117 13.472 -19.853 11.147 883 HD21 LEU 117 1HD2 LEU 117 12.535 -18.176 14.298 884 HD22 LEU 117 2HD2 LEU 117 13.807 -18.281 13.079 885 HD23 LEU 117 3HD2 LEU 117 13.375 -19.704 14.031 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -6.791 -8.348 -22.026 2 HA2 GLY 1 1HA GLY 1 -9.394 -9.238 -21.925 3 HA3 GLY 1 2HA GLY 1 -8.604 -9.988 -20.546 4 H SER 2 H SER 2 -8.122 -8.781 -18.760 5 HA SER 2 HA SER 2 -8.800 -5.918 -18.869 6 HB2 SER 2 1HB SER 2 -9.907 -6.085 -16.709 7 HB3 SER 2 2HB SER 2 -10.646 -7.224 -17.835 8 HG SER 2 HG SER 2 -8.803 -7.778 -15.756 9 H SER 3 H SER 3 -6.214 -6.865 -19.123 10 HA SER 3 HA SER 3 -4.760 -7.146 -16.754 11 HB2 SER 3 1HB SER 3 -4.047 -6.211 -19.518 12 HB3 SER 3 2HB SER 3 -2.852 -6.146 -18.223 13 HG SER 3 HG SER 3 -3.560 -8.470 -17.912 14 H GLY 4 H GLY 4 -4.862 -5.768 -15.098 15 HA2 GLY 4 1HA GLY 4 -4.987 -2.885 -15.652 16 HA3 GLY 4 2HA GLY 4 -5.394 -3.655 -14.125 17 H SER 5 H SER 5 -2.977 -2.095 -15.940 18 HA SER 5 HA SER 5 -1.118 -2.373 -13.695 19 HB2 SER 5 1HB SER 5 -0.632 -3.925 -15.776 20 HB3 SER 5 2HB SER 5 0.019 -2.437 -16.462 21 HG SER 5 HG SER 5 1.185 -2.344 -14.316 22 H SER 6 H SER 6 0.189 -0.595 -13.330 23 HA SER 6 HA SER 6 -0.390 1.764 -15.000 24 HB2 SER 6 1HB SER 6 -0.296 1.413 -12.040 25 HB3 SER 6 2HB SER 6 0.270 2.945 -12.704 26 HG SER 6 HG SER 6 -1.996 2.915 -12.205 27 H GLY 7 H GLY 7 2.015 0.398 -12.749 28 HA2 GLY 7 1HA GLY 7 4.303 0.105 -13.480 29 HA3 GLY 7 2HA GLY 7 4.113 1.540 -14.477 30 H THR 8 H THR 8 2.860 3.183 -12.523 31 HA THR 8 HA THR 8 5.167 3.661 -10.759 32 HB THR 8 HB THR 8 4.303 6.003 -10.601 33 HG1 THR 8 1HG THR 8 2.619 6.629 -11.867 34 HG21 THR 8 1HG2 THR 8 5.685 6.517 -12.278 35 HG22 THR 8 2HG2 THR 8 4.594 5.823 -13.477 36 HG23 THR 8 3HG2 THR 8 5.757 4.794 -12.643 37 H VAL 9 H VAL 9 1.616 3.976 -10.812 38 HA VAL 9 HA VAL 9 1.433 2.895 -8.144 39 HB VAL 9 HB VAL 9 0.689 5.772 -8.670 40 HG11 VAL 9 1HG1 VAL 9 -1.138 4.839 -7.468 41 HG12 VAL 9 2HG1 VAL 9 -0.058 3.962 -6.382 42 HG13 VAL 9 3HG1 VAL 9 -0.151 5.722 -6.304 43 HG21 VAL 9 1HG2 VAL 9 2.082 5.971 -6.489 44 HG22 VAL 9 2HG2 VAL 9 2.712 4.390 -6.952 45 HG23 VAL 9 3HG2 VAL 9 2.915 5.771 -8.031 46 H LEU 10 H LEU 10 -0.564 2.045 -7.707 47 HA LEU 10 HA LEU 10 -2.470 2.082 -9.929 48 HB2 LEU 10 1HB LEU 10 -1.869 0.190 -7.708 49 HB3 LEU 10 2HB LEU 10 -3.487 0.191 -8.409 50 HG LEU 10 HG LEU 10 -2.066 -0.020 -10.660 51 HD11 LEU 10 1HD1 LEU 10 -0.102 -1.296 -10.427 52 HD12 LEU 10 2HD1 LEU 10 -0.390 -1.574 -8.709 53 HD13 LEU 10 3HD1 LEU 10 0.059 0.033 -9.280 54 HD21 LEU 10 1HD2 LEU 10 -2.553 -2.361 -10.629 55 HD22 LEU 10 2HD2 LEU 10 -3.852 -1.522 -9.780 56 HD23 LEU 10 3HD2 LEU 10 -2.610 -2.379 -8.866 57 H ALA 11 H ALA 11 -3.751 3.839 -9.678 58 HA ALA 11 HA ALA 11 -4.701 4.744 -7.144 59 HB1 ALA 11 1HB ALA 11 -5.371 5.461 -9.982 60 HB2 ALA 11 2HB ALA 11 -6.232 6.165 -8.613 61 HB3 ALA 11 3HB ALA 11 -4.493 6.409 -8.780 62 H LEU 12 H LEU 12 -5.978 3.384 -6.021 63 HA LEU 12 HA LEU 12 -8.132 1.964 -7.396 64 HB2 LEU 12 1HB LEU 12 -7.112 1.767 -4.566 65 HB3 LEU 12 2HB LEU 12 -8.415 0.790 -5.240 66 HG LEU 12 HG LEU 12 -5.507 0.732 -6.038 67 HD11 LEU 12 1HD1 LEU 12 -5.338 -1.268 -4.932 68 HD12 LEU 12 2HD1 LEU 12 -7.067 -1.599 -5.033 69 HD13 LEU 12 3HD1 LEU 12 -6.463 -0.407 -3.881 70 HD21 LEU 12 1HD2 LEU 12 -6.126 -1.050 -7.574 71 HD22 LEU 12 2HD2 LEU 12 -6.964 0.445 -7.988 72 HD23 LEU 12 3HD2 LEU 12 -7.826 -0.847 -7.149 73 H THR 13 H THR 13 -10.303 2.049 -6.644 74 HA THR 13 HA THR 13 -10.963 4.415 -5.021 75 HB THR 13 HB THR 13 -12.745 5.046 -6.463 76 HG1 THR 13 1HG THR 13 -12.244 2.551 -7.706 77 HG21 THR 13 1HG2 THR 13 -10.742 4.380 -8.557 78 HG22 THR 13 2HG2 THR 13 -10.210 5.365 -7.194 79 HG23 THR 13 3HG2 THR 13 -11.546 5.910 -8.207 80 H GLU 14 H GLU 14 -13.369 4.342 -4.380 81 HA GLU 14 HA GLU 14 -13.803 2.071 -2.802 82 HB2 GLU 14 1HB GLU 14 -14.773 4.437 -2.547 83 HB3 GLU 14 2HB GLU 14 -16.004 3.920 -3.691 84 HG2 GLU 14 1HG GLU 14 -16.813 3.692 -1.432 85 HG3 GLU 14 2HG GLU 14 -16.642 2.105 -2.180 86 H ASN 15 H ASN 15 -14.247 2.488 -6.108 87 HA ASN 15 HA ASN 15 -16.390 0.519 -6.315 88 HB2 ASN 15 1HB ASN 15 -16.593 2.425 -7.781 89 HB3 ASN 15 2HB ASN 15 -14.963 2.179 -8.401 90 HD21 ASN 15 1HD2 ASN 15 -14.749 1.053 -10.199 91 HD22 ASN 15 2HD2 ASN 15 -15.955 0.037 -10.906 92 H ASN 16 H ASN 16 -12.953 0.859 -6.845 93 HA ASN 16 HA ASN 16 -12.809 -2.024 -7.389 94 HB2 ASN 16 1HB ASN 16 -10.862 -1.485 -8.944 95 HB3 ASN 16 2HB ASN 16 -12.471 -1.096 -9.545 96 HD21 ASN 16 1HD2 ASN 16 -9.580 0.249 -8.074 97 HD22 ASN 16 2HD2 ASN 16 -9.799 1.856 -8.672 98 H PHE 17 H PHE 17 -12.478 -0.802 -4.897 99 HA PHE 17 HA PHE 17 -9.595 -0.659 -4.453 100 HB2 PHE 17 1HB PHE 17 -10.628 1.074 -3.288 101 HB3 PHE 17 2HB PHE 17 -12.006 0.078 -2.832 102 HD1 PHE 17 1HD PHE 17 -11.577 -1.820 -1.160 103 HD2 PHE 17 2HD PHE 17 -8.888 1.418 -1.797 104 HE1 PHE 17 1HE PHE 17 -10.542 -2.253 1.030 105 HE2 PHE 17 2HE PHE 17 -7.849 0.989 0.391 106 HZ PHE 17 HZ PHE 17 -8.675 -0.848 1.808 107 H ASP 18 H ASP 18 -12.415 -2.563 -3.510 108 HA ASP 18 HA ASP 18 -10.873 -4.343 -1.849 109 HB2 ASP 18 1HB ASP 18 -12.936 -5.525 -1.491 110 HB3 ASP 18 2HB ASP 18 -13.284 -3.799 -1.433 111 H ASP 19 H ASP 19 -12.504 -4.577 -4.999 112 HA ASP 19 HA ASP 19 -12.041 -7.183 -5.662 113 HB2 ASP 19 1HB ASP 19 -13.090 -5.180 -7.020 114 HB3 ASP 19 2HB ASP 19 -11.486 -5.109 -7.745 115 H THR 20 H THR 20 -9.808 -4.500 -6.404 116 HA THR 20 HA THR 20 -7.728 -5.874 -7.512 117 HB THR 20 HB THR 20 -7.556 -3.555 -5.580 118 HG1 THR 20 1HG THR 20 -8.711 -3.187 -7.558 119 HG21 THR 20 1HG2 THR 20 -5.362 -4.195 -5.563 120 HG22 THR 20 2HG2 THR 20 -5.363 -3.259 -7.057 121 HG23 THR 20 3HG2 THR 20 -5.477 -5.017 -7.119 122 H ILE 21 H ILE 21 -7.900 -5.079 -4.033 123 HA ILE 21 HA ILE 21 -5.767 -6.772 -3.300 124 HB ILE 21 HB ILE 21 -6.469 -6.441 -1.004 125 HG12 ILE 21 1HG1 ILE 21 -8.928 -5.028 -2.032 126 HG13 ILE 21 2HG1 ILE 21 -8.942 -6.725 -1.565 127 HG21 ILE 21 1HG2 ILE 21 -5.299 -4.576 -1.615 128 HG22 ILE 21 2HG2 ILE 21 -6.444 -4.137 -2.881 129 HG23 ILE 21 3HG2 ILE 21 -6.841 -3.833 -1.190 130 HD11 ILE 21 1HD1 ILE 21 -9.714 -5.035 0.158 131 HD12 ILE 21 2HD1 ILE 21 -8.515 -6.218 0.680 132 HD13 ILE 21 3HD1 ILE 21 -8.020 -4.569 0.301 133 H ALA 22 H ALA 22 -8.989 -7.454 -4.137 134 HA ALA 22 HA ALA 22 -9.602 -9.662 -2.548 135 HB1 ALA 22 1HB ALA 22 -11.311 -10.123 -4.046 136 HB2 ALA 22 2HB ALA 22 -11.042 -8.395 -4.282 137 HB3 ALA 22 3HB ALA 22 -10.384 -9.555 -5.435 138 H GLU 23 H GLU 23 -7.662 -9.420 -5.483 139 HA GLU 23 HA GLU 23 -6.873 -12.234 -5.102 140 HB2 GLU 23 1HB GLU 23 -6.426 -12.271 -7.570 141 HB3 GLU 23 2HB GLU 23 -8.122 -12.123 -7.135 142 HG2 GLU 23 1HG GLU 23 -8.021 -10.547 -8.758 143 HG3 GLU 23 2HG GLU 23 -7.593 -9.549 -7.370 144 H GLY 24 H GLY 24 -4.718 -12.720 -5.142 145 HA2 GLY 24 1HA GLY 24 -2.452 -12.375 -5.020 146 HA3 GLY 24 2HA GLY 24 -2.684 -11.079 -6.183 147 H ILE 25 H ILE 25 -0.745 -10.682 -4.421 148 HA ILE 25 HA ILE 25 -1.703 -9.323 -2.060 149 HB ILE 25 HB ILE 25 1.100 -9.336 -3.179 150 HG12 ILE 25 1HG1 ILE 25 -0.103 -11.195 -1.118 151 HG13 ILE 25 2HG1 ILE 25 0.202 -11.631 -2.795 152 HG21 ILE 25 1HG2 ILE 25 1.670 -8.112 -1.415 153 HG22 ILE 25 2HG2 ILE 25 -0.047 -7.913 -1.069 154 HG23 ILE 25 3HG2 ILE 25 0.858 -9.224 -0.314 155 HD11 ILE 25 1HD1 ILE 25 2.568 -11.357 -2.483 156 HD12 ILE 25 2HD1 ILE 25 2.316 -10.764 -0.841 157 HD13 ILE 25 3HD1 ILE 25 1.932 -12.438 -1.242 158 H THR 26 H THR 26 -2.132 -7.222 -1.854 159 HA THR 26 HA THR 26 -1.117 -5.356 -3.885 160 HB THR 26 HB THR 26 -3.964 -5.416 -2.866 161 HG1 THR 26 1HG THR 26 -3.895 -6.903 -4.452 162 HG21 THR 26 1HG2 THR 26 -4.205 -3.318 -3.586 163 HG22 THR 26 2HG2 THR 26 -3.464 -3.710 -5.138 164 HG23 THR 26 3HG2 THR 26 -2.454 -3.242 -3.771 165 H PHE 27 H PHE 27 0.065 -3.874 -2.885 166 HA PHE 27 HA PHE 27 -0.421 -3.267 -0.079 167 HB2 PHE 27 1HB PHE 27 1.894 -3.679 -1.243 168 HB3 PHE 27 2HB PHE 27 1.748 -1.985 -1.700 169 HD1 PHE 27 1HD PHE 27 0.787 -3.740 1.439 170 HD2 PHE 27 2HD PHE 27 3.272 -0.823 -0.416 171 HE1 PHE 27 1HE PHE 27 1.650 -3.076 3.646 172 HE2 PHE 27 2HE PHE 27 4.140 -0.155 1.788 173 HZ PHE 27 HZ PHE 27 3.329 -1.282 3.823 174 H ILE 28 H ILE 28 -1.882 -1.756 0.357 175 HA ILE 28 HA ILE 28 -2.223 0.492 -1.494 176 HB ILE 28 HB ILE 28 -3.972 -0.398 0.802 177 HG12 ILE 28 1HG1 ILE 28 -4.732 -0.482 -2.098 178 HG13 ILE 28 2HG1 ILE 28 -3.771 -1.786 -1.409 179 HG21 ILE 28 1HG2 ILE 28 -5.606 1.190 -0.398 180 HG22 ILE 28 2HG2 ILE 28 -4.352 1.889 0.626 181 HG23 ILE 28 3HG2 ILE 28 -4.158 1.886 -1.126 182 HD11 ILE 28 1HD1 ILE 28 -6.443 -1.788 -1.480 183 HD12 ILE 28 2HD1 ILE 28 -5.503 -2.616 -0.237 184 HD13 ILE 28 3HD1 ILE 28 -6.190 -1.025 0.089 185 H LYS 29 H LYS 29 -2.448 2.654 -0.646 186 HA LYS 29 HA LYS 29 -1.166 3.086 1.963 187 HB2 LYS 29 1HB LYS 29 0.626 3.464 0.471 188 HB3 LYS 29 2HB LYS 29 -0.403 4.304 -0.681 189 HG2 LYS 29 1HG LYS 29 -0.712 6.027 1.230 190 HG3 LYS 29 2HG LYS 29 0.749 5.289 1.892 191 HD2 LYS 29 1HD LYS 29 1.204 7.276 0.480 192 HD3 LYS 29 2HD LYS 29 1.978 5.804 -0.116 193 HE2 LYS 29 1HE LYS 29 0.502 5.604 -1.900 194 HE3 LYS 29 2HE LYS 29 -0.714 6.626 -1.136 195 HZ1 LYS 29 1HZ LYS 29 1.239 8.376 -1.370 196 HZ2 LYS 29 2HZ LYS 29 0.121 8.106 -2.609 197 HZ3 LYS 29 3HZ LYS 29 1.647 7.379 -2.674 198 H PHE 30 H PHE 30 -2.109 4.603 3.195 199 HA PHE 30 HA PHE 30 -4.224 6.234 1.950 200 HB2 PHE 30 1HB PHE 30 -4.086 5.371 4.842 201 HB3 PHE 30 2HB PHE 30 -5.435 6.156 4.028 202 HD1 PHE 30 1HD PHE 30 -3.444 3.038 4.145 203 HD2 PHE 30 2HD PHE 30 -7.072 4.899 2.921 204 HE1 PHE 30 1HE PHE 30 -4.387 0.832 3.593 205 HE2 PHE 30 2HE PHE 30 -8.020 2.698 2.370 206 HZ PHE 30 HZ PHE 30 -6.677 0.660 2.707 207 H TYR 31 H TYR 31 -3.087 8.083 1.519 208 HA TYR 31 HA TYR 31 -1.843 9.431 3.826 209 HB2 TYR 31 1HB TYR 31 -0.267 10.430 2.407 210 HB3 TYR 31 2HB TYR 31 -0.395 8.786 1.792 211 HD1 TYR 31 1HD TYR 31 -1.724 8.354 -0.284 212 HD2 TYR 31 2HD TYR 31 -0.837 12.294 1.054 213 HE1 TYR 31 1HE TYR 31 -2.254 9.226 -2.521 214 HE2 TYR 31 2HE TYR 31 -1.366 13.178 -1.179 215 HH TYR 31 HH TYR 31 -2.299 11.016 -3.837 216 H ALA 32 H ALA 32 -1.676 11.962 3.074 217 HA ALA 32 HA ALA 32 -4.359 12.796 2.212 218 HB1 ALA 32 1HB ALA 32 -3.535 14.638 4.170 219 HB2 ALA 32 2HB ALA 32 -4.876 13.494 4.252 220 HB3 ALA 32 3HB ALA 32 -3.284 13.031 4.854 221 HA PRO 33 HA PRO 33 -1.904 15.417 -0.395 222 HB2 PRO 33 1HB PRO 33 -3.970 16.821 -1.458 223 HB3 PRO 33 2HB PRO 33 -3.579 15.169 -1.947 224 HG2 PRO 33 1HG PRO 33 -5.673 16.133 -0.037 225 HG3 PRO 33 2HG PRO 33 -5.792 14.883 -1.290 226 HD2 PRO 33 1HD PRO 33 -5.446 14.290 1.330 227 HD3 PRO 33 2HD PRO 33 -4.777 13.287 0.028 228 H TRP 34 H TRP 34 -3.428 16.246 2.416 229 HA TRP 34 HA TRP 34 -2.766 19.102 2.125 230 HB2 TRP 34 1HB TRP 34 -4.240 19.296 4.239 231 HB3 TRP 34 2HB TRP 34 -5.035 19.021 2.692 232 HD1 TRP 34 HD TRP 34 -6.423 16.820 2.415 233 HE1 TRP 34 1HE TRP 34 -7.065 14.908 4.013 234 HE3 TRP 34 3HE TRP 34 -3.279 17.914 6.295 235 HZ2 TRP 34 2HZ TRP 34 -6.337 13.986 6.580 236 HZ3 TRP 34 3HZ TRP 34 -3.314 16.468 8.286 237 HH2 TRP 34 HH TRP 34 -4.813 14.545 8.424 238 H CYS 35 H CYS 35 -1.118 16.628 2.914 239 HA CYS 35 HA CYS 35 -0.104 17.700 5.464 240 HB2 CYS 35 1HB CYS 35 -1.079 15.278 5.304 241 HB3 CYS 35 2HB CYS 35 0.465 14.902 4.550 242 HG CYS 35 HG CYS 35 -0.227 15.634 7.766 243 H GLY 36 H GLY 36 2.149 17.841 5.756 244 HA2 GLY 36 1HA GLY 36 3.594 18.331 3.289 245 HA3 GLY 36 2HA GLY 36 4.151 18.688 4.918 246 H HIS 37 H HIS 37 3.928 16.194 6.105 247 HA HIS 37 HA HIS 37 6.334 14.983 5.391 248 HB2 HIS 37 1HB HIS 37 3.986 13.811 6.897 249 HB3 HIS 37 2HB HIS 37 5.596 13.099 6.834 250 HD1 HIS 37 1HD HIS 37 7.532 14.528 7.990 251 HD2 HIS 37 2HD HIS 37 3.646 15.756 8.795 252 HE1 HIS 37 1HE HIS 37 7.703 16.026 10.003 253 HE2 HIS 37 2HE HIS 37 5.329 16.687 10.524 254 H CYS 38 H CYS 38 3.072 14.408 4.274 255 HA CYS 38 HA CYS 38 3.417 11.900 3.087 256 HB2 CYS 38 1HB CYS 38 1.583 14.205 2.451 257 HB3 CYS 38 2HB CYS 38 1.527 12.694 1.551 258 HG CYS 38 HG CYS 38 -0.401 13.202 3.820 259 H LYS 39 H LYS 39 3.952 15.154 1.798 260 HA LYS 39 HA LYS 39 4.477 14.581 -0.842 261 HB2 LYS 39 1HB LYS 39 5.588 16.649 1.031 262 HB3 LYS 39 2HB LYS 39 6.161 16.551 -0.628 263 HG2 LYS 39 1HG LYS 39 4.468 18.179 -0.622 264 HG3 LYS 39 2HG LYS 39 3.745 16.738 -1.341 265 HD2 LYS 39 1HD LYS 39 2.438 16.307 0.520 266 HD3 LYS 39 2HD LYS 39 3.495 17.220 1.600 267 HE2 LYS 39 1HE LYS 39 1.893 18.524 -0.586 268 HE3 LYS 39 2HE LYS 39 1.248 18.267 1.034 269 HZ1 LYS 39 1HZ LYS 39 3.706 19.427 1.415 270 HZ2 LYS 39 2HZ LYS 39 2.200 20.180 1.576 271 HZ3 LYS 39 3HZ LYS 39 3.040 20.274 0.111 272 H THR 40 H THR 40 6.351 13.785 1.940 273 HA THR 40 HA THR 40 8.829 13.370 0.550 274 HB THR 40 HB THR 40 8.064 12.220 3.235 275 HG1 THR 40 1HG THR 40 8.226 14.169 4.044 276 HG21 THR 40 1HG2 THR 40 10.165 11.441 2.070 277 HG22 THR 40 2HG2 THR 40 10.405 12.158 3.664 278 HG23 THR 40 3HG2 THR 40 10.761 13.094 2.213 279 H LEU 41 H LEU 41 6.063 11.411 1.437 280 HA LEU 41 HA LEU 41 7.373 8.960 0.575 281 HB2 LEU 41 1HB LEU 41 5.833 9.106 2.570 282 HB3 LEU 41 2HB LEU 41 4.509 9.320 1.427 283 HG LEU 41 HG LEU 41 5.256 7.076 0.435 284 HD11 LEU 41 1HD1 LEU 41 6.687 6.996 3.086 285 HD12 LEU 41 2HD1 LEU 41 7.409 6.881 1.481 286 HD13 LEU 41 3HD1 LEU 41 6.367 5.587 2.073 287 HD21 LEU 41 1HD2 LEU 41 3.335 7.718 2.176 288 HD22 LEU 41 2HD2 LEU 41 4.274 6.623 3.191 289 HD23 LEU 41 3HD2 LEU 41 3.630 6.062 1.647 290 H ALA 42 H ALA 42 5.977 11.465 -0.971 291 HA ALA 42 HA ALA 42 4.150 10.323 -2.758 292 HB1 ALA 42 1HB ALA 42 5.603 12.366 -4.096 293 HB2 ALA 42 2HB ALA 42 3.993 12.446 -3.382 294 HB3 ALA 42 3HB ALA 42 5.411 12.836 -2.408 295 HA PRO 43 HA PRO 43 7.805 9.684 -5.844 296 HB2 PRO 43 1HB PRO 43 10.324 10.064 -4.907 297 HB3 PRO 43 2HB PRO 43 9.360 11.361 -5.621 298 HG2 PRO 43 1HG PRO 43 9.830 10.720 -2.735 299 HG3 PRO 43 2HG PRO 43 9.823 12.298 -3.544 300 HD2 PRO 43 1HD PRO 43 7.712 11.384 -2.115 301 HD3 PRO 43 2HD PRO 43 7.522 12.433 -3.534 302 H THR 44 H THR 44 8.468 8.872 -2.471 303 HA THR 44 HA THR 44 9.980 6.546 -2.919 304 HB THR 44 HB THR 44 8.217 7.294 -0.581 305 HG1 THR 44 1HG THR 44 10.986 7.221 -0.376 306 HG21 THR 44 1HG2 THR 44 8.456 4.924 -0.500 307 HG22 THR 44 2HG2 THR 44 9.616 5.593 0.648 308 HG23 THR 44 3HG2 THR 44 10.164 5.018 -0.926 309 H TRP 45 H TRP 45 6.513 6.889 -2.152 310 HA TRP 45 HA TRP 45 5.742 4.262 -2.226 311 HB2 TRP 45 1HB TRP 45 4.315 6.325 -1.751 312 HB3 TRP 45 2HB TRP 45 4.096 6.449 -3.495 313 HD1 TRP 45 HD TRP 45 1.899 5.408 -4.256 314 HE1 TRP 45 1HE TRP 45 0.401 3.462 -3.483 315 HE3 TRP 45 3HE TRP 45 4.685 3.760 -0.298 316 HZ2 TRP 45 2HZ TRP 45 0.401 1.490 -1.463 317 HZ3 TRP 45 3HZ TRP 45 3.865 1.840 1.003 318 HH2 TRP 45 HH TRP 45 1.767 0.730 0.432 319 H GLU 46 H GLU 46 6.426 6.384 -4.941 320 HA GLU 46 HA GLU 46 5.431 4.638 -6.954 321 HB2 GLU 46 1HB GLU 46 7.355 6.960 -7.039 322 HB3 GLU 46 2HB GLU 46 6.867 6.074 -8.477 323 HG2 GLU 46 1HG GLU 46 4.654 6.802 -8.319 324 HG3 GLU 46 2HG GLU 46 4.848 7.308 -6.642 325 H GLU 47 H GLU 47 8.711 5.328 -5.758 326 HA GLU 47 HA GLU 47 10.204 3.722 -7.394 327 HB2 GLU 47 1HB GLU 47 10.569 4.079 -4.414 328 HB3 GLU 47 2HB GLU 47 11.799 3.500 -5.529 329 HG2 GLU 47 1HG GLU 47 12.004 5.588 -6.567 330 HG3 GLU 47 2HG GLU 47 10.498 6.178 -5.869 331 H LEU 48 H LEU 48 8.206 2.753 -4.668 332 HA LEU 48 HA LEU 48 9.088 0.080 -4.488 333 HB2 LEU 48 1HB LEU 48 7.727 1.368 -2.800 334 HB3 LEU 48 2HB LEU 48 6.328 1.085 -3.832 335 HG LEU 48 HG LEU 48 6.809 -1.396 -3.544 336 HD11 LEU 48 1HD1 LEU 48 8.388 -2.148 -2.132 337 HD12 LEU 48 2HD1 LEU 48 8.160 -0.817 -0.998 338 HD13 LEU 48 3HD1 LEU 48 9.139 -0.583 -2.446 339 HD21 LEU 48 1HD2 LEU 48 5.442 -1.513 -1.670 340 HD22 LEU 48 2HD2 LEU 48 5.071 0.079 -2.335 341 HD23 LEU 48 3HD2 LEU 48 6.146 -0.068 -0.943 342 H SER 49 H SER 49 6.325 1.536 -6.188 343 HA SER 49 HA SER 49 5.128 -0.706 -7.219 344 HB2 SER 49 1HB SER 49 4.098 0.685 -8.806 345 HB3 SER 49 2HB SER 49 4.492 1.788 -7.488 346 HG SER 49 HG SER 49 5.561 2.874 -8.920 347 H LYS 50 H LYS 50 8.178 0.685 -8.088 348 HA LYS 50 HA LYS 50 8.397 -0.874 -10.532 349 HB2 LYS 50 1HB LYS 50 10.336 0.993 -9.156 350 HB3 LYS 50 2HB LYS 50 10.657 0.178 -10.681 351 HG2 LYS 50 1HG LYS 50 8.899 1.373 -11.769 352 HG3 LYS 50 2HG LYS 50 8.349 2.057 -10.238 353 HD2 LYS 50 1HD LYS 50 10.582 3.169 -10.030 354 HD3 LYS 50 2HD LYS 50 10.944 2.617 -11.668 355 HE2 LYS 50 1HE LYS 50 8.420 4.124 -11.172 356 HE3 LYS 50 2HE LYS 50 9.944 5.010 -11.227 357 HZ1 LYS 50 1HZ LYS 50 8.438 3.827 -13.367 358 HZ2 LYS 50 2HZ LYS 50 10.075 3.403 -13.405 359 HZ3 LYS 50 3HZ LYS 50 9.623 5.033 -13.418 360 H LYS 51 H LYS 51 9.492 -0.950 -7.220 361 HA LYS 51 HA LYS 51 11.639 -2.662 -7.316 362 HB2 LYS 51 1HB LYS 51 9.407 -2.432 -5.305 363 HB3 LYS 51 2HB LYS 51 10.775 -3.509 -5.062 364 HG2 LYS 51 1HG LYS 51 11.078 -0.560 -5.560 365 HG3 LYS 51 2HG LYS 51 10.930 -1.263 -3.947 366 HD2 LYS 51 1HD LYS 51 13.006 -2.210 -5.903 367 HD3 LYS 51 2HD LYS 51 13.290 -0.824 -4.847 368 HE2 LYS 51 1HE LYS 51 13.130 -2.135 -2.905 369 HE3 LYS 51 2HE LYS 51 12.374 -3.473 -3.769 370 HZ1 LYS 51 1HZ LYS 51 14.351 -4.240 -4.493 371 HZ2 LYS 51 2HZ LYS 51 14.941 -3.430 -3.131 372 HZ3 LYS 51 3HZ LYS 51 15.035 -2.702 -4.655 373 H GLU 52 H GLU 52 11.716 -4.997 -6.709 374 HA GLU 52 HA GLU 52 9.513 -6.498 -7.961 375 HB2 GLU 52 1HB GLU 52 12.293 -7.566 -8.081 376 HB3 GLU 52 2HB GLU 52 10.954 -7.802 -9.195 377 HG2 GLU 52 1HG GLU 52 12.581 -6.499 -10.314 378 HG3 GLU 52 2HG GLU 52 11.239 -5.428 -9.915 379 H PHE 53 H PHE 53 8.830 -8.322 -6.944 380 HA PHE 53 HA PHE 53 10.113 -8.934 -4.365 381 HB2 PHE 53 1HB PHE 53 7.270 -9.592 -5.134 382 HB3 PHE 53 2HB PHE 53 7.985 -9.609 -3.526 383 HD1 PHE 53 2HD PHE 53 8.431 -7.520 -2.342 384 HD2 PHE 53 1HD PHE 53 6.523 -7.557 -6.147 385 HE1 PHE 53 2HE PHE 53 7.685 -5.203 -1.987 386 HE2 PHE 53 1HE PHE 53 5.775 -5.239 -5.798 387 HZ PHE 53 HZ PHE 53 6.355 -4.059 -3.714 388 HA PRO 54 HA PRO 54 11.014 -12.663 -6.847 389 HB2 PRO 54 1HB PRO 54 13.263 -13.288 -5.461 390 HB3 PRO 54 2HB PRO 54 13.246 -12.118 -6.786 391 HG2 PRO 54 1HG PRO 54 13.181 -11.637 -3.832 392 HG3 PRO 54 2HG PRO 54 14.110 -10.790 -5.083 393 HD2 PRO 54 1HD PRO 54 11.821 -9.788 -4.040 394 HD3 PRO 54 2HD PRO 54 12.311 -9.498 -5.721 395 H GLY 55 H GLY 55 9.611 -14.228 -6.281 396 HA2 GLY 55 1HA GLY 55 9.385 -16.301 -5.061 397 HA3 GLY 55 2HA GLY 55 9.973 -15.466 -3.630 398 H LEU 56 H LEU 56 8.227 -13.117 -4.302 399 HA LEU 56 HA LEU 56 5.874 -14.097 -2.925 400 HB2 LEU 56 1HB LEU 56 6.597 -11.312 -3.821 401 HB3 LEU 56 2HB LEU 56 5.242 -11.739 -2.779 402 HG LEU 56 HG LEU 56 8.143 -11.559 -2.152 403 HD11 LEU 56 1HD1 LEU 56 7.015 -10.780 0.038 404 HD12 LEU 56 2HD1 LEU 56 5.547 -10.703 -0.936 405 HD13 LEU 56 3HD1 LEU 56 6.952 -9.730 -1.377 406 HD21 LEU 56 1HD2 LEU 56 7.537 -12.884 -0.022 407 HD22 LEU 56 2HD2 LEU 56 7.925 -13.775 -1.493 408 HD23 LEU 56 3HD2 LEU 56 6.244 -13.569 -1.005 409 H ALA 57 H ALA 57 3.701 -13.236 -3.653 410 HA ALA 57 HA ALA 57 3.287 -14.051 -6.392 411 HB1 ALA 57 1HB ALA 57 1.684 -13.812 -4.002 412 HB2 ALA 57 2HB ALA 57 0.863 -13.112 -5.398 413 HB3 ALA 57 3HB ALA 57 1.414 -14.787 -5.447 414 H GLY 58 H GLY 58 2.028 -12.779 -7.925 415 HA2 GLY 58 1HA GLY 58 3.064 -10.419 -8.688 416 HA3 GLY 58 2HA GLY 58 1.375 -10.813 -8.970 417 H VAL 59 H VAL 59 3.620 -9.015 -7.025 418 HA VAL 59 HA VAL 59 1.616 -7.985 -5.228 419 HB VAL 59 HB VAL 59 4.467 -7.098 -5.691 420 HG11 VAL 59 1HG1 VAL 59 2.300 -6.045 -4.007 421 HG12 VAL 59 2HG1 VAL 59 3.845 -6.280 -3.188 422 HG13 VAL 59 3HG1 VAL 59 3.752 -5.253 -4.618 423 HG21 VAL 59 1HG2 VAL 59 4.675 -9.211 -4.792 424 HG22 VAL 59 2HG2 VAL 59 4.637 -8.212 -3.339 425 HG23 VAL 59 3HG2 VAL 59 3.188 -9.075 -3.854 426 H LYS 60 H LYS 60 0.727 -5.938 -5.210 427 HA LYS 60 HA LYS 60 1.251 -4.231 -7.545 428 HB2 LYS 60 1HB LYS 60 -1.468 -4.991 -6.463 429 HB3 LYS 60 2HB LYS 60 -1.186 -3.757 -7.684 430 HG2 LYS 60 1HG LYS 60 -0.338 -5.406 -9.221 431 HG3 LYS 60 2HG LYS 60 -0.455 -6.662 -7.988 432 HD2 LYS 60 1HD LYS 60 -2.884 -5.096 -8.758 433 HD3 LYS 60 2HD LYS 60 -2.331 -6.423 -9.783 434 HE2 LYS 60 1HE LYS 60 -2.264 -7.737 -7.519 435 HE3 LYS 60 2HE LYS 60 -3.388 -6.486 -6.991 436 HZ1 LYS 60 1HZ LYS 60 -4.788 -8.096 -7.808 437 HZ2 LYS 60 2HZ LYS 60 -3.747 -8.543 -9.063 438 HZ3 LYS 60 3HZ LYS 60 -4.619 -7.098 -9.163 439 H ILE 61 H ILE 61 1.527 -2.139 -7.071 440 HA ILE 61 HA ILE 61 1.025 -1.290 -4.306 441 HB ILE 61 HB ILE 61 2.716 0.102 -6.383 442 HG12 ILE 61 1HG1 ILE 61 3.649 -2.104 -5.906 443 HG13 ILE 61 2HG1 ILE 61 4.652 -0.851 -5.185 444 HG21 ILE 61 1HG2 ILE 61 1.770 0.859 -3.805 445 HG22 ILE 61 2HG2 ILE 61 3.519 0.658 -3.732 446 HG23 ILE 61 3HG2 ILE 61 2.808 1.758 -4.912 447 HD11 ILE 61 1HD1 ILE 61 4.423 -2.693 -3.661 448 HD12 ILE 61 2HD1 ILE 61 3.575 -1.288 -3.014 449 HD13 ILE 61 3HD1 ILE 61 2.665 -2.600 -3.760 450 H ALA 62 H ALA 62 -0.835 -0.263 -4.011 451 HA ALA 62 HA ALA 62 -1.780 1.568 -6.119 452 HB1 ALA 62 1HB ALA 62 -3.172 -0.422 -4.470 453 HB2 ALA 62 2HB ALA 62 -3.992 1.133 -4.614 454 HB3 ALA 62 3HB ALA 62 -3.575 0.219 -6.063 455 H GLU 63 H GLU 63 -3.085 3.420 -5.307 456 HA GLU 63 HA GLU 63 -2.149 4.345 -2.673 457 HB2 GLU 63 1HB GLU 63 -0.858 5.751 -3.913 458 HB3 GLU 63 2HB GLU 63 -1.894 5.625 -5.328 459 HG2 GLU 63 1HG GLU 63 -2.962 7.074 -2.977 460 HG3 GLU 63 2HG GLU 63 -1.684 7.850 -3.910 461 H VAL 64 H VAL 64 -3.574 5.585 -1.473 462 HA VAL 64 HA VAL 64 -6.213 6.145 -2.605 463 HB VAL 64 HB VAL 64 -5.764 4.521 -0.100 464 HG11 VAL 64 1HG1 VAL 64 -8.322 5.685 -1.196 465 HG12 VAL 64 2HG1 VAL 64 -8.211 4.543 0.145 466 HG13 VAL 64 3HG1 VAL 64 -7.512 6.156 0.298 467 HG21 VAL 64 1HG2 VAL 64 -5.876 2.848 -1.585 468 HG22 VAL 64 2HG2 VAL 64 -7.600 3.213 -1.653 469 HG23 VAL 64 3HG2 VAL 64 -6.507 3.894 -2.858 470 H ASP 65 H ASP 65 -7.024 8.040 -1.942 471 HA ASP 65 HA ASP 65 -5.510 9.546 0.054 472 HB2 ASP 65 1HB ASP 65 -7.670 10.476 -1.853 473 HB3 ASP 65 2HB ASP 65 -6.691 11.511 -0.815 474 H CYS 66 H CYS 66 -6.438 10.488 1.862 475 HA CYS 66 HA CYS 66 -8.864 9.174 2.801 476 HB2 CYS 66 1HB CYS 66 -6.684 10.753 4.142 477 HB3 CYS 66 2HB CYS 66 -8.201 10.420 4.972 478 H THR 67 H THR 67 -8.494 11.648 0.901 479 HA THR 67 HA THR 67 -10.298 13.479 2.324 480 HB THR 67 HB THR 67 -9.714 15.149 0.628 481 HG1 THR 67 1HG THR 67 -8.469 12.933 -0.533 482 HG21 THR 67 1HG2 THR 67 -8.335 15.069 2.615 483 HG22 THR 67 2HG2 THR 67 -7.320 15.426 1.217 484 HG23 THR 67 3HG2 THR 67 -7.333 13.802 1.907 485 H ALA 68 H ALA 68 -9.939 11.604 -0.636 486 HA ALA 68 HA ALA 68 -12.601 12.404 -1.536 487 HB1 ALA 68 1HB ALA 68 -10.531 12.226 -3.052 488 HB2 ALA 68 2HB ALA 68 -10.809 10.486 -2.982 489 HB3 ALA 68 3HB ALA 68 -12.054 11.552 -3.632 490 H GLU 69 H GLU 69 -10.818 9.532 -0.503 491 HA GLU 69 HA GLU 69 -13.363 8.055 -0.415 492 HB2 GLU 69 1HB GLU 69 -10.525 7.051 -0.658 493 HB3 GLU 69 2HB GLU 69 -11.910 6.005 -0.382 494 HG2 GLU 69 1HG GLU 69 -11.476 7.776 -2.776 495 HG3 GLU 69 2HG GLU 69 -11.282 6.024 -2.723 496 H ARG 70 H ARG 70 -13.589 9.371 1.642 497 HA ARG 70 HA ARG 70 -11.961 8.816 3.886 498 HB2 ARG 70 1HB ARG 70 -14.832 9.524 4.254 499 HB3 ARG 70 2HB ARG 70 -13.411 10.141 5.085 500 HG2 ARG 70 1HG ARG 70 -12.889 11.157 2.708 501 HG3 ARG 70 2HG ARG 70 -14.637 11.001 2.523 502 HD2 ARG 70 1HD ARG 70 -13.565 12.231 5.014 503 HD3 ARG 70 2HD ARG 70 -13.550 13.182 3.530 504 HE ARG 70 HE ARG 70 -15.858 12.400 5.076 505 HH11 ARG 70 2HH1 ARG 70 -14.673 13.517 1.999 506 HH12 ARG 70 1HH1 ARG 70 -16.195 14.186 1.509 507 HH21 ARG 70 2HH2 ARG 70 -17.867 13.276 4.442 508 HH22 ARG 70 1HH2 ARG 70 -18.010 14.049 2.900 509 H ASN 71 H ASN 71 -15.175 7.583 2.962 510 HA ASN 71 HA ASN 71 -15.811 5.921 4.971 511 HB2 ASN 71 1HB ASN 71 -16.124 5.695 2.021 512 HB3 ASN 71 2HB ASN 71 -16.473 4.259 2.979 513 HD21 ASN 71 1HD2 ASN 71 -17.447 7.470 2.168 514 HD22 ASN 71 2HD2 ASN 71 -18.978 7.434 2.968 515 H ILE 72 H ILE 72 -13.502 5.116 2.393 516 HA ILE 72 HA ILE 72 -12.869 2.537 3.341 517 HB ILE 72 HB ILE 72 -11.173 4.406 1.681 518 HG12 ILE 72 1HG1 ILE 72 -13.226 2.313 0.968 519 HG13 ILE 72 2HG1 ILE 72 -13.213 4.014 0.518 520 HG21 ILE 72 1HG2 ILE 72 -10.056 2.427 2.875 521 HG22 ILE 72 2HG2 ILE 72 -10.956 1.418 1.744 522 HG23 ILE 72 3HG2 ILE 72 -9.797 2.601 1.140 523 HD11 ILE 72 1HD1 ILE 72 -12.584 2.934 -1.426 524 HD12 ILE 72 2HD1 ILE 72 -11.042 3.438 -0.734 525 HD13 ILE 72 3HD1 ILE 72 -11.577 1.766 -0.571 526 H CYS 73 H CYS 73 -11.089 5.612 3.659 527 HA CYS 73 HA CYS 73 -9.015 4.689 5.260 528 HB2 CYS 73 1HB CYS 73 -10.298 7.357 4.846 529 HB3 CYS 73 2HB CYS 73 -9.138 7.173 6.156 530 H SER 74 H SER 74 -11.919 6.433 6.387 531 HA SER 74 HA SER 74 -11.570 6.199 9.090 532 HB2 SER 74 1HB SER 74 -13.481 7.322 7.731 533 HB3 SER 74 2HB SER 74 -14.300 5.771 7.903 534 HG SER 74 HG SER 74 -13.563 6.205 10.278 535 H LYS 75 H LYS 75 -12.747 3.758 6.854 536 HA LYS 75 HA LYS 75 -13.619 1.890 8.789 537 HB2 LYS 75 1HB LYS 75 -14.390 1.645 6.542 538 HB3 LYS 75 2HB LYS 75 -12.748 1.581 5.917 539 HG2 LYS 75 1HG LYS 75 -12.620 -0.533 7.505 540 HG3 LYS 75 2HG LYS 75 -14.364 -0.525 7.235 541 HD2 LYS 75 1HD LYS 75 -12.433 -0.319 4.948 542 HD3 LYS 75 2HD LYS 75 -12.885 -1.884 5.626 543 HE2 LYS 75 1HE LYS 75 -15.315 -1.027 5.311 544 HE3 LYS 75 2HE LYS 75 -14.581 0.124 4.196 545 HZ1 LYS 75 1HZ LYS 75 -13.823 -1.602 2.821 546 HZ2 LYS 75 2HZ LYS 75 -15.416 -2.020 3.206 547 HZ3 LYS 75 3HZ LYS 75 -14.128 -2.795 3.983 548 H TYR 76 H TYR 76 -10.508 2.525 7.291 549 HA TYR 76 HA TYR 76 -9.310 0.242 8.666 550 HB2 TYR 76 1HB TYR 76 -8.225 2.177 6.617 551 HB3 TYR 76 2HB TYR 76 -7.245 0.939 7.394 552 HD1 TYR 76 1HD TYR 76 -8.100 -1.506 7.175 553 HD2 TYR 76 2HD TYR 76 -9.362 1.679 4.652 554 HE1 TYR 76 1HE TYR 76 -8.811 -3.139 5.478 555 HE2 TYR 76 2HE TYR 76 -10.077 0.055 2.948 556 HH TYR 76 HH TYR 76 -10.147 -3.368 3.588 557 H SER 77 H SER 77 -10.301 2.673 10.057 558 HA SER 77 HA SER 77 -9.617 4.274 11.560 559 HB2 SER 77 1HB SER 77 -9.316 1.988 12.668 560 HB3 SER 77 2HB SER 77 -7.591 2.184 12.359 561 HG SER 77 HG SER 77 -9.276 3.663 14.057 562 H VAL 78 H VAL 78 -8.437 4.782 9.115 563 HA VAL 78 HA VAL 78 -5.600 5.222 9.516 564 HB VAL 78 HB VAL 78 -7.266 6.238 7.219 565 HG11 VAL 78 1HG1 VAL 78 -4.457 5.338 6.935 566 HG12 VAL 78 2HG1 VAL 78 -5.310 6.666 6.145 567 HG13 VAL 78 3HG1 VAL 78 -4.737 6.847 7.803 568 HG21 VAL 78 1HG2 VAL 78 -7.104 4.221 6.104 569 HG22 VAL 78 2HG2 VAL 78 -5.767 3.653 7.106 570 HG23 VAL 78 3HG2 VAL 78 -7.405 3.694 7.760 571 H ARG 79 H ARG 79 -5.467 6.705 11.196 572 HA ARG 79 HA ARG 79 -6.575 9.377 10.633 573 HB2 ARG 79 1HB ARG 79 -6.439 9.787 13.064 574 HB3 ARG 79 2HB ARG 79 -7.498 8.438 12.672 575 HG2 ARG 79 1HG ARG 79 -6.017 6.863 13.508 576 HG3 ARG 79 2HG ARG 79 -4.639 7.959 13.399 577 HD2 ARG 79 1HD ARG 79 -5.021 8.031 15.650 578 HD3 ARG 79 2HD ARG 79 -6.051 9.362 15.124 579 HE ARG 79 HE ARG 79 -6.898 6.821 16.206 580 HH11 ARG 79 2HH1 ARG 79 -7.806 9.647 14.388 581 HH12 ARG 79 1HH1 ARG 79 -9.498 9.471 14.710 582 HH21 ARG 79 2HH2 ARG 79 -9.125 6.579 16.639 583 HH22 ARG 79 1HH2 ARG 79 -10.247 7.726 15.991 584 H GLY 80 H GLY 80 -3.725 7.519 11.219 585 HA2 GLY 80 1HA GLY 80 -2.119 9.986 11.395 586 HA3 GLY 80 2HA GLY 80 -1.594 8.405 11.954 587 H TYR 81 H TYR 81 -1.694 10.596 9.338 588 HA TYR 81 HA TYR 81 -0.722 8.564 7.457 589 HB2 TYR 81 1HB TYR 81 -1.172 11.385 6.613 590 HB3 TYR 81 2HB TYR 81 -1.454 9.890 5.729 591 HD1 TYR 81 1HD TYR 81 -3.371 8.366 6.819 592 HD2 TYR 81 2HD TYR 81 -3.023 12.581 7.287 593 HE1 TYR 81 1HE TYR 81 -5.768 8.498 7.352 594 HE2 TYR 81 2HE TYR 81 -5.419 12.725 7.824 595 HH TYR 81 HH TYR 81 -7.205 10.560 8.861 596 HA PRO 82 HA PRO 82 0.231 8.945 5.304 597 HB2 PRO 82 1HB PRO 82 2.408 7.505 4.557 598 HB3 PRO 82 2HB PRO 82 2.146 9.181 4.059 599 HG2 PRO 82 1HG PRO 82 3.867 8.106 6.260 600 HG3 PRO 82 2HG PRO 82 4.225 9.382 5.081 601 HD2 PRO 82 1HD PRO 82 3.465 9.919 7.625 602 HD3 PRO 82 2HD PRO 82 3.047 10.975 6.260 603 H THR 83 H THR 83 -0.415 6.780 5.000 604 HA THR 83 HA THR 83 0.290 4.919 7.170 605 HB THR 83 HB THR 83 -2.494 5.178 6.025 606 HG1 THR 83 1HG THR 83 -2.908 6.127 8.167 607 HG21 THR 83 1HG2 THR 83 -2.874 3.268 7.105 608 HG22 THR 83 2HG2 THR 83 -2.418 4.043 8.622 609 HG23 THR 83 3HG2 THR 83 -1.197 3.223 7.648 610 H LEU 84 H LEU 84 0.527 2.795 6.608 611 HA LEU 84 HA LEU 84 -0.053 2.040 3.829 612 HB2 LEU 84 1HB LEU 84 2.430 1.019 5.111 613 HB3 LEU 84 2HB LEU 84 2.056 1.247 3.403 614 HG LEU 84 HG LEU 84 2.388 3.650 5.139 615 HD11 LEU 84 1HD1 LEU 84 4.405 1.643 4.794 616 HD12 LEU 84 2HD1 LEU 84 4.480 3.162 5.686 617 HD13 LEU 84 3HD1 LEU 84 4.882 3.127 3.969 618 HD21 LEU 84 1HD2 LEU 84 3.592 3.513 2.477 619 HD22 LEU 84 2HD2 LEU 84 2.537 4.736 3.185 620 HD23 LEU 84 3HD2 LEU 84 1.845 3.270 2.489 621 H LEU 85 H LEU 85 -0.964 0.085 3.602 622 HA LEU 85 HA LEU 85 -0.769 -1.842 5.803 623 HB2 LEU 85 1HB LEU 85 -3.305 -0.838 4.532 624 HB3 LEU 85 2HB LEU 85 -3.222 -2.327 5.471 625 HG LEU 85 HG LEU 85 -2.419 0.323 6.636 626 HD11 LEU 85 1HD1 LEU 85 -5.049 -0.492 5.842 627 HD12 LEU 85 2HD1 LEU 85 -4.525 1.010 6.604 628 HD13 LEU 85 3HD1 LEU 85 -4.954 -0.381 7.600 629 HD21 LEU 85 1HD2 LEU 85 -3.049 -2.410 7.676 630 HD22 LEU 85 2HD2 LEU 85 -3.257 -0.993 8.706 631 HD23 LEU 85 3HD2 LEU 85 -1.671 -1.367 8.029 632 H LEU 86 H LEU 86 -1.133 -4.023 5.202 633 HA LEU 86 HA LEU 86 -0.844 -4.495 2.311 634 HB2 LEU 86 1HB LEU 86 1.079 -5.184 3.636 635 HB3 LEU 86 2HB LEU 86 0.038 -6.185 4.645 636 HG LEU 86 HG LEU 86 -0.500 -7.403 2.401 637 HD11 LEU 86 1HD1 LEU 86 1.235 -7.366 0.769 638 HD12 LEU 86 2HD1 LEU 86 2.227 -6.299 1.761 639 HD13 LEU 86 3HD1 LEU 86 0.730 -5.699 1.047 640 HD21 LEU 86 1HD2 LEU 86 0.586 -8.975 3.526 641 HD22 LEU 86 2HD2 LEU 86 1.451 -7.751 4.457 642 HD23 LEU 86 3HD2 LEU 86 2.113 -8.326 2.925 643 H PHE 87 H PHE 87 -1.967 -6.221 1.344 644 HA PHE 87 HA PHE 87 -4.054 -7.518 2.932 645 HB2 PHE 87 1HB PHE 87 -4.573 -5.957 0.393 646 HB3 PHE 87 2HB PHE 87 -5.747 -7.006 1.182 647 HD1 PHE 87 1HD PHE 87 -3.940 -3.832 1.373 648 HD2 PHE 87 2HD PHE 87 -6.837 -6.340 3.223 649 HE1 PHE 87 1HE PHE 87 -4.663 -1.949 2.783 650 HE2 PHE 87 2HE PHE 87 -7.567 -4.462 4.635 651 HZ PHE 87 HZ PHE 87 -6.480 -2.263 4.416 652 H ARG 88 H ARG 88 -3.915 -9.624 2.585 653 HA ARG 88 HA ARG 88 -3.162 -10.565 -0.103 654 HB2 ARG 88 1HB ARG 88 -1.297 -10.892 1.447 655 HB3 ARG 88 2HB ARG 88 -2.353 -11.762 2.552 656 HG2 ARG 88 1HG ARG 88 -2.428 -13.637 1.225 657 HG3 ARG 88 2HG ARG 88 -2.043 -12.740 -0.246 658 HD2 ARG 88 1HD ARG 88 0.243 -12.333 0.771 659 HD3 ARG 88 2HD ARG 88 -0.191 -13.533 1.988 660 HE ARG 88 HE ARG 88 0.627 -14.038 -0.692 661 HH11 ARG 88 2HH1 ARG 88 -1.416 -15.212 1.871 662 HH12 ARG 88 1HH1 ARG 88 -1.385 -16.854 1.321 663 HH21 ARG 88 2HH2 ARG 88 0.675 -16.197 -1.427 664 HH22 ARG 88 1HH2 ARG 88 -0.194 -17.414 -0.555 665 H GLY 89 H GLY 89 -4.806 -11.598 -1.016 666 HA2 GLY 89 1HA GLY 89 -6.397 -13.283 -1.255 667 HA3 GLY 89 2HA GLY 89 -6.240 -13.640 0.459 668 H GLY 90 H GLY 90 -6.749 -10.351 -0.427 669 HA2 GLY 90 1HA GLY 90 -8.636 -9.009 -0.396 670 HA3 GLY 90 2HA GLY 90 -9.625 -10.461 -0.332 671 H LYS 91 H LYS 91 -7.051 -9.694 1.934 672 HA LYS 91 HA LYS 91 -8.885 -8.735 3.947 673 HB2 LYS 91 1HB LYS 91 -8.516 -10.508 5.541 674 HB3 LYS 91 2HB LYS 91 -9.151 -11.205 4.057 675 HG2 LYS 91 1HG LYS 91 -6.735 -11.700 3.440 676 HG3 LYS 91 2HG LYS 91 -6.349 -11.321 5.121 677 HD2 LYS 91 1HD LYS 91 -8.512 -13.286 4.478 678 HD3 LYS 91 2HD LYS 91 -6.821 -13.785 4.436 679 HE2 LYS 91 1HE LYS 91 -8.062 -12.404 6.804 680 HE3 LYS 91 2HE LYS 91 -8.048 -14.157 6.619 681 HZ1 LYS 91 1HZ LYS 91 -6.184 -13.113 7.959 682 HZ2 LYS 91 2HZ LYS 91 -5.562 -12.562 6.485 683 HZ3 LYS 91 3HZ LYS 91 -5.733 -14.222 6.763 684 H LYS 92 H LYS 92 -7.861 -7.697 5.647 685 HA LYS 92 HA LYS 92 -5.389 -6.534 5.174 686 HB2 LYS 92 1HB LYS 92 -5.564 -5.555 7.299 687 HB3 LYS 92 2HB LYS 92 -7.232 -5.823 6.810 688 HG2 LYS 92 1HG LYS 92 -6.942 -8.071 8.110 689 HG3 LYS 92 2HG LYS 92 -5.623 -7.204 8.900 690 HD2 LYS 92 1HD LYS 92 -8.274 -5.866 8.656 691 HD3 LYS 92 2HD LYS 92 -8.074 -7.136 9.865 692 HE2 LYS 92 1HE LYS 92 -6.152 -5.929 10.798 693 HE3 LYS 92 2HE LYS 92 -6.376 -4.656 9.598 694 HZ1 LYS 92 1HZ LYS 92 -7.413 -4.539 12.023 695 HZ2 LYS 92 2HZ LYS 92 -8.687 -5.328 11.239 696 HZ3 LYS 92 3HZ LYS 92 -8.154 -3.821 10.682 697 H VAL 93 H VAL 93 -3.314 -6.871 5.964 698 HA VAL 93 HA VAL 93 -2.815 -9.575 7.027 699 HB VAL 93 HB VAL 93 -0.934 -7.864 5.397 700 HG11 VAL 93 1HG1 VAL 93 0.656 -9.226 6.135 701 HG12 VAL 93 2HG1 VAL 93 -0.522 -10.170 7.047 702 HG13 VAL 93 3HG1 VAL 93 -0.184 -10.571 5.363 703 HG21 VAL 93 1HG2 VAL 93 -1.422 -9.192 3.523 704 HG22 VAL 93 2HG2 VAL 93 -2.273 -10.396 4.490 705 HG23 VAL 93 3HG2 VAL 93 -2.995 -8.809 4.224 706 H SER 94 H SER 94 -1.166 -6.410 6.909 707 HA SER 94 HA SER 94 -1.010 -6.230 9.759 708 HB2 SER 94 1HB SER 94 0.818 -7.918 9.036 709 HB3 SER 94 2HB SER 94 1.661 -6.506 8.400 710 HG SER 94 HG SER 94 0.936 -7.068 11.074 711 H GLU 95 H GLU 95 0.492 -4.345 10.387 712 HA GLU 95 HA GLU 95 0.220 -2.242 8.340 713 HB2 GLU 95 1HB GLU 95 -1.259 -1.914 10.274 714 HB3 GLU 95 2HB GLU 95 0.129 -1.974 11.350 715 HG2 GLU 95 1HG GLU 95 0.991 0.064 10.482 716 HG3 GLU 95 2HG GLU 95 -0.193 0.076 9.176 717 H HIS 96 H HIS 96 2.064 -1.479 7.571 718 HA HIS 96 HA HIS 96 4.592 -2.201 8.630 719 HB2 HIS 96 1HB HIS 96 4.117 -1.693 6.218 720 HB3 HIS 96 2HB HIS 96 4.004 0.009 6.653 721 HD1 HIS 96 1HD HIS 96 6.457 0.156 8.550 722 HD2 HIS 96 2HD HIS 96 6.457 -1.658 4.812 723 HE1 HIS 96 1HE HIS 96 8.858 0.151 7.805 724 HE2 HIS 96 2HE HIS 96 8.823 -0.874 5.505 725 H SER 97 H SER 97 5.201 -1.467 10.572 726 HA SER 97 HA SER 97 5.173 1.445 10.993 727 HB2 SER 97 1HB SER 97 4.610 1.131 13.337 728 HB3 SER 97 2HB SER 97 3.382 0.358 12.336 729 HG SER 97 HG SER 97 4.036 -1.570 12.986 730 H GLY 98 H GLY 98 7.383 1.150 10.118 731 HA2 GLY 98 1HA GLY 98 9.307 1.242 12.163 732 HA3 GLY 98 2HA GLY 98 9.364 -0.352 11.425 733 H GLY 99 H GLY 99 9.026 2.999 10.237 734 HA2 GLY 99 1HA GLY 99 10.769 4.107 9.016 735 HA3 GLY 99 2HA GLY 99 11.386 2.531 8.542 736 H ARG 100 H ARG 100 9.731 5.192 7.488 737 HA ARG 100 HA ARG 100 8.161 3.715 5.503 738 HB2 ARG 100 1HB ARG 100 8.188 6.663 6.175 739 HB3 ARG 100 2HB ARG 100 7.137 5.901 4.990 740 HG2 ARG 100 1HG ARG 100 6.421 4.417 7.022 741 HG3 ARG 100 2HG ARG 100 7.053 5.772 7.962 742 HD2 ARG 100 1HD ARG 100 5.450 7.232 7.185 743 HD3 ARG 100 2HD ARG 100 5.183 6.314 5.704 744 HE ARG 100 HE ARG 100 3.545 5.162 6.790 745 HH11 ARG 100 2HH1 ARG 100 5.676 6.554 9.164 746 HH12 ARG 100 1HH1 ARG 100 4.718 6.046 10.514 747 HH21 ARG 100 2HH2 ARG 100 2.273 4.487 8.558 748 HH22 ARG 100 1HH2 ARG 100 2.782 4.869 10.169 749 H ASP 101 H ASP 101 10.784 3.400 5.033 750 HA ASP 101 HA ASP 101 11.452 5.339 2.923 751 HB2 ASP 101 1HB ASP 101 13.159 3.522 4.611 752 HB3 ASP 101 2HB ASP 101 13.766 4.230 3.117 753 H LEU 102 H LEU 102 12.471 4.468 0.967 754 HA LEU 102 HA LEU 102 10.935 2.638 -0.371 755 HB2 LEU 102 1HB LEU 102 12.363 4.010 -1.635 756 HB3 LEU 102 2HB LEU 102 13.792 3.474 -0.753 757 HG LEU 102 HG LEU 102 13.546 1.244 -1.830 758 HD11 LEU 102 1HD1 LEU 102 12.103 1.508 -4.036 759 HD12 LEU 102 2HD1 LEU 102 11.185 2.605 -3.004 760 HD13 LEU 102 3HD1 LEU 102 11.405 0.921 -2.526 761 HD21 LEU 102 1HD2 LEU 102 13.959 2.338 -4.246 762 HD22 LEU 102 2HD2 LEU 102 15.162 2.348 -2.957 763 HD23 LEU 102 3HD2 LEU 102 14.152 3.769 -3.233 764 H ASP 103 H ASP 103 14.205 1.942 0.881 765 HA ASP 103 HA ASP 103 14.094 -0.824 0.461 766 HB2 ASP 103 1HB ASP 103 15.729 0.883 2.329 767 HB3 ASP 103 2HB ASP 103 15.918 -0.866 2.265 768 H SER 104 H SER 104 13.436 1.071 3.396 769 HA SER 104 HA SER 104 12.881 -1.023 5.130 770 HB2 SER 104 1HB SER 104 12.010 1.837 4.989 771 HB3 SER 104 2HB SER 104 11.253 0.770 6.172 772 HG SER 104 HG SER 104 13.915 1.631 5.987 773 H LEU 105 H LEU 105 10.969 0.304 2.554 774 HA LEU 105 HA LEU 105 8.498 -0.895 3.406 775 HB2 LEU 105 1HB LEU 105 9.381 0.433 0.857 776 HB3 LEU 105 2HB LEU 105 7.777 -0.270 1.057 777 HG LEU 105 HG LEU 105 8.740 1.798 2.990 778 HD11 LEU 105 1HD1 LEU 105 9.193 2.827 0.873 779 HD12 LEU 105 2HD1 LEU 105 7.711 3.521 1.528 780 HD13 LEU 105 3HD1 LEU 105 7.628 2.321 0.239 781 HD21 LEU 105 1HD2 LEU 105 6.655 1.648 3.733 782 HD22 LEU 105 2HD2 LEU 105 6.379 0.326 2.598 783 HD23 LEU 105 3HD2 LEU 105 6.015 1.985 2.124 784 H HIS 106 H HIS 106 10.927 -1.580 0.910 785 HA HIS 106 HA HIS 106 9.700 -3.785 -0.265 786 HB2 HIS 106 1HB HIS 106 11.768 -2.572 -1.072 787 HB3 HIS 106 2HB HIS 106 12.679 -3.480 0.130 788 HD1 HIS 106 1HD HIS 106 14.016 -5.023 -1.307 789 HD2 HIS 106 2HD HIS 106 9.986 -5.015 -2.318 790 HE1 HIS 106 1HE HIS 106 13.745 -6.858 -3.005 791 HE2 HIS 106 2HE HIS 106 11.316 -6.778 -3.665 792 H ARG 107 H ARG 107 12.245 -3.826 2.238 793 HA ARG 107 HA ARG 107 12.334 -6.517 2.748 794 HB2 ARG 107 1HB ARG 107 13.209 -5.983 4.931 795 HB3 ARG 107 2HB ARG 107 13.812 -4.802 3.776 796 HG2 ARG 107 1HG ARG 107 11.837 -3.348 4.550 797 HG3 ARG 107 2HG ARG 107 11.760 -4.453 5.924 798 HD2 ARG 107 1HD ARG 107 14.057 -2.697 5.090 799 HD3 ARG 107 2HD ARG 107 13.111 -2.604 6.573 800 HE ARG 107 HE ARG 107 14.178 -5.076 6.700 801 HH11 ARG 107 2HH1 ARG 107 15.548 -1.928 6.123 802 HH12 ARG 107 1HH1 ARG 107 17.081 -2.323 6.828 803 HH21 ARG 107 2HH2 ARG 107 16.193 -5.607 7.630 804 HH22 ARG 107 1HH2 ARG 107 17.447 -4.416 7.683 805 H PHE 108 H PHE 108 10.048 -4.153 4.053 806 HA PHE 108 HA PHE 108 8.740 -5.740 5.910 807 HB2 PHE 108 1HB PHE 108 8.289 -3.368 5.751 808 HB3 PHE 108 2HB PHE 108 7.628 -3.562 4.132 809 HD1 PHE 108 1HD PHE 108 7.072 -4.396 7.692 810 HD2 PHE 108 2HD PHE 108 5.368 -4.096 3.803 811 HE1 PHE 108 1HE PHE 108 4.831 -4.717 8.653 812 HE2 PHE 108 2HE PHE 108 3.124 -4.415 4.758 813 HZ PHE 108 HZ PHE 108 2.852 -4.725 7.186 814 H VAL 109 H VAL 109 7.714 -5.157 2.541 815 HA VAL 109 HA VAL 109 5.643 -7.030 2.503 816 HB VAL 109 HB VAL 109 7.361 -6.083 0.204 817 HG11 VAL 109 1HG1 VAL 109 6.336 -7.863 -0.777 818 HG12 VAL 109 2HG1 VAL 109 4.975 -7.842 0.345 819 HG13 VAL 109 3HG1 VAL 109 5.053 -6.670 -0.970 820 HG21 VAL 109 1HG2 VAL 109 4.964 -4.843 -0.057 821 HG22 VAL 109 2HG2 VAL 109 5.117 -4.912 1.699 822 HG23 VAL 109 3HG2 VAL 109 6.371 -4.132 0.735 823 H LEU 110 H LEU 110 9.088 -7.409 2.051 824 HA LEU 110 HA LEU 110 8.923 -10.070 0.993 825 HB2 LEU 110 1HB LEU 110 11.215 -8.487 2.138 826 HB3 LEU 110 2HB LEU 110 11.383 -10.098 1.443 827 HG LEU 110 HG LEU 110 10.306 -7.772 -0.131 828 HD11 LEU 110 1HD1 LEU 110 12.841 -8.138 -1.048 829 HD12 LEU 110 2HD1 LEU 110 13.058 -8.347 0.691 830 HD13 LEU 110 3HD1 LEU 110 12.343 -6.862 0.064 831 HD21 LEU 110 1HD2 LEU 110 10.245 -9.181 -1.864 832 HD22 LEU 110 2HD2 LEU 110 10.338 -10.461 -0.653 833 HD23 LEU 110 3HD2 LEU 110 11.805 -9.897 -1.455 834 H SER 111 H SER 111 8.562 -8.747 4.063 835 HA SER 111 HA SER 111 9.357 -11.249 5.387 836 HB2 SER 111 1HB SER 111 10.193 -8.892 6.142 837 HB3 SER 111 2HB SER 111 8.593 -8.751 6.869 838 HG SER 111 HG SER 111 10.682 -10.526 7.486 839 H GLN 112 H GLN 112 6.667 -9.162 4.682 840 HA GLN 112 HA GLN 112 4.861 -10.456 6.515 841 HB2 GLN 112 1HB GLN 112 4.528 -8.402 4.343 842 HB3 GLN 112 2HB GLN 112 3.136 -9.124 5.138 843 HG2 GLN 112 1HG GLN 112 5.209 -7.291 6.243 844 HG3 GLN 112 2HG GLN 112 3.452 -7.198 6.351 845 HE21 GLN 112 1HE2 GLN 112 6.247 -7.963 7.974 846 HE22 GLN 112 2HE2 GLN 112 5.565 -8.855 9.287 847 H ALA 113 H ALA 113 5.695 -10.710 3.120 848 HA ALA 113 HA ALA 113 3.552 -12.620 2.625 849 HB1 ALA 113 1HB ALA 113 4.874 -10.763 1.034 850 HB2 ALA 113 2HB ALA 113 5.441 -12.332 0.460 851 HB3 ALA 113 3HB ALA 113 3.713 -11.980 0.503 852 H LYS 114 H LYS 114 6.157 -12.985 4.302 853 HA LYS 114 HA LYS 114 6.839 -15.600 3.132 854 HB2 LYS 114 1HB LYS 114 8.638 -13.480 4.257 855 HB3 LYS 114 2HB LYS 114 9.114 -15.171 4.342 856 HG2 LYS 114 1HG LYS 114 8.581 -15.161 1.792 857 HG3 LYS 114 2HG LYS 114 8.783 -13.416 1.957 858 HD2 LYS 114 1HD LYS 114 11.017 -13.673 2.753 859 HD3 LYS 114 2HD LYS 114 10.824 -15.421 2.902 860 HE2 LYS 114 1HE LYS 114 10.422 -14.136 0.242 861 HE3 LYS 114 2HE LYS 114 12.064 -14.370 0.840 862 HZ1 LYS 114 1HZ LYS 114 10.356 -16.254 -0.345 863 HZ2 LYS 114 2HZ LYS 114 10.659 -16.747 1.244 864 HZ3 LYS 114 3HZ LYS 114 11.948 -16.466 0.186 865 H ASP 115 H ASP 115 5.620 -16.885 4.428 866 HA ASP 115 HA ASP 115 6.042 -16.645 7.335 867 HB2 ASP 115 1HB ASP 115 3.657 -17.465 5.715 868 HB3 ASP 115 2HB ASP 115 3.860 -18.100 7.346 869 H GLU 116 H GLU 116 7.723 -17.994 7.714 870 HA GLU 116 HA GLU 116 7.449 -20.776 6.779 871 HB2 GLU 116 1HB GLU 116 9.420 -19.428 5.903 872 HB3 GLU 116 2HB GLU 116 10.041 -19.439 7.547 873 HG2 GLU 116 1HG GLU 116 11.148 -21.214 6.605 874 HG3 GLU 116 2HG GLU 116 9.770 -22.008 7.367 875 H LEU 117 H LEU 117 6.439 -21.713 8.488 876 HA LEU 117 HA LEU 117 7.570 -21.312 11.165 877 HB2 LEU 117 1HB LEU 117 5.503 -22.446 11.948 878 HB3 LEU 117 2HB LEU 117 5.222 -20.931 11.093 879 HG LEU 117 HG LEU 117 5.038 -23.478 9.560 880 HD11 LEU 117 1HD1 LEU 117 2.543 -22.584 10.834 881 HD12 LEU 117 2HD1 LEU 117 3.702 -23.371 11.905 882 HD13 LEU 117 3HD1 LEU 117 3.116 -24.211 10.468 883 HD21 LEU 117 1HD2 LEU 117 4.357 -20.703 9.235 884 HD22 LEU 117 2HD2 LEU 117 2.932 -21.719 9.017 885 HD23 LEU 117 3HD2 LEU 117 4.375 -22.001 8.040 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -5.568 -4.016 -13.507 2 HA2 GLY 1 1HA GLY 1 -6.703 -2.107 -14.493 3 HA3 GLY 1 2HA GLY 1 -5.050 -2.125 -15.089 4 H SER 2 H SER 2 -8.048 -1.582 -16.075 5 HA SER 2 HA SER 2 -7.648 -2.836 -18.712 6 HB2 SER 2 1HB SER 2 -10.258 -1.856 -17.535 7 HB3 SER 2 2HB SER 2 -10.045 -2.768 -19.030 8 HG SER 2 HG SER 2 -10.661 -3.918 -16.967 9 H SER 3 H SER 3 -7.331 -1.553 -20.412 10 HA SER 3 HA SER 3 -6.978 0.328 -21.645 11 HB2 SER 3 1HB SER 3 -9.530 0.269 -21.420 12 HB3 SER 3 2HB SER 3 -9.339 1.529 -20.202 13 HG SER 3 HG SER 3 -8.980 1.640 -22.955 14 H GLY 4 H GLY 4 -5.463 0.156 -19.290 15 HA2 GLY 4 1HA GLY 4 -4.510 2.803 -19.071 16 HA3 GLY 4 2HA GLY 4 -5.494 2.430 -17.663 17 H SER 5 H SER 5 -2.416 2.486 -18.777 18 HA SER 5 HA SER 5 -1.565 0.292 -17.003 19 HB2 SER 5 1HB SER 5 -0.503 1.312 -19.592 20 HB3 SER 5 2HB SER 5 0.666 0.729 -18.408 21 HG SER 5 HG SER 5 -0.945 -1.151 -18.328 22 H SER 6 H SER 6 -1.082 1.128 -15.075 23 HA SER 6 HA SER 6 0.481 3.624 -14.988 24 HB2 SER 6 1HB SER 6 -0.387 3.780 -12.606 25 HB3 SER 6 2HB SER 6 -1.596 3.990 -13.873 26 HG SER 6 HG SER 6 -1.358 2.020 -11.979 27 H GLY 7 H GLY 7 2.540 2.800 -15.067 28 HA2 GLY 7 1HA GLY 7 3.311 0.610 -13.327 29 HA3 GLY 7 2HA GLY 7 4.350 1.460 -14.463 30 H THR 8 H THR 8 2.494 3.407 -12.334 31 HA THR 8 HA THR 8 4.887 3.861 -10.672 32 HB THR 8 HB THR 8 3.631 6.196 -10.368 33 HG1 THR 8 1HG THR 8 2.036 5.280 -12.023 34 HG21 THR 8 1HG2 THR 8 4.988 6.528 -12.813 35 HG22 THR 8 2HG2 THR 8 5.803 5.214 -11.964 36 HG23 THR 8 3HG2 THR 8 5.617 6.786 -11.186 37 H VAL 9 H VAL 9 1.337 4.112 -10.711 38 HA VAL 9 HA VAL 9 1.169 2.952 -8.082 39 HB VAL 9 HB VAL 9 0.348 5.830 -8.484 40 HG11 VAL 9 1HG1 VAL 9 -0.670 5.792 -6.350 41 HG12 VAL 9 2HG1 VAL 9 -1.298 4.389 -7.215 42 HG13 VAL 9 3HG1 VAL 9 -0.039 4.184 -5.996 43 HG21 VAL 9 1HG2 VAL 9 2.422 4.487 -6.770 44 HG22 VAL 9 2HG2 VAL 9 2.653 5.751 -7.979 45 HG23 VAL 9 3HG2 VAL 9 1.843 6.124 -6.457 46 H LEU 10 H LEU 10 -0.745 1.944 -7.778 47 HA LEU 10 HA LEU 10 -2.670 2.078 -9.965 48 HB2 LEU 10 1HB LEU 10 -2.022 0.126 -7.822 49 HB3 LEU 10 2HB LEU 10 -3.667 0.140 -8.455 50 HG LEU 10 HG LEU 10 -2.338 0.007 -10.767 51 HD11 LEU 10 1HD1 LEU 10 -0.584 -1.633 -8.969 52 HD12 LEU 10 2HD1 LEU 10 -0.166 0.017 -9.428 53 HD13 LEU 10 3HD1 LEU 10 -0.351 -1.222 -10.668 54 HD21 LEU 10 1HD2 LEU 10 -4.079 -1.535 -9.783 55 HD22 LEU 10 2HD2 LEU 10 -2.745 -2.445 -9.071 56 HD23 LEU 10 3HD2 LEU 10 -2.875 -2.296 -10.824 57 H ALA 11 H ALA 11 -3.793 3.972 -9.570 58 HA ALA 11 HA ALA 11 -4.846 4.699 -7.042 59 HB1 ALA 11 1HB ALA 11 -4.660 6.508 -8.444 60 HB2 ALA 11 2HB ALA 11 -5.264 5.624 -9.846 61 HB3 ALA 11 3HB ALA 11 -6.380 6.151 -8.586 62 H LEU 12 H LEU 12 -6.090 3.155 -6.085 63 HA LEU 12 HA LEU 12 -8.217 1.853 -7.569 64 HB2 LEU 12 1HB LEU 12 -7.459 1.639 -4.659 65 HB3 LEU 12 2HB LEU 12 -8.612 0.611 -5.506 66 HG LEU 12 HG LEU 12 -5.690 0.759 -6.223 67 HD11 LEU 12 1HD1 LEU 12 -6.908 -1.489 -4.678 68 HD12 LEU 12 2HD1 LEU 12 -6.305 -0.061 -3.840 69 HD13 LEU 12 3HD1 LEU 12 -5.214 -1.023 -4.836 70 HD21 LEU 12 1HD2 LEU 12 -7.307 -0.052 -7.939 71 HD22 LEU 12 2HD2 LEU 12 -7.761 -1.345 -6.829 72 HD23 LEU 12 3HD2 LEU 12 -6.111 -1.252 -7.447 73 H THR 13 H THR 13 -10.434 1.876 -6.859 74 HA THR 13 HA THR 13 -11.185 4.300 -5.365 75 HB THR 13 HB THR 13 -13.061 4.679 -6.863 76 HG1 THR 13 1HG THR 13 -13.672 3.197 -8.250 77 HG21 THR 13 1HG2 THR 13 -10.933 4.381 -8.880 78 HG22 THR 13 2HG2 THR 13 -10.475 5.262 -7.424 79 HG23 THR 13 3HG2 THR 13 -11.843 5.811 -8.392 80 H GLU 14 H GLU 14 -13.521 4.212 -4.642 81 HA GLU 14 HA GLU 14 -13.931 1.985 -3.006 82 HB2 GLU 14 1HB GLU 14 -14.951 4.429 -2.991 83 HB3 GLU 14 2HB GLU 14 -16.266 3.641 -3.851 84 HG2 GLU 14 1HG GLU 14 -15.275 2.412 -1.334 85 HG3 GLU 14 2HG GLU 14 -16.275 3.859 -1.237 86 H ASN 15 H ASN 15 -14.411 2.292 -6.315 87 HA ASN 15 HA ASN 15 -16.545 0.301 -6.429 88 HB2 ASN 15 1HB ASN 15 -16.801 2.170 -7.938 89 HB3 ASN 15 2HB ASN 15 -15.181 1.923 -8.587 90 HD21 ASN 15 1HD2 ASN 15 -15.636 1.489 -10.660 91 HD22 ASN 15 2HD2 ASN 15 -16.598 0.157 -11.196 92 H ASN 16 H ASN 16 -13.131 0.693 -7.129 93 HA ASN 16 HA ASN 16 -12.966 -2.204 -7.614 94 HB2 ASN 16 1HB ASN 16 -11.032 -1.672 -9.169 95 HB3 ASN 16 2HB ASN 16 -12.633 -1.239 -9.762 96 HD21 ASN 16 1HD2 ASN 16 -9.723 0.028 -8.255 97 HD22 ASN 16 2HD2 ASN 16 -9.905 1.646 -8.835 98 H PHE 17 H PHE 17 -12.653 -0.993 -5.115 99 HA PHE 17 HA PHE 17 -9.772 -0.837 -4.658 100 HB2 PHE 17 1HB PHE 17 -10.941 0.894 -3.544 101 HB3 PHE 17 2HB PHE 17 -12.174 -0.213 -2.949 102 HD1 PHE 17 1HD PHE 17 -11.422 -2.007 -1.275 103 HD2 PHE 17 2HD PHE 17 -9.130 1.455 -2.212 104 HE1 PHE 17 1HE PHE 17 -10.175 -2.267 0.830 105 HE2 PHE 17 2HE PHE 17 -7.878 1.200 -0.109 106 HZ PHE 17 HZ PHE 17 -8.400 -0.664 1.415 107 H ASP 18 H ASP 18 -12.581 -2.780 -3.779 108 HA ASP 18 HA ASP 18 -11.018 -4.563 -2.126 109 HB2 ASP 18 1HB ASP 18 -13.262 -5.890 -2.217 110 HB3 ASP 18 2HB ASP 18 -13.189 -4.377 -1.318 111 H ASP 19 H ASP 19 -12.827 -4.853 -5.182 112 HA ASP 19 HA ASP 19 -12.233 -7.460 -5.828 113 HB2 ASP 19 1HB ASP 19 -13.735 -5.883 -7.100 114 HB3 ASP 19 2HB ASP 19 -12.288 -5.198 -7.831 115 H THR 20 H THR 20 -10.187 -4.630 -6.069 116 HA THR 20 HA THR 20 -8.153 -5.840 -7.654 117 HB THR 20 HB THR 20 -8.013 -3.433 -5.828 118 HG1 THR 20 1HG THR 20 -9.435 -3.150 -7.585 119 HG21 THR 20 1HG2 THR 20 -5.878 -3.052 -6.479 120 HG22 THR 20 2HG2 THR 20 -6.137 -3.725 -8.089 121 HG23 THR 20 3HG2 THR 20 -5.863 -4.798 -6.717 122 H ILE 21 H ILE 21 -7.969 -4.770 -4.255 123 HA ILE 21 HA ILE 21 -5.671 -6.031 -3.509 124 HB ILE 21 HB ILE 21 -6.580 -6.143 -1.204 125 HG12 ILE 21 1HG1 ILE 21 -9.132 -5.137 -2.478 126 HG13 ILE 21 2HG1 ILE 21 -8.898 -6.761 -1.841 127 HG21 ILE 21 1HG2 ILE 21 -5.614 -4.073 -2.131 128 HG22 ILE 21 2HG2 ILE 21 -7.228 -3.569 -2.631 129 HG23 ILE 21 3HG2 ILE 21 -6.855 -3.757 -0.918 130 HD11 ILE 21 1HD1 ILE 21 -10.049 -5.605 -0.172 131 HD12 ILE 21 2HD1 ILE 21 -8.372 -5.634 0.376 132 HD13 ILE 21 3HD1 ILE 21 -9.038 -4.170 -0.347 133 H ALA 22 H ALA 22 -8.784 -7.481 -4.079 134 HA ALA 22 HA ALA 22 -8.502 -9.903 -2.737 135 HB1 ALA 22 1HB ALA 22 -10.170 -8.854 -4.885 136 HB2 ALA 22 2HB ALA 22 -9.880 -10.590 -5.011 137 HB3 ALA 22 3HB ALA 22 -10.587 -9.918 -3.541 138 H GLU 23 H GLU 23 -7.307 -8.901 -5.904 139 HA GLU 23 HA GLU 23 -6.299 -11.505 -6.573 140 HB2 GLU 23 1HB GLU 23 -5.891 -8.778 -7.800 141 HB3 GLU 23 2HB GLU 23 -5.152 -10.240 -8.439 142 HG2 GLU 23 1HG GLU 23 -7.589 -11.137 -8.477 143 HG3 GLU 23 2HG GLU 23 -8.021 -9.429 -8.407 144 H GLY 24 H GLY 24 -4.475 -12.385 -5.867 145 HA2 GLY 24 1HA GLY 24 -2.525 -12.566 -4.626 146 HA3 GLY 24 2HA GLY 24 -1.957 -11.427 -5.838 147 H ILE 25 H ILE 25 -0.508 -10.650 -4.178 148 HA ILE 25 HA ILE 25 -1.633 -9.327 -1.871 149 HB ILE 25 HB ILE 25 1.197 -9.347 -2.927 150 HG12 ILE 25 1HG1 ILE 25 0.116 -10.789 -0.510 151 HG13 ILE 25 2HG1 ILE 25 0.140 -11.531 -2.106 152 HG21 ILE 25 1HG2 ILE 25 0.296 -8.519 -0.181 153 HG22 ILE 25 2HG2 ILE 25 1.886 -8.320 -0.916 154 HG23 ILE 25 3HG2 ILE 25 0.520 -7.369 -1.499 155 HD11 ILE 25 1HD1 ILE 25 2.714 -10.436 -1.510 156 HD12 ILE 25 2HD1 ILE 25 2.184 -11.493 -0.201 157 HD13 ILE 25 3HD1 ILE 25 2.256 -12.103 -1.853 158 H THR 26 H THR 26 -2.060 -7.211 -1.630 159 HA THR 26 HA THR 26 -1.186 -5.349 -3.731 160 HB THR 26 HB THR 26 -3.981 -5.426 -2.579 161 HG1 THR 26 1HG THR 26 -3.579 -7.100 -4.115 162 HG21 THR 26 1HG2 THR 26 -2.490 -3.361 -3.891 163 HG22 THR 26 2HG2 THR 26 -4.146 -3.319 -3.286 164 HG23 THR 26 3HG2 THR 26 -3.821 -3.871 -4.929 165 H PHE 27 H PHE 27 0.079 -3.924 -2.738 166 HA PHE 27 HA PHE 27 -0.404 -3.216 0.044 167 HB2 PHE 27 1HB PHE 27 1.905 -3.707 -1.142 168 HB3 PHE 27 2HB PHE 27 1.798 -2.004 -1.575 169 HD1 PHE 27 1HD PHE 27 0.801 -3.784 1.538 170 HD2 PHE 27 2HD PHE 27 3.344 -0.892 -0.274 171 HE1 PHE 27 1HE PHE 27 1.678 -3.172 3.755 172 HE2 PHE 27 2HE PHE 27 4.226 -0.276 1.940 173 HZ PHE 27 HZ PHE 27 3.393 -1.417 3.957 174 H ILE 28 H ILE 28 -1.828 -1.656 0.428 175 HA ILE 28 HA ILE 28 -2.131 0.529 -1.500 176 HB ILE 28 HB ILE 28 -3.858 -0.228 0.860 177 HG12 ILE 28 1HG1 ILE 28 -4.501 -0.441 -2.082 178 HG13 ILE 28 2HG1 ILE 28 -3.825 -1.776 -1.154 179 HG21 ILE 28 1HG2 ILE 28 -5.380 1.384 -0.711 180 HG22 ILE 28 2HG2 ILE 28 -4.496 1.919 0.717 181 HG23 ILE 28 3HG2 ILE 28 -3.791 2.129 -0.885 182 HD11 ILE 28 1HD1 ILE 28 -6.374 -0.392 -0.386 183 HD12 ILE 28 2HD1 ILE 28 -6.320 -1.783 -1.469 184 HD13 ILE 28 3HD1 ILE 28 -5.750 -1.937 0.192 185 H LYS 29 H LYS 29 -1.969 2.691 -0.913 186 HA LYS 29 HA LYS 29 -0.726 3.213 1.708 187 HB2 LYS 29 1HB LYS 29 0.900 3.341 -0.169 188 HB3 LYS 29 2HB LYS 29 -0.080 4.607 -0.897 189 HG2 LYS 29 1HG LYS 29 0.811 5.008 1.901 190 HG3 LYS 29 2HG LYS 29 2.025 5.133 0.624 191 HD2 LYS 29 1HD LYS 29 -0.593 6.623 0.565 192 HD3 LYS 29 2HD LYS 29 0.884 7.290 1.267 193 HE2 LYS 29 1HE LYS 29 1.022 6.181 -1.486 194 HE3 LYS 29 2HE LYS 29 0.201 7.725 -1.258 195 HZ1 LYS 29 1HZ LYS 29 2.713 7.584 0.114 196 HZ2 LYS 29 2HZ LYS 29 2.127 8.766 -0.944 197 HZ3 LYS 29 3HZ LYS 29 2.878 7.380 -1.557 198 H PHE 30 H PHE 30 -2.246 4.211 2.873 199 HA PHE 30 HA PHE 30 -4.122 6.035 1.618 200 HB2 PHE 30 1HB PHE 30 -3.903 5.404 4.560 201 HB3 PHE 30 2HB PHE 30 -5.302 6.022 3.688 202 HD1 PHE 30 1HD PHE 30 -3.142 3.056 4.131 203 HD2 PHE 30 2HD PHE 30 -6.850 4.567 2.691 204 HE1 PHE 30 1HE PHE 30 -3.952 0.754 3.815 205 HE2 PHE 30 2HE PHE 30 -7.668 2.268 2.373 206 HZ PHE 30 HZ PHE 30 -6.218 0.358 2.936 207 H TYR 31 H TYR 31 -3.193 7.940 1.104 208 HA TYR 31 HA TYR 31 -1.715 9.352 3.225 209 HB2 TYR 31 1HB TYR 31 -0.438 10.463 1.575 210 HB3 TYR 31 2HB TYR 31 -0.502 8.784 1.051 211 HD1 TYR 31 2HD TYR 31 -1.656 12.195 0.362 212 HD2 TYR 31 1HD TYR 31 -1.725 8.144 -0.938 213 HE1 TYR 31 2HE TYR 31 -2.542 12.916 -1.816 214 HE2 TYR 31 1HE TYR 31 -2.609 8.854 -3.120 215 HH TYR 31 HH TYR 31 -4.083 11.276 -3.808 216 H ALA 32 H ALA 32 -1.822 11.837 2.830 217 HA ALA 32 HA ALA 32 -4.566 12.613 2.109 218 HB1 ALA 32 1HB ALA 32 -3.617 14.235 4.271 219 HB2 ALA 32 2HB ALA 32 -5.065 13.233 4.179 220 HB3 ALA 32 3HB ALA 32 -3.541 12.532 4.723 221 HA PRO 33 HA PRO 33 -2.401 15.652 -0.278 222 HB2 PRO 33 1HB PRO 33 -4.568 17.128 -0.982 223 HB3 PRO 33 2HB PRO 33 -4.193 15.563 -1.713 224 HG2 PRO 33 1HG PRO 33 -6.138 16.220 0.465 225 HG3 PRO 33 2HG PRO 33 -6.341 15.141 -0.927 226 HD2 PRO 33 1HD PRO 33 -5.776 14.223 1.558 227 HD3 PRO 33 2HD PRO 33 -5.198 13.414 0.087 228 H TRP 34 H TRP 34 -3.718 16.076 2.726 229 HA TRP 34 HA TRP 34 -3.024 18.941 2.770 230 HB2 TRP 34 1HB TRP 34 -4.507 19.041 4.815 231 HB3 TRP 34 2HB TRP 34 -5.341 18.741 3.293 232 HD1 TRP 34 HD TRP 34 -6.621 16.459 3.029 233 HE1 TRP 34 1HE TRP 34 -7.188 14.552 4.662 234 HE3 TRP 34 3HE TRP 34 -3.528 17.751 6.889 235 HZ2 TRP 34 2HZ TRP 34 -6.426 13.708 7.246 236 HZ3 TRP 34 3HZ TRP 34 -3.507 16.341 8.906 237 HH2 TRP 34 HH TRP 34 -4.927 14.362 9.079 238 H CYS 35 H CYS 35 -1.627 16.171 3.360 239 HA CYS 35 HA CYS 35 -0.561 16.884 6.004 240 HB2 CYS 35 1HB CYS 35 -1.526 14.529 5.402 241 HB3 CYS 35 2HB CYS 35 0.032 14.291 4.619 242 HG CYS 35 HG CYS 35 0.446 15.475 7.676 243 H GLY 36 H GLY 36 1.732 16.781 6.361 244 HA2 GLY 36 1HA GLY 36 3.213 17.737 4.033 245 HA3 GLY 36 2HA GLY 36 3.725 17.852 5.709 246 H HIS 37 H HIS 37 4.024 15.561 6.740 247 HA HIS 37 HA HIS 37 6.265 14.384 5.869 248 HB2 HIS 37 1HB HIS 37 3.885 13.191 7.252 249 HB3 HIS 37 2HB HIS 37 5.263 12.177 6.835 250 HD1 HIS 37 1HD HIS 37 6.560 11.830 8.906 251 HD2 HIS 37 2HD HIS 37 5.226 15.750 8.560 252 HE1 HIS 37 1HE HIS 37 7.531 13.047 10.882 253 HE2 HIS 37 2HE HIS 37 6.640 15.396 10.699 254 H CYS 38 H CYS 38 3.025 13.645 4.673 255 HA CYS 38 HA CYS 38 3.489 11.434 3.123 256 HB2 CYS 38 1HB CYS 38 1.264 12.248 3.285 257 HB3 CYS 38 2HB CYS 38 1.712 13.820 2.633 258 HG CYS 38 HG CYS 38 0.250 12.732 0.632 259 H LYS 39 H LYS 39 3.919 14.826 2.131 260 HA LYS 39 HA LYS 39 4.677 14.600 -0.453 261 HB2 LYS 39 1HB LYS 39 5.649 16.366 1.755 262 HB3 LYS 39 2HB LYS 39 6.455 16.439 0.194 263 HG2 LYS 39 1HG LYS 39 4.839 18.125 0.126 264 HG3 LYS 39 2HG LYS 39 4.146 16.797 -0.807 265 HD2 LYS 39 1HD LYS 39 2.798 16.128 1.097 266 HD3 LYS 39 2HD LYS 39 3.538 17.387 2.090 267 HE2 LYS 39 1HE LYS 39 1.948 17.904 -0.420 268 HE3 LYS 39 2HE LYS 39 1.284 17.978 1.212 269 HZ1 LYS 39 1HZ LYS 39 1.825 20.161 0.781 270 HZ2 LYS 39 2HZ LYS 39 3.230 19.772 -0.078 271 HZ3 LYS 39 3HZ LYS 39 3.204 19.632 1.607 272 H THR 40 H THR 40 6.576 13.676 2.347 273 HA THR 40 HA THR 40 9.010 13.231 0.929 274 HB THR 40 HB THR 40 8.084 12.195 3.615 275 HG1 THR 40 1HG THR 40 10.015 13.885 3.935 276 HG21 THR 40 1HG2 THR 40 10.326 11.508 4.044 277 HG22 THR 40 2HG2 THR 40 10.900 12.226 2.539 278 HG23 THR 40 3HG2 THR 40 9.861 10.802 2.497 279 H LEU 41 H LEU 41 6.272 11.209 1.843 280 HA LEU 41 HA LEU 41 7.518 8.804 0.829 281 HB2 LEU 41 1HB LEU 41 5.987 8.801 2.779 282 HB3 LEU 41 2HB LEU 41 4.671 9.265 1.703 283 HG LEU 41 HG LEU 41 5.043 7.118 0.465 284 HD11 LEU 41 1HD1 LEU 41 6.558 6.155 2.851 285 HD12 LEU 41 2HD1 LEU 41 7.415 6.930 1.519 286 HD13 LEU 41 3HD1 LEU 41 6.465 5.472 1.227 287 HD21 LEU 41 1HD2 LEU 41 4.094 5.703 2.374 288 HD22 LEU 41 2HD2 LEU 41 3.198 7.146 1.901 289 HD23 LEU 41 3HD2 LEU 41 4.208 7.168 3.347 290 H ALA 42 H ALA 42 5.579 11.348 -0.390 291 HA ALA 42 HA ALA 42 4.001 10.324 -2.331 292 HB1 ALA 42 1HB ALA 42 5.558 12.790 -2.056 293 HB2 ALA 42 2HB ALA 42 5.137 12.371 -3.717 294 HB3 ALA 42 3HB ALA 42 3.869 12.556 -2.506 295 HA PRO 43 HA PRO 43 7.646 9.832 -5.455 296 HB2 PRO 43 1HB PRO 43 10.169 10.150 -4.503 297 HB3 PRO 43 2HB PRO 43 9.209 11.488 -5.147 298 HG2 PRO 43 1HG PRO 43 9.681 10.694 -2.299 299 HG3 PRO 43 2HG PRO 43 9.680 12.312 -3.024 300 HD2 PRO 43 1HD PRO 43 7.567 11.335 -1.643 301 HD3 PRO 43 2HD PRO 43 7.380 12.459 -3.005 302 H THR 44 H THR 44 8.650 8.924 -2.161 303 HA THR 44 HA THR 44 10.055 6.620 -2.697 304 HB THR 44 HB THR 44 8.186 7.084 -0.364 305 HG1 THR 44 1HG THR 44 9.665 8.503 0.147 306 HG21 THR 44 1HG2 THR 44 8.642 4.878 -0.053 307 HG22 THR 44 2HG2 THR 44 10.130 5.534 0.633 308 HG23 THR 44 3HG2 THR 44 10.111 4.933 -1.026 309 H TRP 45 H TRP 45 6.563 6.835 -1.999 310 HA TRP 45 HA TRP 45 5.849 4.209 -2.241 311 HB2 TRP 45 1HB TRP 45 4.338 6.149 -1.685 312 HB3 TRP 45 2HB TRP 45 4.234 6.479 -3.411 313 HD1 TRP 45 HD TRP 45 2.118 5.513 -4.451 314 HE1 TRP 45 1HE TRP 45 0.593 3.485 -4.013 315 HE3 TRP 45 3HE TRP 45 4.628 3.449 -0.504 316 HZ2 TRP 45 2HZ TRP 45 0.471 1.301 -2.229 317 HZ3 TRP 45 3HZ TRP 45 3.740 1.390 0.511 318 HH2 TRP 45 HH TRP 45 1.704 0.340 -0.335 319 H GLU 46 H GLU 46 5.814 6.555 -4.934 320 HA GLU 46 HA GLU 46 5.143 4.940 -7.013 321 HB2 GLU 46 1HB GLU 46 7.136 7.192 -6.886 322 HB3 GLU 46 2HB GLU 46 6.751 6.383 -8.400 323 HG2 GLU 46 1HG GLU 46 4.595 7.198 -8.444 324 HG3 GLU 46 2HG GLU 46 4.555 7.479 -6.704 325 H GLU 47 H GLU 47 8.495 5.486 -5.920 326 HA GLU 47 HA GLU 47 9.831 3.793 -7.602 327 HB2 GLU 47 1HB GLU 47 10.375 4.196 -4.655 328 HB3 GLU 47 2HB GLU 47 11.517 3.538 -5.819 329 HG2 GLU 47 1HG GLU 47 10.314 6.246 -6.218 330 HG3 GLU 47 2HG GLU 47 11.700 6.014 -5.153 331 H LEU 48 H LEU 48 8.134 2.937 -4.616 332 HA LEU 48 HA LEU 48 8.865 0.280 -4.391 333 HB2 LEU 48 1HB LEU 48 7.461 1.671 -2.810 334 HB3 LEU 48 2HB LEU 48 6.089 1.307 -3.855 335 HG LEU 48 HG LEU 48 6.430 -1.103 -3.383 336 HD11 LEU 48 1HD1 LEU 48 8.640 -0.003 -1.694 337 HD12 LEU 48 2HD1 LEU 48 8.660 -1.366 -2.813 338 HD13 LEU 48 3HD1 LEU 48 7.839 -1.512 -1.258 339 HD21 LEU 48 1HD2 LEU 48 5.954 -0.705 -0.768 340 HD22 LEU 48 2HD2 LEU 48 4.758 -0.413 -2.031 341 HD23 LEU 48 3HD2 LEU 48 5.694 0.930 -1.376 342 H SER 49 H SER 49 6.076 1.619 -6.155 343 HA SER 49 HA SER 49 4.897 -0.632 -7.115 344 HB2 SER 49 1HB SER 49 4.033 0.665 -8.922 345 HB3 SER 49 2HB SER 49 4.235 1.777 -7.569 346 HG SER 49 HG SER 49 5.332 2.893 -8.977 347 H LYS 50 H LYS 50 7.825 0.898 -8.364 348 HA LYS 50 HA LYS 50 8.127 -0.868 -10.579 349 HB2 LYS 50 1HB LYS 50 10.185 0.857 -9.187 350 HB3 LYS 50 2HB LYS 50 10.388 0.087 -10.755 351 HG2 LYS 50 1HG LYS 50 8.866 1.508 -11.791 352 HG3 LYS 50 2HG LYS 50 8.137 1.996 -10.258 353 HD2 LYS 50 1HD LYS 50 10.328 3.076 -9.675 354 HD3 LYS 50 2HD LYS 50 10.850 2.756 -11.330 355 HE2 LYS 50 1HE LYS 50 8.252 4.142 -10.918 356 HE3 LYS 50 2HE LYS 50 9.733 5.054 -10.631 357 HZ1 LYS 50 1HZ LYS 50 10.382 4.849 -12.826 358 HZ2 LYS 50 2HZ LYS 50 8.711 5.067 -12.968 359 HZ3 LYS 50 3HZ LYS 50 9.378 3.521 -13.125 360 H LYS 51 H LYS 51 9.510 -0.747 -7.320 361 HA LYS 51 HA LYS 51 11.398 -2.711 -7.416 362 HB2 LYS 51 1HB LYS 51 9.381 -2.256 -5.210 363 HB3 LYS 51 2HB LYS 51 10.871 -3.176 -5.039 364 HG2 LYS 51 1HG LYS 51 10.766 -0.269 -5.810 365 HG3 LYS 51 2HG LYS 51 10.986 -0.855 -4.159 366 HD2 LYS 51 1HD LYS 51 12.793 -1.609 -6.449 367 HD3 LYS 51 2HD LYS 51 13.102 -0.246 -5.372 368 HE2 LYS 51 1HE LYS 51 12.805 -2.033 -3.494 369 HE3 LYS 51 2HE LYS 51 13.146 -3.178 -4.791 370 HZ1 LYS 51 1HZ LYS 51 15.291 -2.620 -4.810 371 HZ2 LYS 51 2HZ LYS 51 15.009 -1.920 -3.296 372 HZ3 LYS 51 3HZ LYS 51 14.979 -0.962 -4.690 373 H GLU 52 H GLU 52 11.477 -4.888 -7.558 374 HA GLU 52 HA GLU 52 8.926 -6.275 -8.004 375 HB2 GLU 52 1HB GLU 52 11.669 -6.586 -9.096 376 HB3 GLU 52 2HB GLU 52 10.733 -8.057 -8.873 377 HG2 GLU 52 1HG GLU 52 9.439 -5.774 -10.259 378 HG3 GLU 52 2HG GLU 52 10.672 -6.688 -11.125 379 H PHE 53 H PHE 53 8.424 -8.169 -6.941 380 HA PHE 53 HA PHE 53 10.064 -8.736 -4.567 381 HB2 PHE 53 1HB PHE 53 7.169 -9.483 -4.998 382 HB3 PHE 53 2HB PHE 53 8.076 -9.539 -3.489 383 HD1 PHE 53 1HD PHE 53 6.675 -7.252 -6.036 384 HD2 PHE 53 2HD PHE 53 8.206 -7.665 -2.086 385 HE1 PHE 53 1HE PHE 53 5.929 -4.967 -5.512 386 HE2 PHE 53 2HE PHE 53 7.460 -5.381 -1.555 387 HZ PHE 53 HZ PHE 53 6.319 -4.029 -3.269 388 HA PRO 54 HA PRO 54 10.896 -12.455 -7.040 389 HB2 PRO 54 1HB PRO 54 13.184 -13.074 -5.715 390 HB3 PRO 54 2HB PRO 54 13.121 -11.884 -7.021 391 HG2 PRO 54 1HG PRO 54 13.118 -11.447 -4.059 392 HG3 PRO 54 2HG PRO 54 14.007 -10.571 -5.318 393 HD2 PRO 54 1HD PRO 54 11.731 -9.614 -4.209 394 HD3 PRO 54 2HD PRO 54 12.179 -9.292 -5.896 395 H GLY 55 H GLY 55 9.667 -14.157 -6.520 396 HA2 GLY 55 1HA GLY 55 9.460 -16.211 -5.306 397 HA3 GLY 55 2HA GLY 55 10.050 -15.382 -3.874 398 H LEU 56 H LEU 56 8.345 -13.085 -4.124 399 HA LEU 56 HA LEU 56 5.945 -14.232 -2.980 400 HB2 LEU 56 1HB LEU 56 6.801 -11.365 -3.344 401 HB3 LEU 56 2HB LEU 56 5.359 -11.889 -2.477 402 HG LEU 56 HG LEU 56 8.217 -12.445 -1.686 403 HD11 LEU 56 1HD1 LEU 56 6.196 -10.422 -0.887 404 HD12 LEU 56 2HD1 LEU 56 7.947 -10.278 -1.037 405 HD13 LEU 56 3HD1 LEU 56 7.245 -11.091 0.362 406 HD21 LEU 56 1HD2 LEU 56 5.600 -13.256 -0.433 407 HD22 LEU 56 2HD2 LEU 56 7.154 -13.320 0.400 408 HD23 LEU 56 3HD2 LEU 56 6.880 -14.312 -1.033 409 H ALA 57 H ALA 57 3.807 -13.678 -3.655 410 HA ALA 57 HA ALA 57 3.354 -13.934 -6.405 411 HB1 ALA 57 1HB ALA 57 1.795 -13.911 -4.053 412 HB2 ALA 57 2HB ALA 57 1.079 -12.743 -5.163 413 HB3 ALA 57 3HB ALA 57 1.316 -14.414 -5.674 414 H GLY 58 H GLY 58 2.261 -12.436 -7.853 415 HA2 GLY 58 1HA GLY 58 3.581 -10.066 -8.267 416 HA3 GLY 58 2HA GLY 58 1.966 -10.395 -8.875 417 H VAL 59 H VAL 59 3.853 -8.728 -6.517 418 HA VAL 59 HA VAL 59 1.629 -7.874 -4.907 419 HB VAL 59 HB VAL 59 4.508 -6.984 -5.028 420 HG11 VAL 59 1HG1 VAL 59 4.100 -5.595 -3.097 421 HG12 VAL 59 2HG1 VAL 59 3.033 -5.094 -4.412 422 HG13 VAL 59 3HG1 VAL 59 2.399 -6.062 -3.079 423 HG21 VAL 59 1HG2 VAL 59 3.269 -9.172 -3.833 424 HG22 VAL 59 2HG2 VAL 59 4.891 -8.562 -3.503 425 HG23 VAL 59 3HG2 VAL 59 3.531 -8.027 -2.517 426 H LYS 60 H LYS 60 0.289 -6.247 -5.308 427 HA LYS 60 HA LYS 60 0.954 -4.382 -7.475 428 HB2 LYS 60 1HB LYS 60 -1.681 -5.149 -6.214 429 HB3 LYS 60 2HB LYS 60 -1.513 -3.847 -7.384 430 HG2 LYS 60 1HG LYS 60 -1.013 -5.302 -9.122 431 HG3 LYS 60 2HG LYS 60 -0.558 -6.609 -8.026 432 HD2 LYS 60 1HD LYS 60 -3.363 -5.543 -8.134 433 HD3 LYS 60 2HD LYS 60 -2.805 -6.800 -9.240 434 HE2 LYS 60 1HE LYS 60 -2.460 -7.062 -6.272 435 HE3 LYS 60 2HE LYS 60 -3.971 -7.515 -7.061 436 HZ1 LYS 60 1HZ LYS 60 -2.804 -9.104 -8.397 437 HZ2 LYS 60 2HZ LYS 60 -2.420 -9.387 -6.775 438 HZ3 LYS 60 3HZ LYS 60 -1.307 -8.609 -7.784 439 H ILE 61 H ILE 61 1.136 -2.232 -7.147 440 HA ILE 61 HA ILE 61 0.863 -1.285 -4.375 441 HB ILE 61 HB ILE 61 2.535 -0.159 -6.624 442 HG12 ILE 61 1HG1 ILE 61 3.504 -2.200 -5.787 443 HG13 ILE 61 2HG1 ILE 61 4.432 -0.850 -5.144 444 HG21 ILE 61 1HG2 ILE 61 1.468 1.257 -4.560 445 HG22 ILE 61 2HG2 ILE 61 3.018 0.758 -3.884 446 HG23 ILE 61 3HG2 ILE 61 2.967 1.667 -5.394 447 HD11 ILE 61 1HD1 ILE 61 2.536 -2.675 -3.734 448 HD12 ILE 61 2HD1 ILE 61 4.200 -2.254 -3.326 449 HD13 ILE 61 3HD1 ILE 61 2.909 -1.078 -3.082 450 H ALA 62 H ALA 62 -0.941 -0.181 -4.020 451 HA ALA 62 HA ALA 62 -1.912 1.636 -6.128 452 HB1 ALA 62 1HB ALA 62 -3.549 -0.020 -6.029 453 HB2 ALA 62 2HB ALA 62 -3.440 -0.156 -4.273 454 HB3 ALA 62 3HB ALA 62 -4.190 1.264 -5.004 455 H GLU 63 H GLU 63 -3.631 3.203 -4.965 456 HA GLU 63 HA GLU 63 -2.643 4.121 -2.387 457 HB2 GLU 63 1HB GLU 63 -1.969 6.252 -3.060 458 HB3 GLU 63 2HB GLU 63 -1.307 5.205 -4.308 459 HG2 GLU 63 1HG GLU 63 -2.954 5.841 -5.862 460 HG3 GLU 63 2HG GLU 63 -3.948 6.594 -4.617 461 H VAL 64 H VAL 64 -3.971 5.978 -1.563 462 HA VAL 64 HA VAL 64 -6.567 6.370 -2.763 463 HB VAL 64 HB VAL 64 -6.318 4.886 -0.145 464 HG11 VAL 64 1HG1 VAL 64 -8.030 6.561 0.095 465 HG12 VAL 64 2HG1 VAL 64 -8.743 6.108 -1.454 466 HG13 VAL 64 3HG1 VAL 64 -8.794 4.983 -0.096 467 HG21 VAL 64 1HG2 VAL 64 -6.149 3.382 -1.982 468 HG22 VAL 64 2HG2 VAL 64 -7.789 3.243 -1.348 469 HG23 VAL 64 3HG2 VAL 64 -7.488 4.161 -2.824 470 H ASP 65 H ASP 65 -7.327 8.335 -2.268 471 HA ASP 65 HA ASP 65 -5.813 9.990 -0.446 472 HB2 ASP 65 1HB ASP 65 -8.219 10.651 -2.158 473 HB3 ASP 65 2HB ASP 65 -7.236 11.819 -1.279 474 H CYS 66 H CYS 66 -6.357 10.518 1.572 475 HA CYS 66 HA CYS 66 -8.753 9.367 2.721 476 HB2 CYS 66 1HB CYS 66 -6.330 10.749 3.840 477 HB3 CYS 66 2HB CYS 66 -7.752 10.482 4.842 478 H THR 67 H THR 67 -9.133 11.494 0.819 479 HA THR 67 HA THR 67 -10.508 13.422 2.565 480 HB THR 67 HB THR 67 -10.059 15.158 0.759 481 HG1 THR 67 1HG THR 67 -7.778 13.681 0.072 482 HG21 THR 67 1HG2 THR 67 -7.760 14.067 2.385 483 HG22 THR 67 2HG2 THR 67 -8.933 15.282 2.893 484 HG23 THR 67 3HG2 THR 67 -7.777 15.652 1.614 485 H ALA 68 H ALA 68 -10.396 11.661 -0.456 486 HA ALA 68 HA ALA 68 -13.148 12.515 -1.053 487 HB1 ALA 68 1HB ALA 68 -12.152 11.069 -3.235 488 HB2 ALA 68 2HB ALA 68 -12.397 12.813 -3.120 489 HB3 ALA 68 3HB ALA 68 -10.833 12.112 -2.703 490 H GLU 69 H GLU 69 -11.057 9.718 -0.612 491 HA GLU 69 HA GLU 69 -13.388 7.945 -0.821 492 HB2 GLU 69 1HB GLU 69 -10.425 7.456 -0.998 493 HB3 GLU 69 2HB GLU 69 -11.559 6.137 -0.741 494 HG2 GLU 69 1HG GLU 69 -12.656 6.603 -2.826 495 HG3 GLU 69 2HG GLU 69 -11.667 8.043 -3.067 496 H ARG 70 H ARG 70 -12.875 9.675 1.475 497 HA ARG 70 HA ARG 70 -11.701 8.653 3.675 498 HB2 ARG 70 1HB ARG 70 -14.465 9.860 3.495 499 HB3 ARG 70 2HB ARG 70 -13.610 9.589 5.008 500 HG2 ARG 70 1HG ARG 70 -12.145 11.294 4.651 501 HG3 ARG 70 2HG ARG 70 -12.224 11.143 2.895 502 HD2 ARG 70 1HD ARG 70 -13.312 13.168 3.402 503 HD3 ARG 70 2HD ARG 70 -14.600 12.011 3.073 504 HE ARG 70 HE ARG 70 -15.254 12.142 5.279 505 HH11 ARG 70 2HH1 ARG 70 -12.194 13.745 4.847 506 HH12 ARG 70 1HH1 ARG 70 -12.207 14.476 6.418 507 HH21 ARG 70 2HH2 ARG 70 -15.283 13.099 7.349 508 HH22 ARG 70 1HH2 ARG 70 -13.965 14.107 7.840 509 H ASN 71 H ASN 71 -14.945 7.702 2.548 510 HA ASN 71 HA ASN 71 -15.826 5.961 4.353 511 HB2 ASN 71 1HB ASN 71 -15.795 5.799 1.370 512 HB3 ASN 71 2HB ASN 71 -16.397 4.416 2.281 513 HD21 ASN 71 1HD2 ASN 71 -17.390 6.997 0.667 514 HD22 ASN 71 2HD2 ASN 71 -18.834 7.389 1.531 515 H ILE 72 H ILE 72 -13.139 5.312 2.157 516 HA ILE 72 HA ILE 72 -12.749 2.638 3.163 517 HB ILE 72 HB ILE 72 -10.973 4.306 1.377 518 HG12 ILE 72 1HG1 ILE 72 -12.828 2.054 0.596 519 HG13 ILE 72 2HG1 ILE 72 -13.295 3.749 0.524 520 HG21 ILE 72 1HG2 ILE 72 -10.502 1.841 2.715 521 HG22 ILE 72 2HG2 ILE 72 -10.619 1.527 0.985 522 HG23 ILE 72 3HG2 ILE 72 -9.454 2.704 1.591 523 HD11 ILE 72 1HD1 ILE 72 -11.341 4.117 -0.999 524 HD12 ILE 72 2HD1 ILE 72 -11.150 2.364 -1.054 525 HD13 ILE 72 3HD1 ILE 72 -12.633 3.109 -1.650 526 H CYS 73 H CYS 73 -10.976 5.717 3.349 527 HA CYS 73 HA CYS 73 -8.873 4.844 4.961 528 HB2 CYS 73 1HB CYS 73 -10.129 7.491 4.394 529 HB3 CYS 73 2HB CYS 73 -9.003 7.379 5.742 530 H SER 74 H SER 74 -11.822 6.577 5.982 531 HA SER 74 HA SER 74 -11.442 6.498 8.706 532 HB2 SER 74 1HB SER 74 -13.884 6.540 6.976 533 HB3 SER 74 2HB SER 74 -14.077 6.316 8.714 534 HG SER 74 HG SER 74 -12.626 8.258 8.828 535 H LYS 75 H LYS 75 -12.794 3.997 6.610 536 HA LYS 75 HA LYS 75 -13.671 2.216 8.570 537 HB2 LYS 75 1HB LYS 75 -14.299 1.847 6.294 538 HB3 LYS 75 2HB LYS 75 -12.619 1.748 5.780 539 HG2 LYS 75 1HG LYS 75 -12.607 -0.274 7.494 540 HG3 LYS 75 2HG LYS 75 -14.327 -0.282 7.100 541 HD2 LYS 75 1HD LYS 75 -12.376 -0.105 4.862 542 HD3 LYS 75 2HD LYS 75 -12.563 -1.657 5.681 543 HE2 LYS 75 1HE LYS 75 -14.866 -0.060 4.575 544 HE3 LYS 75 2HE LYS 75 -14.032 -1.324 3.672 545 HZ1 LYS 75 1HZ LYS 75 -15.204 -2.865 4.718 546 HZ2 LYS 75 2HZ LYS 75 -16.132 -1.644 5.430 547 HZ3 LYS 75 3HZ LYS 75 -14.780 -2.261 6.240 548 H TYR 76 H TYR 76 -10.467 2.841 7.316 549 HA TYR 76 HA TYR 76 -9.353 0.591 8.806 550 HB2 TYR 76 1HB TYR 76 -8.181 2.520 6.808 551 HB3 TYR 76 2HB TYR 76 -7.185 1.401 7.731 552 HD1 TYR 76 1HD TYR 76 -7.855 -1.114 7.579 553 HD2 TYR 76 2HD TYR 76 -9.073 1.844 4.774 554 HE1 TYR 76 1HE TYR 76 -8.286 -2.876 5.917 555 HE2 TYR 76 2HE TYR 76 -9.508 0.091 3.105 556 HH TYR 76 HH TYR 76 -9.499 -3.265 3.919 557 H SER 77 H SER 77 -10.510 3.020 10.083 558 HA SER 77 HA SER 77 -9.988 4.644 11.626 559 HB2 SER 77 1HB SER 77 -9.869 2.490 12.875 560 HB3 SER 77 2HB SER 77 -8.134 2.445 12.571 561 HG SER 77 HG SER 77 -9.594 4.018 14.324 562 H VAL 78 H VAL 78 -8.494 4.990 9.254 563 HA VAL 78 HA VAL 78 -5.732 5.409 9.830 564 HB VAL 78 HB VAL 78 -7.434 6.512 7.591 565 HG11 VAL 78 1HG1 VAL 78 -4.730 7.093 8.391 566 HG12 VAL 78 2HG1 VAL 78 -4.762 6.353 6.789 567 HG13 VAL 78 3HG1 VAL 78 -5.698 7.813 7.105 568 HG21 VAL 78 1HG2 VAL 78 -6.650 3.902 8.077 569 HG22 VAL 78 2HG2 VAL 78 -7.188 4.564 6.533 570 HG23 VAL 78 3HG2 VAL 78 -5.467 4.494 6.912 571 H ARG 79 H ARG 79 -5.392 6.758 11.539 572 HA ARG 79 HA ARG 79 -6.556 9.457 11.381 573 HB2 ARG 79 1HB ARG 79 -6.082 9.633 13.790 574 HB3 ARG 79 2HB ARG 79 -7.139 8.275 13.429 575 HG2 ARG 79 1HG ARG 79 -5.403 6.709 13.770 576 HG3 ARG 79 2HG ARG 79 -4.171 7.972 13.781 577 HD2 ARG 79 1HD ARG 79 -5.213 8.893 15.838 578 HD3 ARG 79 2HD ARG 79 -6.322 7.523 15.846 579 HE ARG 79 HE ARG 79 -3.562 6.745 15.779 580 HH11 ARG 79 2HH1 ARG 79 -6.205 7.696 17.837 581 HH12 ARG 79 1HH1 ARG 79 -5.568 6.904 19.240 582 HH21 ARG 79 2HH2 ARG 79 -2.714 5.699 17.620 583 HH22 ARG 79 1HH2 ARG 79 -3.581 5.769 19.116 584 H GLY 80 H GLY 80 -3.564 7.648 11.886 585 HA2 GLY 80 1HA GLY 80 -2.038 10.158 11.748 586 HA3 GLY 80 2HA GLY 80 -1.417 8.611 12.307 587 H TYR 81 H TYR 81 -1.519 10.767 9.750 588 HA TYR 81 HA TYR 81 -0.867 8.708 7.764 589 HB2 TYR 81 1HB TYR 81 -1.115 11.600 7.056 590 HB3 TYR 81 2HB TYR 81 -1.519 10.176 6.102 591 HD1 TYR 81 2HD TYR 81 -2.628 12.139 9.064 592 HD2 TYR 81 1HD TYR 81 -3.733 9.450 5.957 593 HE1 TYR 81 2HE TYR 81 -4.993 12.401 9.687 594 HE2 TYR 81 1HE TYR 81 -6.101 9.707 6.570 595 HH TYR 81 HH TYR 81 -7.134 12.047 8.975 596 HA PRO 82 HA PRO 82 0.020 8.973 5.601 597 HB2 PRO 82 1HB PRO 82 2.011 7.326 4.767 598 HB3 PRO 82 2HB PRO 82 1.889 9.016 4.265 599 HG2 PRO 82 1HG PRO 82 3.600 7.791 6.394 600 HG3 PRO 82 2HG PRO 82 4.023 9.020 5.189 601 HD2 PRO 82 1HD PRO 82 3.439 9.641 7.759 602 HD3 PRO 82 2HD PRO 82 3.062 10.725 6.406 603 H THR 83 H THR 83 -0.379 6.619 5.096 604 HA THR 83 HA THR 83 0.021 4.857 7.403 605 HB THR 83 HB THR 83 -2.672 5.381 6.130 606 HG1 THR 83 1HG THR 83 -2.641 5.657 8.784 607 HG21 THR 83 1HG2 THR 83 -2.137 2.979 6.802 608 HG22 THR 83 2HG2 THR 83 -3.580 3.700 7.516 609 HG23 THR 83 3HG2 THR 83 -2.098 3.569 8.464 610 H LEU 84 H LEU 84 0.335 2.752 6.886 611 HA LEU 84 HA LEU 84 -0.164 1.922 4.110 612 HB2 LEU 84 1HB LEU 84 2.263 1.006 5.602 613 HB3 LEU 84 2HB LEU 84 1.946 0.965 3.869 614 HG LEU 84 HG LEU 84 2.430 3.498 5.430 615 HD11 LEU 84 1HD1 LEU 84 4.532 2.785 3.612 616 HD12 LEU 84 2HD1 LEU 84 4.291 1.503 4.798 617 HD13 LEU 84 3HD1 LEU 84 4.618 3.150 5.335 618 HD21 LEU 84 1HD2 LEU 84 1.886 4.554 3.558 619 HD22 LEU 84 2HD2 LEU 84 1.412 3.010 2.849 620 HD23 LEU 84 3HD2 LEU 84 3.060 3.606 2.644 621 H LEU 85 H LEU 85 -1.002 -0.079 3.858 622 HA LEU 85 HA LEU 85 -0.955 -1.948 6.105 623 HB2 LEU 85 1HB LEU 85 -3.465 -0.999 4.732 624 HB3 LEU 85 2HB LEU 85 -3.383 -2.379 5.826 625 HG LEU 85 HG LEU 85 -2.677 0.432 6.650 626 HD11 LEU 85 1HD1 LEU 85 -5.301 -0.943 6.460 627 HD12 LEU 85 2HD1 LEU 85 -4.895 0.760 6.253 628 HD13 LEU 85 3HD1 LEU 85 -4.991 0.068 7.872 629 HD21 LEU 85 1HD2 LEU 85 -1.838 -1.625 7.926 630 HD22 LEU 85 2HD2 LEU 85 -3.522 -1.859 8.394 631 HD23 LEU 85 3HD2 LEU 85 -2.680 -0.376 8.843 632 H LEU 86 H LEU 86 -0.782 -4.031 5.493 633 HA LEU 86 HA LEU 86 -0.685 -4.569 2.618 634 HB2 LEU 86 1HB LEU 86 1.254 -5.149 4.039 635 HB3 LEU 86 2HB LEU 86 0.232 -6.277 4.928 636 HG LEU 86 HG LEU 86 -0.079 -7.563 2.820 637 HD11 LEU 86 1HD1 LEU 86 1.574 -7.125 1.005 638 HD12 LEU 86 2HD1 LEU 86 1.956 -5.594 1.793 639 HD13 LEU 86 3HD1 LEU 86 0.332 -5.885 1.171 640 HD21 LEU 86 1HD2 LEU 86 2.488 -7.211 4.244 641 HD22 LEU 86 2HD2 LEU 86 2.534 -8.139 2.743 642 HD23 LEU 86 3HD2 LEU 86 1.474 -8.643 4.061 643 H PHE 87 H PHE 87 -1.892 -6.146 1.624 644 HA PHE 87 HA PHE 87 -3.880 -7.560 3.260 645 HB2 PHE 87 1HB PHE 87 -4.442 -6.074 0.685 646 HB3 PHE 87 2HB PHE 87 -5.590 -7.118 1.517 647 HD1 PHE 87 2HD PHE 87 -6.605 -6.430 3.616 648 HD2 PHE 87 1HD PHE 87 -3.911 -3.886 1.522 649 HE1 PHE 87 2HE PHE 87 -7.357 -4.521 4.975 650 HE2 PHE 87 1HE PHE 87 -4.656 -1.973 2.879 651 HZ PHE 87 HZ PHE 87 -6.383 -2.289 4.606 652 H ARG 88 H ARG 88 -3.857 -9.671 2.892 653 HA ARG 88 HA ARG 88 -2.954 -10.634 0.258 654 HB2 ARG 88 1HB ARG 88 -1.236 -10.935 2.060 655 HB3 ARG 88 2HB ARG 88 -2.377 -11.976 2.902 656 HG2 ARG 88 1HG ARG 88 -2.261 -13.630 1.248 657 HG3 ARG 88 2HG ARG 88 -1.506 -12.534 0.088 658 HD2 ARG 88 1HD ARG 88 0.561 -12.695 1.076 659 HD3 ARG 88 2HD ARG 88 -0.109 -13.088 2.658 660 HE ARG 88 HE ARG 88 -0.028 -15.304 2.098 661 HH11 ARG 88 2HH1 ARG 88 0.261 -13.390 -0.796 662 HH12 ARG 88 1HH1 ARG 88 0.614 -14.746 -1.814 663 HH21 ARG 88 2HH2 ARG 88 0.438 -17.097 0.768 664 HH22 ARG 88 1HH2 ARG 88 0.714 -16.854 -0.923 665 H GLY 89 H GLY 89 -4.632 -11.542 -0.730 666 HA2 GLY 89 1HA GLY 89 -6.285 -13.127 -1.100 667 HA3 GLY 89 2HA GLY 89 -6.097 -13.665 0.563 668 H GLY 90 H GLY 90 -6.662 -10.308 -0.200 669 HA2 GLY 90 1HA GLY 90 -8.513 -8.961 0.072 670 HA3 GLY 90 2HA GLY 90 -9.507 -10.410 0.050 671 H LYS 91 H LYS 91 -6.897 -9.456 2.261 672 HA LYS 91 HA LYS 91 -8.700 -8.837 4.398 673 HB2 LYS 91 1HB LYS 91 -8.348 -10.674 5.819 674 HB3 LYS 91 2HB LYS 91 -8.663 -11.395 4.246 675 HG2 LYS 91 1HG LYS 91 -6.314 -11.798 3.908 676 HG3 LYS 91 2HG LYS 91 -5.919 -10.949 5.403 677 HD2 LYS 91 1HD LYS 91 -7.797 -13.266 5.494 678 HD3 LYS 91 2HD LYS 91 -6.064 -13.566 5.352 679 HE2 LYS 91 1HE LYS 91 -7.209 -11.757 7.459 680 HE3 LYS 91 2HE LYS 91 -7.053 -13.496 7.702 681 HZ1 LYS 91 1HZ LYS 91 -5.118 -12.571 8.591 682 HZ2 LYS 91 2HZ LYS 91 -4.903 -11.507 7.295 683 HZ3 LYS 91 3HZ LYS 91 -4.635 -13.163 7.082 684 H LYS 92 H LYS 92 -7.698 -7.753 6.056 685 HA LYS 92 HA LYS 92 -5.263 -6.495 5.557 686 HB2 LYS 92 1HB LYS 92 -5.463 -5.519 7.698 687 HB3 LYS 92 2HB LYS 92 -7.114 -5.776 7.150 688 HG2 LYS 92 1HG LYS 92 -6.847 -8.038 8.461 689 HG3 LYS 92 2HG LYS 92 -5.595 -7.134 9.314 690 HD2 LYS 92 1HD LYS 92 -8.368 -6.040 8.925 691 HD3 LYS 92 2HD LYS 92 -7.957 -7.081 10.290 692 HE2 LYS 92 1HE LYS 92 -6.379 -4.608 9.647 693 HE3 LYS 92 2HE LYS 92 -7.831 -4.551 10.645 694 HZ1 LYS 92 1HZ LYS 92 -6.674 -6.370 11.994 695 HZ2 LYS 92 2HZ LYS 92 -6.121 -4.782 12.169 696 HZ3 LYS 92 3HZ LYS 92 -5.258 -5.878 11.211 697 H VAL 93 H VAL 93 -3.177 -6.827 6.214 698 HA VAL 93 HA VAL 93 -2.614 -9.450 7.436 699 HB VAL 93 HB VAL 93 -0.849 -7.824 5.600 700 HG11 VAL 93 1HG1 VAL 93 -0.179 -10.625 6.045 701 HG12 VAL 93 2HG1 VAL 93 0.854 -9.194 6.067 702 HG13 VAL 93 3HG1 VAL 93 -0.068 -9.643 7.504 703 HG21 VAL 93 1HG2 VAL 93 -1.443 -9.197 3.855 704 HG22 VAL 93 2HG2 VAL 93 -1.944 -10.513 4.918 705 HG23 VAL 93 3HG2 VAL 93 -2.972 -9.092 4.728 706 H SER 94 H SER 94 -1.113 -6.227 7.101 707 HA SER 94 HA SER 94 -0.840 -5.857 9.899 708 HB2 SER 94 1HB SER 94 0.954 -7.629 9.289 709 HB3 SER 94 2HB SER 94 1.811 -6.282 8.541 710 HG SER 94 HG SER 94 2.183 -5.424 10.463 711 H GLU 95 H GLU 95 0.521 -3.906 10.397 712 HA GLU 95 HA GLU 95 0.296 -1.986 8.179 713 HB2 GLU 95 1HB GLU 95 -1.097 -1.585 10.225 714 HB3 GLU 95 2HB GLU 95 0.393 -1.387 11.138 715 HG2 GLU 95 1HG GLU 95 0.924 0.407 9.314 716 HG3 GLU 95 2HG GLU 95 -0.825 0.395 9.088 717 H HIS 96 H HIS 96 1.948 -0.465 7.828 718 HA HIS 96 HA HIS 96 4.586 -1.411 8.644 719 HB2 HIS 96 1HB HIS 96 3.861 -0.831 6.214 720 HB3 HIS 96 2HB HIS 96 4.103 0.839 6.715 721 HD1 HIS 96 1HD HIS 96 6.649 1.024 8.042 722 HD2 HIS 96 2HD HIS 96 6.080 -1.755 5.006 723 HE1 HIS 96 1HE HIS 96 8.953 0.459 7.206 724 HE2 HIS 96 2HE HIS 96 8.578 -1.159 5.313 725 H SER 97 H SER 97 5.641 -0.492 10.263 726 HA SER 97 HA SER 97 4.935 2.269 11.014 727 HB2 SER 97 1HB SER 97 5.477 1.728 13.297 728 HB3 SER 97 2HB SER 97 4.383 0.483 12.695 729 HG SER 97 HG SER 97 7.047 0.308 13.428 730 H GLY 98 H GLY 98 7.610 -0.062 10.839 731 HA2 GLY 98 1HA GLY 98 9.736 1.514 11.566 732 HA3 GLY 98 2HA GLY 98 9.832 0.263 10.335 733 H GLY 99 H GLY 99 11.511 2.259 9.968 734 HA2 GLY 99 1HA GLY 99 10.979 4.630 8.861 735 HA3 GLY 99 2HA GLY 99 12.167 3.550 8.147 736 H ARG 100 H ARG 100 9.928 5.510 7.189 737 HA ARG 100 HA ARG 100 8.424 3.732 5.441 738 HB2 ARG 100 1HB ARG 100 8.293 6.668 6.066 739 HB3 ARG 100 2HB ARG 100 7.463 6.011 4.662 740 HG2 ARG 100 1HG ARG 100 6.240 4.468 6.150 741 HG3 ARG 100 2HG ARG 100 7.022 5.231 7.536 742 HD2 ARG 100 1HD ARG 100 5.518 6.890 5.553 743 HD3 ARG 100 2HD ARG 100 4.649 6.005 6.806 744 HE ARG 100 HE ARG 100 6.074 8.417 7.140 745 HH11 ARG 100 2HH1 ARG 100 5.478 5.371 8.719 746 HH12 ARG 100 1HH1 ARG 100 5.719 6.004 10.314 747 HH21 ARG 100 2HH2 ARG 100 6.393 9.260 9.236 748 HH22 ARG 100 1HH2 ARG 100 6.239 8.215 10.607 749 H ASP 101 H ASP 101 11.121 3.624 4.909 750 HA ASP 101 HA ASP 101 11.571 5.326 2.571 751 HB2 ASP 101 1HB ASP 101 13.393 3.463 4.104 752 HB3 ASP 101 2HB ASP 101 13.872 4.295 2.627 753 H LEU 102 H LEU 102 12.169 4.437 0.538 754 HA LEU 102 HA LEU 102 10.555 2.484 -0.484 755 HB2 LEU 102 1HB LEU 102 11.681 3.854 -2.010 756 HB3 LEU 102 2HB LEU 102 13.260 3.458 -1.335 757 HG LEU 102 HG LEU 102 12.998 1.155 -2.265 758 HD11 LEU 102 1HD1 LEU 102 10.441 2.353 -3.196 759 HD12 LEU 102 2HD1 LEU 102 10.785 0.721 -2.624 760 HD13 LEU 102 3HD1 LEU 102 11.269 1.204 -4.249 761 HD21 LEU 102 1HD2 LEU 102 12.832 3.373 -4.301 762 HD22 LEU 102 2HD2 LEU 102 13.558 1.781 -4.529 763 HD23 LEU 102 3HD2 LEU 102 14.284 2.931 -3.403 764 H ASP 103 H ASP 103 13.980 2.010 0.398 765 HA ASP 103 HA ASP 103 14.009 -0.765 0.009 766 HB2 ASP 103 1HB ASP 103 16.002 0.796 0.287 767 HB3 ASP 103 2HB ASP 103 15.713 0.700 2.022 768 H SER 104 H SER 104 13.326 1.175 2.887 769 HA SER 104 HA SER 104 13.159 -0.918 4.739 770 HB2 SER 104 1HB SER 104 12.048 1.860 4.614 771 HB3 SER 104 2HB SER 104 11.499 0.772 5.888 772 HG SER 104 HG SER 104 14.248 1.075 5.394 773 H LEU 105 H LEU 105 10.947 0.170 2.300 774 HA LEU 105 HA LEU 105 8.678 -1.242 3.401 775 HB2 LEU 105 1HB LEU 105 9.104 0.133 0.754 776 HB3 LEU 105 2HB LEU 105 7.581 -0.593 1.266 777 HG LEU 105 HG LEU 105 8.873 1.576 2.885 778 HD11 LEU 105 1HD1 LEU 105 7.675 1.808 0.233 779 HD12 LEU 105 2HD1 LEU 105 8.658 2.955 1.141 780 HD13 LEU 105 3HD1 LEU 105 6.926 2.845 1.447 781 HD21 LEU 105 1HD2 LEU 105 7.069 0.359 3.934 782 HD22 LEU 105 2HD2 LEU 105 6.036 0.614 2.527 783 HD23 LEU 105 3HD2 LEU 105 6.524 1.985 3.524 784 H HIS 106 H HIS 106 10.884 -1.626 0.647 785 HA HIS 106 HA HIS 106 9.787 -3.850 -0.554 786 HB2 HIS 106 1HB HIS 106 11.786 -2.507 -1.332 787 HB3 HIS 106 2HB HIS 106 12.757 -3.436 -0.195 788 HD1 HIS 106 1HD HIS 106 14.020 -5.145 -1.440 789 HD2 HIS 106 2HD HIS 106 10.189 -4.652 -2.970 790 HE1 HIS 106 1HE HIS 106 13.819 -6.823 -3.303 791 HE2 HIS 106 2HE HIS 106 11.522 -6.447 -4.269 792 H ARG 107 H ARG 107 12.137 -3.774 2.114 793 HA ARG 107 HA ARG 107 12.323 -6.573 2.419 794 HB2 ARG 107 1HB ARG 107 13.457 -6.126 4.476 795 HB3 ARG 107 2HB ARG 107 13.935 -4.879 3.332 796 HG2 ARG 107 1HG ARG 107 12.083 -3.464 4.397 797 HG3 ARG 107 2HG ARG 107 12.114 -4.656 5.697 798 HD2 ARG 107 1HD ARG 107 14.656 -3.390 4.764 799 HD3 ARG 107 2HD ARG 107 13.588 -2.515 5.859 800 HE ARG 107 HE ARG 107 15.203 -4.830 6.477 801 HH11 ARG 107 2HH1 ARG 107 12.523 -2.818 7.421 802 HH12 ARG 107 1HH1 ARG 107 12.590 -3.287 9.088 803 HH21 ARG 107 2HH2 ARG 107 15.301 -5.455 8.668 804 HH22 ARG 107 1HH2 ARG 107 14.170 -4.786 9.797 805 H PHE 108 H PHE 108 10.322 -4.140 4.051 806 HA PHE 108 HA PHE 108 9.117 -5.612 6.003 807 HB2 PHE 108 1HB PHE 108 8.592 -3.287 5.790 808 HB3 PHE 108 2HB PHE 108 7.912 -3.525 4.183 809 HD1 PHE 108 2HD PHE 108 5.723 -4.585 3.906 810 HD2 PHE 108 1HD PHE 108 7.325 -3.748 7.759 811 HE1 PHE 108 2HE PHE 108 3.490 -4.879 4.894 812 HE2 PHE 108 1HE PHE 108 5.093 -4.041 8.754 813 HZ PHE 108 HZ PHE 108 3.172 -4.607 7.321 814 H VAL 109 H VAL 109 7.551 -5.132 2.835 815 HA VAL 109 HA VAL 109 5.626 -7.101 3.091 816 HB VAL 109 HB VAL 109 6.990 -6.220 0.542 817 HG11 VAL 109 1HG1 VAL 109 5.190 -8.308 0.931 818 HG12 VAL 109 2HG1 VAL 109 4.212 -6.974 0.313 819 HG13 VAL 109 3HG1 VAL 109 5.611 -7.541 -0.600 820 HG21 VAL 109 1HG2 VAL 109 5.222 -4.602 0.330 821 HG22 VAL 109 2HG2 VAL 109 4.442 -5.201 1.794 822 HG23 VAL 109 3HG2 VAL 109 6.002 -4.387 1.897 823 H LEU 110 H LEU 110 8.886 -7.370 1.710 824 HA LEU 110 HA LEU 110 8.841 -9.939 0.753 825 HB2 LEU 110 1HB LEU 110 10.997 -8.349 2.093 826 HB3 LEU 110 2HB LEU 110 11.295 -9.997 1.544 827 HG LEU 110 HG LEU 110 10.291 -7.861 -0.316 828 HD11 LEU 110 1HD1 LEU 110 12.905 -8.071 -0.942 829 HD12 LEU 110 2HD1 LEU 110 12.983 -8.229 0.812 830 HD13 LEU 110 3HD1 LEU 110 12.236 -6.805 0.089 831 HD21 LEU 110 1HD2 LEU 110 10.389 -10.503 -0.684 832 HD22 LEU 110 2HD2 LEU 110 12.044 -10.099 -1.144 833 HD23 LEU 110 3HD2 LEU 110 10.685 -9.347 -1.983 834 H SER 111 H SER 111 9.194 -8.879 4.096 835 HA SER 111 HA SER 111 9.551 -11.586 5.059 836 HB2 SER 111 1HB SER 111 10.607 -9.476 6.077 837 HB3 SER 111 2HB SER 111 9.017 -9.163 6.770 838 HG SER 111 HG SER 111 10.866 -10.674 7.783 839 H GLN 112 H GLN 112 7.062 -9.063 5.227 840 HA GLN 112 HA GLN 112 5.193 -10.196 6.845 841 HB2 GLN 112 1HB GLN 112 4.913 -8.576 4.336 842 HB3 GLN 112 2HB GLN 112 3.484 -9.162 5.175 843 HG2 GLN 112 1HG GLN 112 5.561 -7.235 6.145 844 HG3 GLN 112 2HG GLN 112 3.822 -6.995 5.977 845 HE21 GLN 112 1HE2 GLN 112 6.368 -8.143 7.972 846 HE22 GLN 112 2HE2 GLN 112 5.407 -8.543 9.350 847 H ALA 113 H ALA 113 5.291 -10.702 3.313 848 HA ALA 113 HA ALA 113 3.349 -12.753 3.310 849 HB1 ALA 113 1HB ALA 113 3.761 -11.547 1.294 850 HB2 ALA 113 2HB ALA 113 5.462 -12.012 1.295 851 HB3 ALA 113 3HB ALA 113 4.216 -13.227 1.013 852 H LYS 114 H LYS 114 6.901 -12.898 3.047 853 HA LYS 114 HA LYS 114 7.102 -15.697 2.988 854 HB2 LYS 114 1HB LYS 114 8.896 -13.952 2.450 855 HB3 LYS 114 2HB LYS 114 9.180 -13.871 4.184 856 HG2 LYS 114 1HG LYS 114 9.738 -16.240 4.217 857 HG3 LYS 114 2HG LYS 114 9.421 -16.346 2.484 858 HD2 LYS 114 1HD LYS 114 11.183 -14.418 2.343 859 HD3 LYS 114 2HD LYS 114 11.676 -15.019 3.928 860 HE2 LYS 114 1HE LYS 114 11.660 -17.339 2.735 861 HE3 LYS 114 2HE LYS 114 11.780 -16.372 1.266 862 HZ1 LYS 114 1HZ LYS 114 13.935 -17.133 2.306 863 HZ2 LYS 114 2HZ LYS 114 13.639 -16.013 3.539 864 HZ3 LYS 114 3HZ LYS 114 13.823 -15.485 1.942 865 H ASP 115 H ASP 115 5.719 -16.554 4.563 866 HA ASP 115 HA ASP 115 6.090 -15.900 7.347 867 HB2 ASP 115 1HB ASP 115 3.863 -16.438 6.736 868 HB3 ASP 115 2HB ASP 115 4.366 -17.901 5.894 869 H GLU 116 H GLU 116 8.082 -16.495 8.059 870 HA GLU 116 HA GLU 116 9.037 -19.202 7.517 871 HB2 GLU 116 1HB GLU 116 10.297 -16.675 8.484 872 HB3 GLU 116 2HB GLU 116 11.039 -18.204 8.934 873 HG2 GLU 116 1HG GLU 116 10.358 -17.769 6.078 874 HG3 GLU 116 2HG GLU 116 11.737 -16.902 6.752 875 H LEU 117 H LEU 117 9.225 -20.767 9.034 876 HA LEU 117 HA LEU 117 7.615 -20.701 11.319 877 HB2 LEU 117 1HB LEU 117 9.700 -22.522 10.251 878 HB3 LEU 117 2HB LEU 117 9.239 -22.712 11.941 879 HG LEU 117 HG LEU 117 6.807 -22.775 10.915 880 HD11 LEU 117 1HD1 LEU 117 8.611 -23.198 8.606 881 HD12 LEU 117 2HD1 LEU 117 6.989 -22.510 8.671 882 HD13 LEU 117 3HD1 LEU 117 7.208 -24.258 8.745 883 HD21 LEU 117 1HD2 LEU 117 7.475 -24.603 12.169 884 HD22 LEU 117 2HD2 LEU 117 8.858 -24.944 11.129 885 HD23 LEU 117 3HD2 LEU 117 7.225 -25.310 10.572 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -6.363 -14.594 -18.698 2 HA2 GLY 1 1HA GLY 1 -4.256 -15.244 -17.627 3 HA3 GLY 1 2HA GLY 1 -3.964 -14.887 -19.322 4 H SER 2 H SER 2 -4.210 -12.069 -19.180 5 HA SER 2 HA SER 2 -1.829 -11.410 -17.571 6 HB2 SER 2 1HB SER 2 -1.176 -9.828 -19.282 7 HB3 SER 2 2HB SER 2 -1.465 -11.390 -20.047 8 HG SER 2 HG SER 2 -3.741 -10.353 -20.248 9 H SER 3 H SER 3 -1.863 -9.618 -16.306 10 HA SER 3 HA SER 3 -4.457 -8.304 -15.995 11 HB2 SER 3 1HB SER 3 -2.018 -8.437 -14.216 12 HB3 SER 3 2HB SER 3 -3.422 -7.431 -13.857 13 HG SER 3 HG SER 3 -4.651 -9.464 -14.058 14 H GLY 4 H GLY 4 -4.400 -5.939 -15.417 15 HA2 GLY 4 1HA GLY 4 -2.493 -4.567 -17.207 16 HA3 GLY 4 2HA GLY 4 -4.135 -4.021 -16.904 17 H SER 5 H SER 5 -0.873 -3.873 -15.911 18 HA SER 5 HA SER 5 -1.555 -2.539 -13.395 19 HB2 SER 5 1HB SER 5 0.915 -3.805 -14.498 20 HB3 SER 5 2HB SER 5 1.099 -2.513 -13.312 21 HG SER 5 HG SER 5 -0.502 -3.812 -12.054 22 H SER 6 H SER 6 -0.824 -0.448 -12.901 23 HA SER 6 HA SER 6 -0.913 1.383 -15.071 24 HB2 SER 6 1HB SER 6 -0.267 1.759 -12.142 25 HB3 SER 6 2HB SER 6 -0.397 3.092 -13.288 26 HG SER 6 HG SER 6 -2.564 2.140 -13.743 27 H GLY 7 H GLY 7 1.674 0.862 -12.661 28 HA2 GLY 7 1HA GLY 7 3.883 0.311 -13.875 29 HA3 GLY 7 2HA GLY 7 3.599 1.865 -14.648 30 H THR 8 H THR 8 2.518 3.155 -12.311 31 HA THR 8 HA THR 8 4.950 3.311 -10.649 32 HB THR 8 HB THR 8 4.062 5.765 -10.287 33 HG1 THR 8 1HG THR 8 2.196 5.519 -11.586 34 HG21 THR 8 1HG2 THR 8 6.074 4.612 -11.800 35 HG22 THR 8 2HG2 THR 8 5.908 6.326 -11.419 36 HG23 THR 8 3HG2 THR 8 5.263 5.692 -12.932 37 H VAL 9 H VAL 9 1.439 3.805 -10.726 38 HA VAL 9 HA VAL 9 1.198 2.753 -8.051 39 HB VAL 9 HB VAL 9 0.402 5.613 -8.608 40 HG11 VAL 9 1HG1 VAL 9 -0.124 5.409 -6.044 41 HG12 VAL 9 2HG1 VAL 9 -1.316 4.918 -7.250 42 HG13 VAL 9 3HG1 VAL 9 -0.327 3.703 -6.440 43 HG21 VAL 9 1HG2 VAL 9 2.477 4.381 -6.808 44 HG22 VAL 9 2HG2 VAL 9 2.730 5.519 -8.132 45 HG23 VAL 9 3HG2 VAL 9 1.927 6.050 -6.653 46 H LEU 10 H LEU 10 -0.795 1.891 -7.663 47 HA LEU 10 HA LEU 10 -2.674 1.953 -9.909 48 HB2 LEU 10 1HB LEU 10 -2.102 0.035 -7.702 49 HB3 LEU 10 2HB LEU 10 -3.709 0.044 -8.423 50 HG LEU 10 HG LEU 10 -2.261 -0.142 -10.657 51 HD11 LEU 10 1HD1 LEU 10 -0.571 -1.473 -8.545 52 HD12 LEU 10 2HD1 LEU 10 -0.111 -0.092 -9.540 53 HD13 LEU 10 3HD1 LEU 10 -0.374 -1.667 -10.287 54 HD21 LEU 10 1HD2 LEU 10 -4.054 -1.661 -9.724 55 HD22 LEU 10 2HD2 LEU 10 -2.757 -2.562 -8.940 56 HD23 LEU 10 3HD2 LEU 10 -2.808 -2.439 -10.699 57 H ALA 11 H ALA 11 -3.940 3.724 -9.643 58 HA ALA 11 HA ALA 11 -4.903 4.640 -7.135 59 HB1 ALA 11 1HB ALA 11 -4.648 6.110 -9.083 60 HB2 ALA 11 2HB ALA 11 -5.954 5.245 -9.896 61 HB3 ALA 11 3HB ALA 11 -6.285 6.163 -8.427 62 H LEU 12 H LEU 12 -6.206 3.409 -5.929 63 HA LEU 12 HA LEU 12 -8.257 1.770 -7.199 64 HB2 LEU 12 1HB LEU 12 -7.456 1.982 -4.301 65 HB3 LEU 12 2HB LEU 12 -8.581 0.808 -4.982 66 HG LEU 12 HG LEU 12 -5.642 0.971 -5.647 67 HD11 LEU 12 1HD1 LEU 12 -5.686 -1.265 -4.374 68 HD12 LEU 12 2HD1 LEU 12 -7.179 -0.659 -3.661 69 HD13 LEU 12 3HD1 LEU 12 -5.674 0.233 -3.444 70 HD21 LEU 12 1HD2 LEU 12 -7.073 -1.509 -6.165 71 HD22 LEU 12 2HD2 LEU 12 -5.985 -0.589 -7.205 72 HD23 LEU 12 3HD2 LEU 12 -7.691 -0.150 -7.103 73 H THR 13 H THR 13 -10.464 1.874 -6.603 74 HA THR 13 HA THR 13 -11.294 4.377 -5.295 75 HB THR 13 HB THR 13 -13.038 4.743 -6.900 76 HG1 THR 13 1HG THR 13 -12.228 2.220 -7.917 77 HG21 THR 13 1HG2 THR 13 -10.410 5.086 -7.468 78 HG22 THR 13 2HG2 THR 13 -11.725 5.641 -8.504 79 HG23 THR 13 3HG2 THR 13 -10.918 4.110 -8.845 80 H GLU 14 H GLU 14 -13.593 4.323 -4.578 81 HA GLU 14 HA GLU 14 -14.080 2.093 -2.950 82 HB2 GLU 14 1HB GLU 14 -14.977 4.576 -2.868 83 HB3 GLU 14 2HB GLU 14 -16.327 3.887 -3.759 84 HG2 GLU 14 1HG GLU 14 -15.417 2.545 -1.265 85 HG3 GLU 14 2HG GLU 14 -16.358 4.032 -1.146 86 H ASN 15 H ASN 15 -14.510 2.430 -6.245 87 HA ASN 15 HA ASN 15 -16.761 0.569 -6.385 88 HB2 ASN 15 1HB ASN 15 -16.904 2.474 -7.871 89 HB3 ASN 15 2HB ASN 15 -15.309 2.129 -8.531 90 HD21 ASN 15 1HD2 ASN 15 -15.694 1.637 -10.585 91 HD22 ASN 15 2HD2 ASN 15 -16.785 0.414 -11.132 92 H ASN 16 H ASN 16 -13.335 0.803 -7.131 93 HA ASN 16 HA ASN 16 -13.296 -2.107 -7.541 94 HB2 ASN 16 1HB ASN 16 -11.390 -1.634 -9.209 95 HB3 ASN 16 2HB ASN 16 -13.041 -1.344 -9.748 96 HD21 ASN 16 1HD2 ASN 16 -10.293 0.305 -8.244 97 HD22 ASN 16 2HD2 ASN 16 -10.544 1.819 -9.038 98 H PHE 17 H PHE 17 -12.787 -0.816 -5.124 99 HA PHE 17 HA PHE 17 -9.880 -0.723 -4.856 100 HB2 PHE 17 1HB PHE 17 -10.801 1.069 -3.688 101 HB3 PHE 17 2HB PHE 17 -12.177 0.125 -3.126 102 HD1 PHE 17 1HD PHE 17 -11.530 -1.891 -1.539 103 HD2 PHE 17 2HD PHE 17 -9.144 1.575 -2.187 104 HE1 PHE 17 1HE PHE 17 -10.385 -2.282 0.604 105 HE2 PHE 17 2HE PHE 17 -7.996 1.188 -0.046 106 HZ PHE 17 HZ PHE 17 -8.615 -0.743 1.353 107 H ASP 18 H ASP 18 -12.598 -2.742 -4.130 108 HA ASP 18 HA ASP 18 -11.062 -4.426 -2.316 109 HB2 ASP 18 1HB ASP 18 -13.930 -4.260 -3.138 110 HB3 ASP 18 2HB ASP 18 -13.322 -5.784 -2.500 111 H ASP 19 H ASP 19 -12.674 -4.671 -5.470 112 HA ASP 19 HA ASP 19 -12.085 -7.324 -6.043 113 HB2 ASP 19 1HB ASP 19 -13.587 -5.800 -7.366 114 HB3 ASP 19 2HB ASP 19 -12.139 -5.079 -8.065 115 H THR 20 H THR 20 -10.017 -4.567 -5.964 116 HA THR 20 HA THR 20 -7.945 -5.673 -7.617 117 HB THR 20 HB THR 20 -7.882 -3.352 -5.680 118 HG1 THR 20 1HG THR 20 -9.224 -3.010 -7.498 119 HG21 THR 20 1HG2 THR 20 -5.851 -2.769 -7.211 120 HG22 THR 20 2HG2 THR 20 -5.822 -4.506 -7.517 121 HG23 THR 20 3HG2 THR 20 -5.640 -3.896 -5.872 122 H ILE 21 H ILE 21 -8.118 -4.948 -4.124 123 HA ILE 21 HA ILE 21 -5.764 -6.176 -3.352 124 HB ILE 21 HB ILE 21 -6.847 -6.482 -1.112 125 HG12 ILE 21 1HG1 ILE 21 -9.238 -5.271 -2.517 126 HG13 ILE 21 2HG1 ILE 21 -9.131 -6.925 -1.925 127 HG21 ILE 21 1HG2 ILE 21 -6.184 -4.395 -0.752 128 HG22 ILE 21 2HG2 ILE 21 -6.178 -4.127 -2.495 129 HG23 ILE 21 3HG2 ILE 21 -7.623 -3.765 -1.552 130 HD11 ILE 21 1HD1 ILE 21 -9.156 -6.234 0.314 131 HD12 ILE 21 2HD1 ILE 21 -8.823 -4.556 -0.115 132 HD13 ILE 21 3HD1 ILE 21 -10.391 -5.268 -0.493 133 H ALA 22 H ALA 22 -8.913 -7.597 -3.981 134 HA ALA 22 HA ALA 22 -8.635 -10.095 -2.845 135 HB1 ALA 22 1HB ALA 22 -9.873 -9.775 -5.554 136 HB2 ALA 22 2HB ALA 22 -10.374 -10.807 -4.215 137 HB3 ALA 22 3HB ALA 22 -10.620 -9.064 -4.124 138 H GLU 23 H GLU 23 -7.338 -8.901 -5.901 139 HA GLU 23 HA GLU 23 -6.316 -11.450 -6.721 140 HB2 GLU 23 1HB GLU 23 -5.744 -8.650 -7.700 141 HB3 GLU 23 2HB GLU 23 -5.107 -10.106 -8.450 142 HG2 GLU 23 1HG GLU 23 -7.647 -10.775 -8.536 143 HG3 GLU 23 2HG GLU 23 -7.874 -9.031 -8.441 144 H GLY 24 H GLY 24 -4.603 -12.424 -5.879 145 HA2 GLY 24 1HA GLY 24 -2.736 -12.710 -4.531 146 HA3 GLY 24 2HA GLY 24 -2.050 -11.604 -5.712 147 H ILE 25 H ILE 25 -0.646 -10.739 -4.142 148 HA ILE 25 HA ILE 25 -1.790 -9.421 -1.823 149 HB ILE 25 HB ILE 25 1.081 -9.372 -2.753 150 HG12 ILE 25 1HG1 ILE 25 -0.146 -11.218 -0.699 151 HG13 ILE 25 2HG1 ILE 25 0.145 -11.688 -2.370 152 HG21 ILE 25 1HG2 ILE 25 1.264 -7.875 -1.112 153 HG22 ILE 25 2HG2 ILE 25 -0.362 -8.210 -0.520 154 HG23 ILE 25 3HG2 ILE 25 0.992 -9.213 0.003 155 HD11 ILE 25 1HD1 ILE 25 2.463 -11.593 -2.109 156 HD12 ILE 25 2HD1 ILE 25 2.345 -10.659 -0.617 157 HD13 ILE 25 3HD1 ILE 25 1.875 -12.358 -0.633 158 H THR 26 H THR 26 -2.146 -7.289 -1.600 159 HA THR 26 HA THR 26 -1.150 -5.472 -3.685 160 HB THR 26 HB THR 26 -3.988 -5.551 -2.639 161 HG1 THR 26 1HG THR 26 -4.117 -6.869 -4.304 162 HG21 THR 26 1HG2 THR 26 -4.323 -3.702 -4.329 163 HG22 THR 26 2HG2 THR 26 -2.566 -3.564 -4.405 164 HG23 THR 26 3HG2 THR 26 -3.411 -3.257 -2.888 165 H PHE 27 H PHE 27 0.082 -4.010 -2.715 166 HA PHE 27 HA PHE 27 -0.394 -3.314 0.074 167 HB2 PHE 27 1HB PHE 27 1.913 -3.820 -1.103 168 HB3 PHE 27 2HB PHE 27 1.818 -2.117 -1.544 169 HD1 PHE 27 1HD PHE 27 0.801 -3.874 1.576 170 HD2 PHE 27 2HD PHE 27 3.370 -1.010 -0.245 171 HE1 PHE 27 1HE PHE 27 1.677 -3.257 3.791 172 HE2 PHE 27 2HE PHE 27 4.250 -0.389 1.966 173 HZ PHE 27 HZ PHE 27 3.405 -1.513 3.988 174 H ILE 28 H ILE 28 -1.800 -1.740 0.464 175 HA ILE 28 HA ILE 28 -2.038 0.476 -1.447 176 HB ILE 28 HB ILE 28 -3.889 -0.251 0.827 177 HG12 ILE 28 1HG1 ILE 28 -4.306 -0.684 -2.135 178 HG13 ILE 28 2HG1 ILE 28 -3.749 -1.942 -1.036 179 HG21 ILE 28 1HG2 ILE 28 -4.085 1.766 -1.398 180 HG22 ILE 28 2HG2 ILE 28 -5.461 1.259 -0.419 181 HG23 ILE 28 3HG2 ILE 28 -4.089 2.068 0.340 182 HD11 ILE 28 1HD1 ILE 28 -6.183 -0.598 -0.151 183 HD12 ILE 28 2HD1 ILE 28 -6.343 -1.451 -1.686 184 HD13 ILE 28 3HD1 ILE 28 -5.799 -2.317 -0.250 185 H LYS 29 H LYS 29 -2.182 2.654 -0.661 186 HA LYS 29 HA LYS 29 -0.976 3.084 1.986 187 HB2 LYS 29 1HB LYS 29 0.838 3.382 0.470 188 HB3 LYS 29 2HB LYS 29 -0.154 4.321 -0.638 189 HG2 LYS 29 1HG LYS 29 -0.367 5.923 1.439 190 HG3 LYS 29 2HG LYS 29 1.142 5.135 1.908 191 HD2 LYS 29 1HD LYS 29 1.500 7.210 0.612 192 HD3 LYS 29 2HD LYS 29 2.177 5.783 -0.176 193 HE2 LYS 29 1HE LYS 29 0.587 5.784 -1.841 194 HE3 LYS 29 2HE LYS 29 -0.597 6.644 -0.858 195 HZ1 LYS 29 1HZ LYS 29 1.091 7.715 -2.765 196 HZ2 LYS 29 2HZ LYS 29 1.691 8.256 -1.278 197 HZ3 LYS 29 3HZ LYS 29 0.082 8.560 -1.702 198 H PHE 30 H PHE 30 -1.917 4.630 3.184 199 HA PHE 30 HA PHE 30 -3.979 6.282 1.883 200 HB2 PHE 30 1HB PHE 30 -3.889 5.533 4.806 201 HB3 PHE 30 2HB PHE 30 -5.232 6.246 3.919 202 HD1 PHE 30 1HD PHE 30 -3.150 3.183 4.154 203 HD2 PHE 30 2HD PHE 30 -6.857 4.893 2.948 204 HE1 PHE 30 1HE PHE 30 -4.039 0.933 3.707 205 HE2 PHE 30 2HE PHE 30 -7.751 2.646 2.499 206 HZ PHE 30 HZ PHE 30 -6.343 0.662 2.879 207 H TYR 31 H TYR 31 -2.822 8.106 1.420 208 HA TYR 31 HA TYR 31 -1.523 9.466 3.687 209 HB2 TYR 31 1HB TYR 31 0.021 10.433 2.225 210 HB3 TYR 31 2HB TYR 31 -0.168 8.805 1.582 211 HD1 TYR 31 1HD TYR 31 -1.796 8.488 -0.373 212 HD2 TYR 31 2HD TYR 31 -0.349 12.295 0.860 213 HE1 TYR 31 1HE TYR 31 -2.394 9.420 -2.570 214 HE2 TYR 31 2HE TYR 31 -0.944 13.238 -1.333 215 HH TYR 31 HH TYR 31 -1.938 11.234 -3.986 216 H ALA 32 H ALA 32 -1.369 11.994 2.923 217 HA ALA 32 HA ALA 32 -4.078 12.839 2.159 218 HB1 ALA 32 1HB ALA 32 -4.509 13.536 4.220 219 HB2 ALA 32 2HB ALA 32 -2.888 13.092 4.753 220 HB3 ALA 32 3HB ALA 32 -3.183 14.690 4.070 221 HA PRO 33 HA PRO 33 -1.651 15.392 -0.558 222 HB2 PRO 33 1HB PRO 33 -3.751 16.694 -1.683 223 HB3 PRO 33 2HB PRO 33 -3.306 15.037 -2.111 224 HG2 PRO 33 1HG PRO 33 -5.442 16.005 -0.249 225 HG3 PRO 33 2HG PRO 33 -5.514 14.709 -1.458 226 HD2 PRO 33 1HD PRO 33 -5.171 14.221 1.184 227 HD3 PRO 33 2HD PRO 33 -4.462 13.192 -0.078 228 H TRP 34 H TRP 34 -3.202 16.270 2.218 229 HA TRP 34 HA TRP 34 -2.629 19.133 1.828 230 HB2 TRP 34 1HB TRP 34 -4.176 19.521 3.737 231 HB3 TRP 34 2HB TRP 34 -4.962 18.762 2.355 232 HD1 TRP 34 HD TRP 34 -6.047 16.410 2.718 233 HE1 TRP 34 1HE TRP 34 -6.388 14.904 4.778 234 HE3 TRP 34 3HE TRP 34 -2.986 18.839 6.015 235 HZ2 TRP 34 2HZ TRP 34 -5.479 14.765 7.447 236 HZ3 TRP 34 3HZ TRP 34 -2.777 17.955 8.301 237 HH2 TRP 34 HH TRP 34 -4.000 15.961 9.001 238 H CYS 35 H CYS 35 -1.316 16.423 3.095 239 HA CYS 35 HA CYS 35 -0.155 17.791 5.422 240 HB2 CYS 35 1HB CYS 35 -1.286 15.467 5.583 241 HB3 CYS 35 2HB CYS 35 0.177 14.865 4.813 242 HG CYS 35 HG CYS 35 1.876 15.778 6.853 243 H GLY 36 H GLY 36 2.069 17.941 5.695 244 HA2 GLY 36 1HA GLY 36 3.582 18.086 3.258 245 HA3 GLY 36 2HA GLY 36 4.166 18.458 4.874 246 H HIS 37 H HIS 37 4.123 16.279 6.289 247 HA HIS 37 HA HIS 37 6.275 14.775 5.605 248 HB2 HIS 37 1HB HIS 37 3.904 14.255 7.328 249 HB3 HIS 37 2HB HIS 37 4.955 12.890 6.961 250 HD1 HIS 37 1HD HIS 37 4.590 14.292 9.804 251 HD2 HIS 37 2HD HIS 37 7.761 14.822 7.171 252 HE1 HIS 37 1HE HIS 37 6.518 15.068 11.221 253 HE2 HIS 37 2HE HIS 37 8.400 15.464 9.594 254 H CYS 38 H CYS 38 2.903 14.063 4.769 255 HA CYS 38 HA CYS 38 3.242 11.596 3.559 256 HB2 CYS 38 1HB CYS 38 1.332 13.831 2.850 257 HB3 CYS 38 2HB CYS 38 1.215 12.195 2.211 258 HG CYS 38 HG CYS 38 -0.132 11.218 4.163 259 H LYS 39 H LYS 39 3.659 14.830 2.188 260 HA LYS 39 HA LYS 39 4.049 14.138 -0.478 261 HB2 LYS 39 1HB LYS 39 5.272 16.377 1.141 262 HB3 LYS 39 2HB LYS 39 5.392 16.254 -0.609 263 HG2 LYS 39 1HG LYS 39 3.025 16.492 -0.855 264 HG3 LYS 39 2HG LYS 39 2.788 16.401 0.892 265 HD2 LYS 39 1HD LYS 39 4.053 18.483 1.166 266 HD3 LYS 39 2HD LYS 39 4.281 18.573 -0.582 267 HE2 LYS 39 1HE LYS 39 2.468 20.023 0.051 268 HE3 LYS 39 2HE LYS 39 1.821 18.655 -0.853 269 HZ1 LYS 39 1HZ LYS 39 1.904 18.212 1.985 270 HZ2 LYS 39 2HZ LYS 39 0.634 17.980 0.891 271 HZ3 LYS 39 3HZ LYS 39 0.917 19.514 1.547 272 H THR 40 H THR 40 6.199 13.889 2.257 273 HA THR 40 HA THR 40 8.625 13.582 0.844 274 HB THR 40 HB THR 40 7.969 12.360 3.528 275 HG1 THR 40 1HG THR 40 8.858 14.993 2.886 276 HG21 THR 40 1HG2 THR 40 10.057 11.554 3.074 277 HG22 THR 40 2HG2 THR 40 10.511 13.126 3.730 278 HG23 THR 40 3HG2 THR 40 10.452 12.883 1.984 279 H LEU 41 H LEU 41 5.934 11.530 1.194 280 HA LEU 41 HA LEU 41 7.518 9.165 0.457 281 HB2 LEU 41 1HB LEU 41 6.039 9.026 2.459 282 HB3 LEU 41 2HB LEU 41 4.656 9.279 1.396 283 HG LEU 41 HG LEU 41 5.400 7.165 0.186 284 HD11 LEU 41 1HD1 LEU 41 7.660 7.365 1.596 285 HD12 LEU 41 2HD1 LEU 41 7.028 5.826 1.010 286 HD13 LEU 41 3HD1 LEU 41 6.744 6.317 2.680 287 HD21 LEU 41 1HD2 LEU 41 4.663 6.548 3.009 288 HD22 LEU 41 2HD2 LEU 41 4.022 5.885 1.506 289 HD23 LEU 41 3HD2 LEU 41 3.565 7.509 2.019 290 H ALA 42 H ALA 42 5.399 11.508 -0.771 291 HA ALA 42 HA ALA 42 3.795 10.371 -2.615 292 HB1 ALA 42 1HB ALA 42 5.178 12.446 -3.991 293 HB2 ALA 42 2HB ALA 42 3.581 12.486 -3.244 294 HB3 ALA 42 3HB ALA 42 5.009 12.904 -2.296 295 HA PRO 43 HA PRO 43 7.347 9.802 -5.835 296 HB2 PRO 43 1HB PRO 43 9.893 10.208 -4.982 297 HB3 PRO 43 2HB PRO 43 8.887 11.498 -5.653 298 HG2 PRO 43 1HG PRO 43 9.465 10.843 -2.791 299 HG3 PRO 43 2HG PRO 43 9.411 12.426 -3.588 300 HD2 PRO 43 1HD PRO 43 7.363 11.477 -2.094 301 HD3 PRO 43 2HD PRO 43 7.110 12.533 -3.498 302 H THR 44 H THR 44 8.554 9.081 -2.558 303 HA THR 44 HA THR 44 9.947 6.767 -3.050 304 HB THR 44 HB THR 44 8.213 7.372 -0.646 305 HG1 THR 44 1HG THR 44 10.229 8.683 -1.417 306 HG21 THR 44 1HG2 THR 44 8.626 5.096 -0.429 307 HG22 THR 44 2HG2 THR 44 9.987 5.811 0.436 308 HG23 THR 44 3HG2 THR 44 10.206 5.207 -1.206 309 H TRP 45 H TRP 45 6.522 6.909 -2.048 310 HA TRP 45 HA TRP 45 5.829 4.293 -2.152 311 HB2 TRP 45 1HB TRP 45 4.325 6.266 -1.642 312 HB3 TRP 45 2HB TRP 45 4.103 6.446 -3.380 313 HD1 TRP 45 HD TRP 45 1.960 5.345 -4.211 314 HE1 TRP 45 1HE TRP 45 0.507 3.344 -3.501 315 HE3 TRP 45 3HE TRP 45 4.731 3.699 -0.242 316 HZ2 TRP 45 2HZ TRP 45 0.532 1.333 -1.520 317 HZ3 TRP 45 3HZ TRP 45 3.946 1.730 1.008 318 HH2 TRP 45 HH TRP 45 1.889 0.573 0.381 319 H GLU 46 H GLU 46 5.928 6.481 -4.956 320 HA GLU 46 HA GLU 46 5.085 4.695 -6.905 321 HB2 GLU 46 1HB GLU 46 6.938 7.061 -7.002 322 HB3 GLU 46 2HB GLU 46 6.575 6.129 -8.447 323 HG2 GLU 46 1HG GLU 46 4.307 6.719 -8.394 324 HG3 GLU 46 2HG GLU 46 4.413 7.303 -6.734 325 H GLU 47 H GLU 47 8.433 5.439 -5.930 326 HA GLU 47 HA GLU 47 9.817 3.760 -7.586 327 HB2 GLU 47 1HB GLU 47 10.300 4.578 -4.736 328 HB3 GLU 47 2HB GLU 47 11.412 3.493 -5.560 329 HG2 GLU 47 1HG GLU 47 10.671 6.036 -6.903 330 HG3 GLU 47 2HG GLU 47 11.783 6.095 -5.536 331 H LEU 48 H LEU 48 8.073 2.917 -4.644 332 HA LEU 48 HA LEU 48 8.970 0.289 -4.341 333 HB2 LEU 48 1HB LEU 48 7.637 1.566 -2.685 334 HB3 LEU 48 2HB LEU 48 6.222 1.360 -3.717 335 HG LEU 48 HG LEU 48 6.468 -1.115 -3.406 336 HD11 LEU 48 1HD1 LEU 48 7.804 -1.850 -1.455 337 HD12 LEU 48 2HD1 LEU 48 8.507 -0.235 -1.370 338 HD13 LEU 48 3HD1 LEU 48 8.786 -1.244 -2.789 339 HD21 LEU 48 1HD2 LEU 48 5.814 0.813 -1.236 340 HD22 LEU 48 2HD2 LEU 48 5.830 -0.910 -0.858 341 HD23 LEU 48 3HD2 LEU 48 4.763 -0.294 -2.121 342 H SER 49 H SER 49 6.111 1.518 -6.070 343 HA SER 49 HA SER 49 4.987 -0.813 -6.944 344 HB2 SER 49 1HB SER 49 3.969 0.426 -8.699 345 HB3 SER 49 2HB SER 49 4.207 1.575 -7.384 346 HG SER 49 HG SER 49 5.285 2.708 -8.772 347 H LYS 50 H LYS 50 7.868 0.768 -8.178 348 HA LYS 50 HA LYS 50 8.155 -0.901 -10.474 349 HB2 LYS 50 1HB LYS 50 10.160 0.830 -9.015 350 HB3 LYS 50 2HB LYS 50 10.460 0.044 -10.559 351 HG2 LYS 50 1HG LYS 50 8.950 1.413 -11.688 352 HG3 LYS 50 2HG LYS 50 8.152 1.918 -10.197 353 HD2 LYS 50 1HD LYS 50 10.353 3.006 -9.557 354 HD3 LYS 50 2HD LYS 50 10.865 2.724 -11.222 355 HE2 LYS 50 1HE LYS 50 9.350 4.233 -12.083 356 HE3 LYS 50 2HE LYS 50 8.260 4.083 -10.706 357 HZ1 LYS 50 1HZ LYS 50 9.977 5.250 -9.369 358 HZ2 LYS 50 2HZ LYS 50 9.304 6.199 -10.595 359 HZ3 LYS 50 3HZ LYS 50 10.846 5.533 -10.791 360 H LYS 51 H LYS 51 9.644 -0.870 -7.251 361 HA LYS 51 HA LYS 51 11.525 -2.785 -7.369 362 HB2 LYS 51 1HB LYS 51 9.388 -2.605 -5.236 363 HB3 LYS 51 2HB LYS 51 10.927 -3.439 -5.063 364 HG2 LYS 51 1HG LYS 51 10.728 -0.506 -5.681 365 HG3 LYS 51 2HG LYS 51 10.776 -1.143 -4.036 366 HD2 LYS 51 1HD LYS 51 12.874 -1.705 -6.128 367 HD3 LYS 51 2HD LYS 51 12.995 -0.416 -4.929 368 HE2 LYS 51 1HE LYS 51 12.580 -2.309 -3.213 369 HE3 LYS 51 2HE LYS 51 13.043 -3.385 -4.532 370 HZ1 LYS 51 1HZ LYS 51 15.149 -2.972 -4.056 371 HZ2 LYS 51 2HZ LYS 51 14.705 -1.895 -2.830 372 HZ3 LYS 51 3HZ LYS 51 14.927 -1.333 -4.409 373 H GLU 52 H GLU 52 11.641 -5.057 -7.155 374 HA GLU 52 HA GLU 52 9.214 -6.461 -8.060 375 HB2 GLU 52 1HB GLU 52 12.062 -6.671 -8.872 376 HB3 GLU 52 2HB GLU 52 11.146 -8.169 -8.791 377 HG2 GLU 52 1HG GLU 52 9.404 -6.739 -10.184 378 HG3 GLU 52 2HG GLU 52 10.870 -5.869 -10.636 379 H PHE 53 H PHE 53 8.507 -8.178 -6.925 380 HA PHE 53 HA PHE 53 10.040 -8.912 -4.529 381 HB2 PHE 53 1HB PHE 53 7.125 -9.492 -5.053 382 HB3 PHE 53 2HB PHE 53 7.978 -9.568 -3.515 383 HD1 PHE 53 1HD PHE 53 7.008 -7.179 -6.196 384 HD2 PHE 53 2HD PHE 53 7.923 -7.756 -2.079 385 HE1 PHE 53 1HE PHE 53 6.358 -4.852 -5.729 386 HE2 PHE 53 2HE PHE 53 7.274 -5.432 -1.605 387 HZ PHE 53 HZ PHE 53 6.489 -3.976 -3.431 388 HA PRO 54 HA PRO 54 10.661 -12.630 -7.099 389 HB2 PRO 54 1HB PRO 54 12.966 -13.349 -5.859 390 HB3 PRO 54 2HB PRO 54 12.908 -12.153 -7.159 391 HG2 PRO 54 1HG PRO 54 13.030 -11.728 -4.198 392 HG3 PRO 54 2HG PRO 54 13.910 -10.885 -5.487 393 HD2 PRO 54 1HD PRO 54 11.718 -9.836 -4.293 394 HD3 PRO 54 2HD PRO 54 12.119 -9.527 -5.995 395 H GLY 55 H GLY 55 9.952 -14.639 -6.649 396 HA2 GLY 55 1HA GLY 55 9.354 -16.513 -5.446 397 HA3 GLY 55 2HA GLY 55 10.272 -15.875 -4.090 398 H LEU 56 H LEU 56 8.036 -13.636 -5.252 399 HA LEU 56 HA LEU 56 6.042 -14.472 -3.253 400 HB2 LEU 56 1HB LEU 56 7.177 -11.740 -3.778 401 HB3 LEU 56 2HB LEU 56 5.650 -11.980 -2.931 402 HG LEU 56 HG LEU 56 8.387 -12.873 -2.033 403 HD11 LEU 56 1HD1 LEU 56 7.385 -11.388 -0.036 404 HD12 LEU 56 2HD1 LEU 56 6.610 -10.602 -1.411 405 HD13 LEU 56 3HD1 LEU 56 8.368 -10.726 -1.342 406 HD21 LEU 56 1HD2 LEU 56 5.646 -13.507 -0.999 407 HD22 LEU 56 2HD2 LEU 56 7.044 -13.482 0.074 408 HD23 LEU 56 3HD2 LEU 56 7.003 -14.595 -1.294 409 H ALA 57 H ALA 57 3.929 -13.184 -3.589 410 HA ALA 57 HA ALA 57 3.053 -13.700 -6.275 411 HB1 ALA 57 1HB ALA 57 1.290 -12.253 -4.384 412 HB2 ALA 57 2HB ALA 57 0.938 -13.611 -5.453 413 HB3 ALA 57 3HB ALA 57 1.794 -13.882 -3.936 414 H GLY 58 H GLY 58 1.868 -12.121 -7.581 415 HA2 GLY 58 1HA GLY 58 3.365 -9.850 -8.164 416 HA3 GLY 58 2HA GLY 58 1.709 -10.117 -8.687 417 H VAL 59 H VAL 59 3.715 -8.823 -6.096 418 HA VAL 59 HA VAL 59 1.616 -7.722 -4.556 419 HB VAL 59 HB VAL 59 4.461 -6.721 -4.730 420 HG11 VAL 59 1HG1 VAL 59 3.538 -6.461 -2.137 421 HG12 VAL 59 2HG1 VAL 59 3.701 -5.166 -3.324 422 HG13 VAL 59 3HG1 VAL 59 2.155 -5.994 -3.126 423 HG21 VAL 59 1HG2 VAL 59 4.885 -8.868 -4.114 424 HG22 VAL 59 2HG2 VAL 59 4.483 -8.217 -2.526 425 HG23 VAL 59 3HG2 VAL 59 3.272 -9.113 -3.443 426 H LYS 60 H LYS 60 0.191 -6.341 -5.404 427 HA LYS 60 HA LYS 60 1.030 -4.359 -7.361 428 HB2 LYS 60 1HB LYS 60 -1.679 -5.080 -6.235 429 HB3 LYS 60 2HB LYS 60 -1.420 -3.806 -7.418 430 HG2 LYS 60 1HG LYS 60 -0.861 -5.303 -9.099 431 HG3 LYS 60 2HG LYS 60 -0.487 -6.596 -7.956 432 HD2 LYS 60 1HD LYS 60 -3.266 -5.497 -8.156 433 HD3 LYS 60 2HD LYS 60 -2.694 -6.705 -9.309 434 HE2 LYS 60 1HE LYS 60 -2.396 -7.137 -6.360 435 HE3 LYS 60 2HE LYS 60 -3.924 -7.483 -7.168 436 HZ1 LYS 60 1HZ LYS 60 -2.372 -8.796 -8.780 437 HZ2 LYS 60 2HZ LYS 60 -2.878 -9.492 -7.324 438 HZ3 LYS 60 3HZ LYS 60 -1.329 -8.822 -7.449 439 H ILE 61 H ILE 61 1.265 -2.229 -6.986 440 HA ILE 61 HA ILE 61 0.894 -1.310 -4.221 441 HB ILE 61 HB ILE 61 2.580 -0.144 -6.437 442 HG12 ILE 61 1HG1 ILE 61 3.639 -2.115 -5.642 443 HG13 ILE 61 2HG1 ILE 61 4.443 -0.780 -4.823 444 HG21 ILE 61 1HG2 ILE 61 3.302 0.913 -3.930 445 HG22 ILE 61 2HG2 ILE 61 2.579 1.758 -5.297 446 HG23 ILE 61 3HG2 ILE 61 1.549 1.049 -4.054 447 HD11 ILE 61 1HD1 ILE 61 3.037 -1.200 -2.843 448 HD12 ILE 61 2HD1 ILE 61 2.340 -2.594 -3.669 449 HD13 ILE 61 3HD1 ILE 61 4.058 -2.571 -3.274 450 H ALA 62 H ALA 62 -0.970 -0.294 -3.898 451 HA ALA 62 HA ALA 62 -1.986 1.490 -6.015 452 HB1 ALA 62 1HB ALA 62 -3.805 0.198 -5.843 453 HB2 ALA 62 2HB ALA 62 -3.306 -0.467 -4.287 454 HB3 ALA 62 3HB ALA 62 -4.119 1.097 -4.359 455 H GLU 63 H GLU 63 -3.269 3.362 -5.194 456 HA GLU 63 HA GLU 63 -2.211 4.371 -2.638 457 HB2 GLU 63 1HB GLU 63 -0.975 5.735 -3.975 458 HB3 GLU 63 2HB GLU 63 -2.069 5.564 -5.341 459 HG2 GLU 63 1HG GLU 63 -3.044 7.088 -2.998 460 HG3 GLU 63 2HG GLU 63 -1.798 7.834 -3.998 461 H VAL 64 H VAL 64 -3.594 5.582 -1.389 462 HA VAL 64 HA VAL 64 -6.295 6.079 -2.427 463 HB VAL 64 HB VAL 64 -5.672 4.699 0.186 464 HG11 VAL 64 1HG1 VAL 64 -8.306 5.680 -0.907 465 HG12 VAL 64 2HG1 VAL 64 -8.115 4.658 0.518 466 HG13 VAL 64 3HG1 VAL 64 -7.462 6.297 0.512 467 HG21 VAL 64 1HG2 VAL 64 -5.590 3.153 -1.637 468 HG22 VAL 64 2HG2 VAL 64 -7.118 2.908 -0.791 469 HG23 VAL 64 3HG2 VAL 64 -7.086 3.792 -2.316 470 H ASP 65 H ASP 65 -7.075 8.024 -1.902 471 HA ASP 65 HA ASP 65 -5.488 9.701 -0.111 472 HB2 ASP 65 1HB ASP 65 -7.011 11.529 -1.057 473 HB3 ASP 65 2HB ASP 65 -5.875 10.778 -2.173 474 H CYS 66 H CYS 66 -6.187 10.425 1.812 475 HA CYS 66 HA CYS 66 -8.639 9.322 2.875 476 HB2 CYS 66 1HB CYS 66 -6.377 10.917 4.065 477 HB3 CYS 66 2HB CYS 66 -7.841 10.564 4.977 478 H THR 67 H THR 67 -8.276 11.745 0.891 479 HA THR 67 HA THR 67 -10.010 13.629 2.340 480 HB THR 67 HB THR 67 -9.401 15.290 0.640 481 HG1 THR 67 1HG THR 67 -7.515 14.567 -0.731 482 HG21 THR 67 1HG2 THR 67 -6.872 15.316 1.147 483 HG22 THR 67 2HG2 THR 67 -7.201 13.883 2.121 484 HG23 THR 67 3HG2 THR 67 -7.994 15.412 2.502 485 H ALA 68 H ALA 68 -9.706 11.744 -0.618 486 HA ALA 68 HA ALA 68 -12.449 12.500 -1.363 487 HB1 ALA 68 1HB ALA 68 -11.473 11.063 -3.481 488 HB2 ALA 68 2HB ALA 68 -11.471 12.823 -3.347 489 HB3 ALA 68 3HB ALA 68 -10.038 11.902 -2.892 490 H GLU 69 H GLU 69 -10.348 9.778 -0.648 491 HA GLU 69 HA GLU 69 -12.631 7.948 -0.921 492 HB2 GLU 69 1HB GLU 69 -9.668 7.380 -0.735 493 HB3 GLU 69 2HB GLU 69 -10.916 6.146 -0.824 494 HG2 GLU 69 1HG GLU 69 -11.578 6.937 -3.018 495 HG3 GLU 69 2HG GLU 69 -10.383 8.230 -2.929 496 H ARG 70 H ARG 70 -12.358 9.764 1.309 497 HA ARG 70 HA ARG 70 -11.263 8.800 3.616 498 HB2 ARG 70 1HB ARG 70 -13.868 10.232 3.141 499 HB3 ARG 70 2HB ARG 70 -13.320 9.829 4.763 500 HG2 ARG 70 1HG ARG 70 -11.504 11.276 4.645 501 HG3 ARG 70 2HG ARG 70 -11.560 11.351 2.882 502 HD2 ARG 70 1HD ARG 70 -13.800 12.486 3.123 503 HD3 ARG 70 2HD ARG 70 -13.463 12.604 4.850 504 HE ARG 70 HE ARG 70 -12.342 14.207 2.759 505 HH11 ARG 70 2HH1 ARG 70 -11.793 12.911 5.943 506 HH12 ARG 70 1HH1 ARG 70 -10.680 14.158 6.400 507 HH21 ARG 70 2HH2 ARG 70 -10.877 15.853 3.349 508 HH22 ARG 70 1HH2 ARG 70 -10.160 15.830 4.924 509 H ASN 71 H ASN 71 -14.502 7.987 2.371 510 HA ASN 71 HA ASN 71 -15.549 6.361 4.202 511 HB2 ASN 71 1HB ASN 71 -15.434 6.123 1.229 512 HB3 ASN 71 2HB ASN 71 -16.119 4.783 2.143 513 HD21 ASN 71 1HD2 ASN 71 -18.014 5.464 0.831 514 HD22 ASN 71 2HD2 ASN 71 -19.056 6.669 1.500 515 H ILE 72 H ILE 72 -12.839 5.481 2.113 516 HA ILE 72 HA ILE 72 -12.640 2.818 3.191 517 HB ILE 72 HB ILE 72 -10.688 4.358 1.477 518 HG12 ILE 72 1HG1 ILE 72 -12.681 2.226 0.684 519 HG13 ILE 72 2HG1 ILE 72 -12.937 3.953 0.458 520 HG21 ILE 72 1HG2 ILE 72 -10.757 1.387 1.643 521 HG22 ILE 72 2HG2 ILE 72 -9.417 2.463 1.255 522 HG23 ILE 72 3HG2 ILE 72 -9.956 2.295 2.925 523 HD11 ILE 72 1HD1 ILE 72 -12.100 3.558 -1.577 524 HD12 ILE 72 2HD1 ILE 72 -10.541 3.625 -0.754 525 HD13 ILE 72 3HD1 ILE 72 -11.304 2.067 -1.074 526 H CYS 73 H CYS 73 -10.720 5.803 3.440 527 HA CYS 73 HA CYS 73 -8.721 4.878 5.127 528 HB2 CYS 73 1HB CYS 73 -9.925 7.550 4.576 529 HB3 CYS 73 2HB CYS 73 -8.869 7.397 5.976 530 H SER 74 H SER 74 -11.727 6.554 6.064 531 HA SER 74 HA SER 74 -11.449 6.438 8.803 532 HB2 SER 74 1HB SER 74 -13.859 6.406 7.009 533 HB3 SER 74 2HB SER 74 -14.053 6.275 8.756 534 HG SER 74 HG SER 74 -12.786 8.375 7.328 535 H LYS 75 H LYS 75 -12.707 3.961 6.618 536 HA LYS 75 HA LYS 75 -13.575 2.134 8.561 537 HB2 LYS 75 1HB LYS 75 -14.264 1.837 6.289 538 HB3 LYS 75 2HB LYS 75 -12.599 1.736 5.733 539 HG2 LYS 75 1HG LYS 75 -12.453 -0.345 7.246 540 HG3 LYS 75 2HG LYS 75 -14.217 -0.297 7.212 541 HD2 LYS 75 1HD LYS 75 -14.028 -0.228 4.686 542 HD3 LYS 75 2HD LYS 75 -12.319 -0.619 4.897 543 HE2 LYS 75 1HE LYS 75 -13.430 -2.673 4.518 544 HE3 LYS 75 2HE LYS 75 -13.071 -2.618 6.242 545 HZ1 LYS 75 1HZ LYS 75 -15.472 -3.201 5.233 546 HZ2 LYS 75 2HZ LYS 75 -15.649 -1.538 5.483 547 HZ3 LYS 75 3HZ LYS 75 -15.235 -2.548 6.775 548 H TYR 76 H TYR 76 -10.407 2.846 7.293 549 HA TYR 76 HA TYR 76 -9.257 0.552 8.705 550 HB2 TYR 76 1HB TYR 76 -8.138 2.459 6.654 551 HB3 TYR 76 2HB TYR 76 -7.127 1.319 7.535 552 HD1 TYR 76 1HD TYR 76 -8.002 -1.188 7.463 553 HD2 TYR 76 2HD TYR 76 -8.976 1.808 4.603 554 HE1 TYR 76 1HE TYR 76 -8.534 -2.939 5.818 555 HE2 TYR 76 2HE TYR 76 -9.512 0.066 2.952 556 HH TYR 76 HH TYR 76 -9.638 -2.107 2.544 557 H SER 77 H SER 77 -10.340 2.971 10.032 558 HA SER 77 HA SER 77 -9.722 4.635 11.510 559 HB2 SER 77 1HB SER 77 -9.688 2.563 12.838 560 HB3 SER 77 2HB SER 77 -7.990 2.324 12.425 561 HG SER 77 HG SER 77 -9.131 4.401 13.979 562 H VAL 78 H VAL 78 -8.274 4.909 9.111 563 HA VAL 78 HA VAL 78 -5.489 5.320 9.756 564 HB VAL 78 HB VAL 78 -6.895 6.312 7.285 565 HG11 VAL 78 1HG1 VAL 78 -4.835 6.602 6.386 566 HG12 VAL 78 2HG1 VAL 78 -4.383 6.775 8.083 567 HG13 VAL 78 3HG1 VAL 78 -4.142 5.235 7.258 568 HG21 VAL 78 1HG2 VAL 78 -6.738 4.243 6.254 569 HG22 VAL 78 2HG2 VAL 78 -5.565 3.635 7.423 570 HG23 VAL 78 3HG2 VAL 78 -7.258 3.815 7.885 571 H ARG 79 H ARG 79 -5.017 6.963 11.079 572 HA ARG 79 HA ARG 79 -6.186 9.596 10.465 573 HB2 ARG 79 1HB ARG 79 -6.176 10.148 12.817 574 HB3 ARG 79 2HB ARG 79 -7.073 8.655 12.580 575 HG2 ARG 79 1HG ARG 79 -4.188 8.450 13.240 576 HG3 ARG 79 2HG ARG 79 -5.305 8.932 14.518 577 HD2 ARG 79 1HD ARG 79 -5.655 6.481 12.801 578 HD3 ARG 79 2HD ARG 79 -4.879 6.474 14.385 579 HE ARG 79 HE ARG 79 -7.680 6.556 13.848 580 HH11 ARG 79 2HH1 ARG 79 -5.222 7.571 16.094 581 HH12 ARG 79 1HH1 ARG 79 -6.305 7.653 17.444 582 HH21 ARG 79 2HH2 ARG 79 -9.117 6.661 15.617 583 HH22 ARG 79 1HH2 ARG 79 -8.521 7.135 17.172 584 H GLY 80 H GLY 80 -3.378 7.721 11.285 585 HA2 GLY 80 1HA GLY 80 -1.713 10.145 11.319 586 HA3 GLY 80 2HA GLY 80 -1.222 8.562 11.903 587 H TYR 81 H TYR 81 -1.352 10.691 9.220 588 HA TYR 81 HA TYR 81 -0.433 8.611 7.375 589 HB2 TYR 81 1HB TYR 81 -0.822 11.453 6.537 590 HB3 TYR 81 2HB TYR 81 -1.086 9.972 5.624 591 HD1 TYR 81 1HD TYR 81 -2.962 8.409 6.953 592 HD2 TYR 81 2HD TYR 81 -2.746 12.657 6.892 593 HE1 TYR 81 1HE TYR 81 -5.369 8.533 7.444 594 HE2 TYR 81 2HE TYR 81 -5.152 12.793 7.383 595 HH TYR 81 HH TYR 81 -6.885 10.756 8.668 596 HA PRO 82 HA PRO 82 0.528 8.884 5.228 597 HB2 PRO 82 1HB PRO 82 2.648 7.343 4.522 598 HB3 PRO 82 2HB PRO 82 2.447 9.012 3.973 599 HG2 PRO 82 1HG PRO 82 4.133 7.940 6.203 600 HG3 PRO 82 2HG PRO 82 4.536 9.166 4.985 601 HD2 PRO 82 1HD PRO 82 3.804 9.808 7.512 602 HD3 PRO 82 2HD PRO 82 3.421 10.837 6.116 603 H THR 83 H THR 83 -0.262 6.776 5.036 604 HA THR 83 HA THR 83 0.401 4.944 7.245 605 HB THR 83 HB THR 83 -2.375 5.254 6.101 606 HG1 THR 83 1HG THR 83 -1.438 6.276 8.587 607 HG21 THR 83 1HG2 THR 83 -2.763 3.384 7.251 608 HG22 THR 83 2HG2 THR 83 -2.392 4.266 8.733 609 HG23 THR 83 3HG2 THR 83 -1.119 3.387 7.887 610 H LEU 84 H LEU 84 0.600 2.810 6.741 611 HA LEU 84 HA LEU 84 -0.007 2.001 3.979 612 HB2 LEU 84 1HB LEU 84 2.384 0.903 5.384 613 HB3 LEU 84 2HB LEU 84 2.055 1.018 3.656 614 HG LEU 84 HG LEU 84 2.547 3.487 5.282 615 HD11 LEU 84 1HD1 LEU 84 4.567 1.521 4.262 616 HD12 LEU 84 2HD1 LEU 84 4.473 2.300 5.841 617 HD13 LEU 84 3HD1 LEU 84 4.950 3.235 4.424 618 HD21 LEU 84 1HD2 LEU 84 2.954 4.505 3.252 619 HD22 LEU 84 2HD2 LEU 84 1.684 3.356 2.830 620 HD23 LEU 84 3HD2 LEU 84 3.367 2.988 2.452 621 H LEU 85 H LEU 85 -0.803 -0.044 3.710 622 HA LEU 85 HA LEU 85 -0.874 -1.856 5.995 623 HB2 LEU 85 1HB LEU 85 -3.301 -0.764 4.597 624 HB3 LEU 85 2HB LEU 85 -3.333 -2.243 5.555 625 HG LEU 85 HG LEU 85 -2.468 0.395 6.710 626 HD11 LEU 85 1HD1 LEU 85 -4.894 0.195 5.668 627 HD12 LEU 85 2HD1 LEU 85 -4.602 1.011 7.202 628 HD13 LEU 85 3HD1 LEU 85 -5.206 -0.646 7.186 629 HD21 LEU 85 1HD2 LEU 85 -3.155 -0.720 8.815 630 HD22 LEU 85 2HD2 LEU 85 -1.821 -1.533 7.996 631 HD23 LEU 85 3HD2 LEU 85 -3.453 -2.197 7.896 632 H LEU 86 H LEU 86 -1.101 -4.020 5.451 633 HA LEU 86 HA LEU 86 -0.793 -4.598 2.587 634 HB2 LEU 86 1HB LEU 86 1.013 -5.271 4.188 635 HB3 LEU 86 2HB LEU 86 -0.138 -6.385 4.922 636 HG LEU 86 HG LEU 86 -0.318 -7.499 2.664 637 HD11 LEU 86 1HD1 LEU 86 0.495 -5.878 1.172 638 HD12 LEU 86 2HD1 LEU 86 1.741 -7.125 1.224 639 HD13 LEU 86 3HD1 LEU 86 1.961 -5.621 2.118 640 HD21 LEU 86 1HD2 LEU 86 0.898 -8.801 4.073 641 HD22 LEU 86 2HD2 LEU 86 2.035 -7.511 4.466 642 HD23 LEU 86 3HD2 LEU 86 2.179 -8.380 2.937 643 H PHE 87 H PHE 87 -1.969 -6.253 1.603 644 HA PHE 87 HA PHE 87 -4.129 -7.479 3.148 645 HB2 PHE 87 1HB PHE 87 -4.532 -5.923 0.585 646 HB3 PHE 87 2HB PHE 87 -5.758 -6.932 1.346 647 HD1 PHE 87 2HD PHE 87 -6.828 -6.245 3.414 648 HD2 PHE 87 1HD PHE 87 -3.921 -3.787 1.508 649 HE1 PHE 87 2HE PHE 87 -7.540 -4.337 4.795 650 HE2 PHE 87 1HE PHE 87 -4.629 -1.876 2.887 651 HZ PHE 87 HZ PHE 87 -6.442 -2.149 4.531 652 H ARG 88 H ARG 88 -3.985 -9.593 2.843 653 HA ARG 88 HA ARG 88 -3.215 -10.581 0.176 654 HB2 ARG 88 1HB ARG 88 -1.452 -10.883 1.949 655 HB3 ARG 88 2HB ARG 88 -2.576 -11.936 2.797 656 HG2 ARG 88 1HG ARG 88 -2.492 -13.567 1.117 657 HG3 ARG 88 2HG ARG 88 -1.759 -12.454 -0.041 658 HD2 ARG 88 1HD ARG 88 0.261 -12.369 1.386 659 HD3 ARG 88 2HD ARG 88 -0.473 -13.567 2.450 660 HE ARG 88 HE ARG 88 -0.343 -14.424 -0.280 661 HH11 ARG 88 2HH1 ARG 88 1.435 -14.164 2.701 662 HH12 ARG 88 1HH1 ARG 88 2.513 -15.466 2.324 663 HH21 ARG 88 2HH2 ARG 88 1.071 -16.141 -0.788 664 HH22 ARG 88 1HH2 ARG 88 2.306 -16.590 0.339 665 H GLY 89 H GLY 89 -4.889 -11.538 -0.765 666 HA2 GLY 89 1HA GLY 89 -6.561 -13.119 -1.059 667 HA3 GLY 89 2HA GLY 89 -6.365 -13.594 0.622 668 H GLY 90 H GLY 90 -6.825 -10.243 -0.048 669 HA2 GLY 90 1HA GLY 90 -8.695 -8.878 0.097 670 HA3 GLY 90 2HA GLY 90 -9.701 -10.317 0.173 671 H LYS 91 H LYS 91 -7.001 -9.756 2.328 672 HA LYS 91 HA LYS 91 -8.747 -8.855 4.471 673 HB2 LYS 91 1HB LYS 91 -8.339 -10.654 5.944 674 HB3 LYS 91 2HB LYS 91 -8.772 -11.401 4.412 675 HG2 LYS 91 1HG LYS 91 -6.970 -12.670 4.944 676 HG3 LYS 91 2HG LYS 91 -6.147 -11.371 4.075 677 HD2 LYS 91 1HD LYS 91 -4.863 -11.442 5.963 678 HD3 LYS 91 2HD LYS 91 -6.088 -10.286 6.488 679 HE2 LYS 91 1HE LYS 91 -7.125 -11.808 7.869 680 HE3 LYS 91 2HE LYS 91 -6.546 -13.197 6.949 681 HZ1 LYS 91 1HZ LYS 91 -4.576 -11.528 8.334 682 HZ2 LYS 91 2HZ LYS 91 -4.549 -13.190 8.016 683 HZ3 LYS 91 3HZ LYS 91 -5.520 -12.583 9.261 684 H LYS 92 H LYS 92 -7.694 -7.706 6.041 685 HA LYS 92 HA LYS 92 -5.197 -6.581 5.428 686 HB2 LYS 92 1HB LYS 92 -5.403 -5.357 7.425 687 HB3 LYS 92 2HB LYS 92 -7.061 -5.636 6.908 688 HG2 LYS 92 1HG LYS 92 -6.836 -7.742 8.472 689 HG3 LYS 92 2HG LYS 92 -5.578 -6.757 9.222 690 HD2 LYS 92 1HD LYS 92 -8.299 -5.627 8.671 691 HD3 LYS 92 2HD LYS 92 -7.991 -6.584 10.122 692 HE2 LYS 92 1HE LYS 92 -6.163 -5.038 10.715 693 HE3 LYS 92 2HE LYS 92 -6.548 -4.065 9.297 694 HZ1 LYS 92 1HZ LYS 92 -8.602 -3.445 10.201 695 HZ2 LYS 92 2HZ LYS 92 -7.513 -3.312 11.490 696 HZ3 LYS 92 3HZ LYS 92 -8.552 -4.643 11.396 697 H VAL 93 H VAL 93 -3.203 -7.321 5.699 698 HA VAL 93 HA VAL 93 -2.770 -9.749 7.239 699 HB VAL 93 HB VAL 93 -0.724 -8.194 5.657 700 HG11 VAL 93 1HG1 VAL 93 -0.490 -10.379 7.373 701 HG12 VAL 93 2HG1 VAL 93 -0.419 -11.061 5.747 702 HG13 VAL 93 3HG1 VAL 93 0.713 -9.795 6.224 703 HG21 VAL 93 1HG2 VAL 93 -1.437 -9.078 3.716 704 HG22 VAL 93 2HG2 VAL 93 -1.887 -10.612 4.458 705 HG23 VAL 93 3HG2 VAL 93 -2.979 -9.230 4.558 706 H SER 94 H SER 94 -0.878 -6.740 6.948 707 HA SER 94 HA SER 94 -0.819 -6.440 9.833 708 HB2 SER 94 1HB SER 94 1.074 -8.042 9.080 709 HB3 SER 94 2HB SER 94 1.834 -6.594 8.420 710 HG SER 94 HG SER 94 1.215 -7.200 11.106 711 H GLU 95 H GLU 95 0.257 -4.424 10.497 712 HA GLU 95 HA GLU 95 -0.027 -2.380 8.405 713 HB2 GLU 95 1HB GLU 95 -1.509 -2.222 10.412 714 HB3 GLU 95 2HB GLU 95 -0.073 -2.003 11.402 715 HG2 GLU 95 1HG GLU 95 0.437 -0.017 9.857 716 HG3 GLU 95 2HG GLU 95 -1.251 -0.155 9.368 717 H HIS 96 H HIS 96 1.805 -1.639 7.586 718 HA HIS 96 HA HIS 96 4.360 -2.170 8.520 719 HB2 HIS 96 1HB HIS 96 3.574 -1.249 6.228 720 HB3 HIS 96 2HB HIS 96 3.747 0.336 6.977 721 HD1 HIS 96 1HD HIS 96 6.339 0.171 8.430 722 HD2 HIS 96 2HD HIS 96 5.778 -1.594 4.712 723 HE1 HIS 96 1HE HIS 96 8.640 -0.075 7.449 724 HE2 HIS 96 2HE HIS 96 8.269 -1.066 5.164 725 H SER 97 H SER 97 5.618 -1.348 10.067 726 HA SER 97 HA SER 97 4.813 1.202 11.305 727 HB2 SER 97 1HB SER 97 5.906 -1.259 12.690 728 HB3 SER 97 2HB SER 97 5.601 0.291 13.473 729 HG SER 97 HG SER 97 3.366 -0.125 12.433 730 H GLY 98 H GLY 98 7.476 -1.018 10.602 731 HA2 GLY 98 1HA GLY 98 9.607 0.491 11.551 732 HA3 GLY 98 2HA GLY 98 9.701 -0.623 10.196 733 H GLY 99 H GLY 99 11.363 1.311 9.874 734 HA2 GLY 99 1HA GLY 99 10.812 3.819 9.084 735 HA3 GLY 99 2HA GLY 99 11.949 2.810 8.203 736 H ARG 100 H ARG 100 10.292 4.893 7.121 737 HA ARG 100 HA ARG 100 8.390 3.372 5.477 738 HB2 ARG 100 1HB ARG 100 8.637 6.322 6.065 739 HB3 ARG 100 2HB ARG 100 7.573 5.682 4.819 740 HG2 ARG 100 1HG ARG 100 6.531 4.264 6.650 741 HG3 ARG 100 2HG ARG 100 7.412 5.288 7.788 742 HD2 ARG 100 1HD ARG 100 6.316 7.229 6.414 743 HD3 ARG 100 2HD ARG 100 5.163 5.979 5.951 744 HE ARG 100 HE ARG 100 5.368 7.275 8.491 745 HH11 ARG 100 2HH1 ARG 100 4.439 4.325 6.893 746 HH12 ARG 100 1HH1 ARG 100 3.321 3.853 8.129 747 HH21 ARG 100 2HH2 ARG 100 3.899 6.666 10.126 748 HH22 ARG 100 1HH2 ARG 100 3.015 5.186 9.967 749 H ASP 101 H ASP 101 11.483 3.961 5.312 750 HA ASP 101 HA ASP 101 11.879 5.341 2.875 751 HB2 ASP 101 1HB ASP 101 13.680 3.238 4.089 752 HB3 ASP 101 2HB ASP 101 14.142 4.505 2.957 753 H LEU 102 H LEU 102 12.509 4.483 0.823 754 HA LEU 102 HA LEU 102 10.818 2.697 -0.335 755 HB2 LEU 102 1HB LEU 102 12.215 4.064 -1.689 756 HB3 LEU 102 2HB LEU 102 13.676 3.330 -1.031 757 HG LEU 102 HG LEU 102 13.268 1.295 -2.229 758 HD11 LEU 102 1HD1 LEU 102 11.179 0.652 -2.609 759 HD12 LEU 102 2HD1 LEU 102 11.108 1.837 -3.913 760 HD13 LEU 102 3HD1 LEU 102 10.563 2.276 -2.294 761 HD21 LEU 102 1HD2 LEU 102 14.400 2.535 -3.739 762 HD22 LEU 102 2HD2 LEU 102 13.258 3.876 -3.659 763 HD23 LEU 102 3HD2 LEU 102 12.877 2.449 -4.623 764 H ASP 103 H ASP 103 14.049 1.933 0.945 765 HA ASP 103 HA ASP 103 13.938 -0.829 0.386 766 HB2 ASP 103 1HB ASP 103 15.622 0.924 2.115 767 HB3 ASP 103 2HB ASP 103 15.676 -0.814 2.399 768 H SER 104 H SER 104 13.093 1.048 3.265 769 HA SER 104 HA SER 104 12.541 -1.117 4.966 770 HB2 SER 104 1HB SER 104 11.432 1.698 4.942 771 HB3 SER 104 2HB SER 104 11.167 0.545 6.250 772 HG SER 104 HG SER 104 13.301 0.602 6.745 773 H LEU 105 H LEU 105 10.834 0.125 2.277 774 HA LEU 105 HA LEU 105 8.276 -0.985 3.094 775 HB2 LEU 105 1HB LEU 105 9.183 0.407 0.582 776 HB3 LEU 105 2HB LEU 105 7.549 -0.206 0.828 777 HG LEU 105 HG LEU 105 8.784 1.829 2.664 778 HD11 LEU 105 1HD1 LEU 105 6.901 2.644 0.516 779 HD12 LEU 105 2HD1 LEU 105 8.599 2.415 0.099 780 HD13 LEU 105 3HD1 LEU 105 8.147 3.577 1.345 781 HD21 LEU 105 1HD2 LEU 105 6.496 0.336 2.866 782 HD22 LEU 105 2HD2 LEU 105 5.912 1.837 2.147 783 HD23 LEU 105 3HD2 LEU 105 6.791 1.875 3.675 784 H HIS 106 H HIS 106 10.911 -1.697 0.880 785 HA HIS 106 HA HIS 106 9.583 -3.861 -0.432 786 HB2 HIS 106 1HB HIS 106 11.560 -2.480 -1.307 787 HB3 HIS 106 2HB HIS 106 12.569 -3.488 -0.275 788 HD1 HIS 106 1HD HIS 106 13.637 -5.265 -1.601 789 HD2 HIS 106 2HD HIS 106 9.800 -4.432 -2.962 790 HE1 HIS 106 1HE HIS 106 13.246 -6.845 -3.517 791 HE2 HIS 106 2HE HIS 106 10.952 -6.265 -4.379 792 H ARG 107 H ARG 107 12.161 -3.706 2.022 793 HA ARG 107 HA ARG 107 12.434 -6.455 2.423 794 HB2 ARG 107 1HB ARG 107 13.533 -5.899 4.504 795 HB3 ARG 107 2HB ARG 107 14.012 -4.742 3.269 796 HG2 ARG 107 1HG ARG 107 13.622 -3.324 5.002 797 HG3 ARG 107 2HG ARG 107 12.012 -3.354 4.279 798 HD2 ARG 107 1HD ARG 107 11.447 -3.752 6.450 799 HD3 ARG 107 2HD ARG 107 11.718 -5.410 5.918 800 HE ARG 107 HE ARG 107 14.109 -4.267 6.926 801 HH11 ARG 107 2HH1 ARG 107 11.053 -5.600 7.927 802 HH12 ARG 107 1HH1 ARG 107 11.638 -6.120 9.473 803 HH21 ARG 107 2HH2 ARG 107 14.891 -4.946 8.958 804 HH22 ARG 107 1HH2 ARG 107 13.821 -5.747 10.059 805 H PHE 108 H PHE 108 10.229 -4.122 3.882 806 HA PHE 108 HA PHE 108 9.176 -5.696 5.921 807 HB2 PHE 108 1HB PHE 108 8.633 -3.367 5.845 808 HB3 PHE 108 2HB PHE 108 7.908 -3.526 4.248 809 HD1 PHE 108 1HD PHE 108 7.468 -4.184 7.828 810 HD2 PHE 108 2HD PHE 108 5.675 -4.341 3.972 811 HE1 PHE 108 1HE PHE 108 5.269 -4.546 8.870 812 HE2 PHE 108 2HE PHE 108 3.472 -4.702 5.007 813 HZ PHE 108 HZ PHE 108 3.267 -4.805 7.459 814 H VAL 109 H VAL 109 7.749 -5.167 2.692 815 HA VAL 109 HA VAL 109 5.731 -7.078 2.897 816 HB VAL 109 HB VAL 109 7.179 -6.209 0.391 817 HG11 VAL 109 1HG1 VAL 109 4.730 -6.734 -0.473 818 HG12 VAL 109 2HG1 VAL 109 5.972 -7.985 -0.380 819 HG13 VAL 109 3HG1 VAL 109 4.755 -7.853 0.890 820 HG21 VAL 109 1HG2 VAL 109 5.467 -4.532 0.156 821 HG22 VAL 109 2HG2 VAL 109 4.645 -5.110 1.606 822 HG23 VAL 109 3HG2 VAL 109 6.232 -4.350 1.735 823 H LEU 110 H LEU 110 9.046 -7.395 1.690 824 HA LEU 110 HA LEU 110 8.928 -9.987 0.711 825 HB2 LEU 110 1HB LEU 110 11.135 -8.391 1.963 826 HB3 LEU 110 2HB LEU 110 11.401 -10.051 1.428 827 HG LEU 110 HG LEU 110 10.406 -7.877 -0.404 828 HD11 LEU 110 1HD1 LEU 110 12.465 -7.003 0.084 829 HD12 LEU 110 2HD1 LEU 110 12.887 -8.110 -1.221 830 HD13 LEU 110 3HD1 LEU 110 13.170 -8.578 0.455 831 HD21 LEU 110 1HD2 LEU 110 10.146 -9.572 -1.813 832 HD22 LEU 110 2HD2 LEU 110 10.807 -10.708 -0.635 833 HD23 LEU 110 3HD2 LEU 110 11.886 -9.854 -1.739 834 H SER 111 H SER 111 9.346 -8.843 4.015 835 HA SER 111 HA SER 111 9.785 -11.492 5.066 836 HB2 SER 111 1HB SER 111 9.550 -8.747 6.239 837 HB3 SER 111 2HB SER 111 9.376 -10.150 7.293 838 HG SER 111 HG SER 111 11.612 -9.059 6.375 839 H GLN 112 H GLN 112 7.162 -9.097 5.193 840 HA GLN 112 HA GLN 112 5.340 -10.357 6.780 841 HB2 GLN 112 1HB GLN 112 5.047 -8.633 4.355 842 HB3 GLN 112 2HB GLN 112 3.612 -9.371 5.054 843 HG2 GLN 112 1HG GLN 112 5.520 -7.464 6.378 844 HG3 GLN 112 2HG GLN 112 3.833 -7.181 5.953 845 HE21 GLN 112 1HE2 GLN 112 5.915 -7.995 8.398 846 HE22 GLN 112 2HE2 GLN 112 4.780 -8.666 9.516 847 H ALA 113 H ALA 113 5.364 -10.705 3.227 848 HA ALA 113 HA ALA 113 3.537 -12.803 3.094 849 HB1 ALA 113 1HB ALA 113 5.139 -13.261 0.931 850 HB2 ALA 113 2HB ALA 113 3.819 -12.093 0.989 851 HB3 ALA 113 3HB ALA 113 5.475 -11.566 1.287 852 H LYS 114 H LYS 114 7.094 -12.932 3.160 853 HA LYS 114 HA LYS 114 7.227 -15.770 3.142 854 HB2 LYS 114 1HB LYS 114 9.181 -13.571 3.731 855 HB3 LYS 114 2HB LYS 114 9.613 -15.243 4.063 856 HG2 LYS 114 1HG LYS 114 9.003 -15.733 1.655 857 HG3 LYS 114 2HG LYS 114 8.955 -13.985 1.417 858 HD2 LYS 114 1HD LYS 114 11.350 -15.288 2.658 859 HD3 LYS 114 2HD LYS 114 11.146 -15.274 0.904 860 HE2 LYS 114 1HE LYS 114 12.324 -13.337 1.165 861 HE3 LYS 114 2HE LYS 114 10.686 -12.708 1.337 862 HZ1 LYS 114 1HZ LYS 114 11.720 -13.607 3.830 863 HZ2 LYS 114 2HZ LYS 114 11.107 -12.088 3.411 864 HZ3 LYS 114 3HZ LYS 114 12.738 -12.447 3.139 865 H ASP 115 H ASP 115 5.882 -16.559 4.762 866 HA ASP 115 HA ASP 115 6.605 -15.888 7.528 867 HB2 ASP 115 1HB ASP 115 4.177 -15.768 6.627 868 HB3 ASP 115 2HB ASP 115 4.212 -17.525 6.741 869 H GLU 116 H GLU 116 7.331 -17.407 8.945 870 HA GLU 116 HA GLU 116 8.391 -19.836 7.811 871 HB2 GLU 116 1HB GLU 116 9.649 -18.453 9.458 872 HB3 GLU 116 2HB GLU 116 8.461 -18.887 10.680 873 HG2 GLU 116 1HG GLU 116 9.861 -21.059 9.210 874 HG3 GLU 116 2HG GLU 116 10.728 -20.180 10.468 875 H LEU 117 H LEU 117 5.465 -18.965 9.162 876 HA LEU 117 HA LEU 117 4.656 -20.929 10.856 877 HB2 LEU 117 1HB LEU 117 3.362 -18.967 9.715 878 HB3 LEU 117 2HB LEU 117 2.869 -20.214 8.571 879 HG LEU 117 HG LEU 117 1.167 -19.850 10.275 880 HD11 LEU 117 1HD1 LEU 117 0.634 -22.024 10.349 881 HD12 LEU 117 2HD1 LEU 117 2.140 -22.471 11.149 882 HD13 LEU 117 3HD1 LEU 117 2.104 -22.250 9.400 883 HD21 LEU 117 1HD2 LEU 117 3.229 -19.428 11.997 884 HD22 LEU 117 2HD2 LEU 117 2.719 -21.053 12.454 885 HD23 LEU 117 3HD2 LEU 117 1.559 -19.725 12.481 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.556 -13.009 -15.048 2 HA2 GLY 1 1HA GLY 1 1.167 -11.916 -17.054 3 HA3 GLY 1 2HA GLY 1 -0.503 -12.147 -16.556 4 H SER 2 H SER 2 1.549 -9.910 -17.689 5 HA SER 2 HA SER 2 0.675 -7.684 -16.037 6 HB2 SER 2 1HB SER 2 2.492 -7.837 -18.452 7 HB3 SER 2 2HB SER 2 2.091 -6.333 -17.623 8 HG SER 2 HG SER 2 3.072 -7.128 -15.770 9 H SER 3 H SER 3 -1.452 -8.970 -17.263 10 HA SER 3 HA SER 3 -2.363 -8.215 -19.699 11 HB2 SER 3 1HB SER 3 -4.671 -8.141 -18.662 12 HB3 SER 3 2HB SER 3 -3.741 -9.599 -18.317 13 HG SER 3 HG SER 3 -3.319 -8.835 -16.277 14 H GLY 4 H GLY 4 -2.854 -6.275 -16.740 15 HA2 GLY 4 1HA GLY 4 -2.398 -3.825 -18.178 16 HA3 GLY 4 2HA GLY 4 -4.090 -4.074 -17.771 17 H SER 5 H SER 5 -0.977 -3.187 -16.615 18 HA SER 5 HA SER 5 -2.168 -2.352 -14.086 19 HB2 SER 5 1HB SER 5 -1.018 -4.682 -13.911 20 HB3 SER 5 2HB SER 5 0.485 -3.763 -14.004 21 HG SER 5 HG SER 5 0.200 -3.153 -12.018 22 H SER 6 H SER 6 -1.427 -0.425 -13.406 23 HA SER 6 HA SER 6 0.012 1.259 -15.067 24 HB2 SER 6 1HB SER 6 -0.267 1.451 -12.058 25 HB3 SER 6 2HB SER 6 0.189 2.771 -13.134 26 HG SER 6 HG SER 6 -2.183 1.403 -13.677 27 H GLY 7 H GLY 7 2.094 2.407 -14.428 28 HA2 GLY 7 1HA GLY 7 4.074 0.370 -13.608 29 HA3 GLY 7 2HA GLY 7 4.381 1.592 -14.834 30 H THR 8 H THR 8 2.580 2.921 -12.358 31 HA THR 8 HA THR 8 4.981 3.798 -10.901 32 HB THR 8 HB THR 8 3.852 6.064 -10.692 33 HG1 THR 8 1HG THR 8 2.355 5.050 -12.900 34 HG21 THR 8 1HG2 THR 8 5.233 6.767 -12.310 35 HG22 THR 8 2HG2 THR 8 4.353 5.882 -13.556 36 HG23 THR 8 3HG2 THR 8 5.583 5.062 -12.596 37 H VAL 9 H VAL 9 1.430 4.162 -10.778 38 HA VAL 9 HA VAL 9 1.319 2.869 -8.199 39 HB VAL 9 HB VAL 9 0.597 5.795 -8.428 40 HG11 VAL 9 1HG1 VAL 9 0.391 4.005 -6.013 41 HG12 VAL 9 2HG1 VAL 9 -0.142 5.681 -6.160 42 HG13 VAL 9 3HG1 VAL 9 -0.970 4.410 -7.059 43 HG21 VAL 9 1HG2 VAL 9 2.730 4.391 -6.822 44 HG22 VAL 9 2HG2 VAL 9 2.989 5.464 -8.197 45 HG23 VAL 9 3HG2 VAL 9 2.321 6.101 -6.695 46 H LEU 10 H LEU 10 -0.506 1.742 -8.108 47 HA LEU 10 HA LEU 10 -2.516 2.039 -10.122 48 HB2 LEU 10 1HB LEU 10 -2.573 0.335 -7.638 49 HB3 LEU 10 2HB LEU 10 -3.598 0.156 -9.060 50 HG LEU 10 HG LEU 10 -0.607 -0.200 -9.123 51 HD11 LEU 10 1HD1 LEU 10 -2.701 -2.356 -8.925 52 HD12 LEU 10 2HD1 LEU 10 -1.701 -1.811 -7.578 53 HD13 LEU 10 3HD1 LEU 10 -0.949 -2.565 -8.984 54 HD21 LEU 10 1HD2 LEU 10 -2.501 0.087 -11.143 55 HD22 LEU 10 2HD2 LEU 10 -2.186 -1.647 -11.058 56 HD23 LEU 10 3HD2 LEU 10 -0.852 -0.518 -11.308 57 H ALA 11 H ALA 11 -4.716 2.547 -9.826 58 HA ALA 11 HA ALA 11 -5.247 4.211 -7.452 59 HB1 ALA 11 1HB ALA 11 -6.476 4.460 -10.194 60 HB2 ALA 11 2HB ALA 11 -6.757 5.525 -8.816 61 HB3 ALA 11 3HB ALA 11 -5.165 5.461 -9.571 62 H LEU 12 H LEU 12 -6.654 3.372 -6.072 63 HA LEU 12 HA LEU 12 -8.616 1.417 -7.057 64 HB2 LEU 12 1HB LEU 12 -7.735 1.905 -4.218 65 HB3 LEU 12 2HB LEU 12 -8.746 0.585 -4.802 66 HG LEU 12 HG LEU 12 -5.790 0.978 -5.126 67 HD11 LEU 12 1HD1 LEU 12 -7.450 -0.581 -3.458 68 HD12 LEU 12 2HD1 LEU 12 -5.690 -0.596 -3.572 69 HD13 LEU 12 3HD1 LEU 12 -6.648 -1.683 -4.578 70 HD21 LEU 12 1HD2 LEU 12 -6.519 0.475 -7.345 71 HD22 LEU 12 2HD2 LEU 12 -7.601 -0.790 -6.763 72 HD23 LEU 12 3HD2 LEU 12 -5.853 -1.001 -6.648 73 H THR 13 H THR 13 -10.782 1.638 -6.625 74 HA THR 13 HA THR 13 -11.620 4.149 -5.329 75 HB THR 13 HB THR 13 -13.417 4.407 -6.927 76 HG1 THR 13 1HG THR 13 -12.417 2.276 -8.484 77 HG21 THR 13 1HG2 THR 13 -12.099 5.443 -8.414 78 HG22 THR 13 2HG2 THR 13 -11.344 3.931 -8.920 79 HG23 THR 13 3HG2 THR 13 -10.745 4.784 -7.497 80 H GLU 14 H GLU 14 -13.939 4.098 -4.629 81 HA GLU 14 HA GLU 14 -14.396 1.955 -2.890 82 HB2 GLU 14 1HB GLU 14 -15.339 4.358 -2.836 83 HB3 GLU 14 2HB GLU 14 -16.598 3.738 -3.895 84 HG2 GLU 14 1HG GLU 14 -15.996 2.338 -1.331 85 HG3 GLU 14 2HG GLU 14 -16.968 3.808 -1.328 86 H ASN 15 H ASN 15 -14.840 2.125 -6.215 87 HA ASN 15 HA ASN 15 -17.000 0.157 -6.258 88 HB2 ASN 15 1HB ASN 15 -17.254 1.950 -7.841 89 HB3 ASN 15 2HB ASN 15 -15.624 1.705 -8.459 90 HD21 ASN 15 1HD2 ASN 15 -15.922 1.103 -10.497 91 HD22 ASN 15 2HD2 ASN 15 -16.907 -0.219 -11.015 92 H ASN 16 H ASN 16 -13.579 0.484 -6.931 93 HA ASN 16 HA ASN 16 -13.428 -2.432 -7.258 94 HB2 ASN 16 1HB ASN 16 -11.557 -2.021 -8.923 95 HB3 ASN 16 2HB ASN 16 -13.180 -1.633 -9.488 96 HD21 ASN 16 1HD2 ASN 16 -10.274 -0.214 -8.081 97 HD22 ASN 16 2HD2 ASN 16 -10.458 1.337 -8.819 98 H PHE 17 H PHE 17 -13.028 -1.062 -4.870 99 HA PHE 17 HA PHE 17 -10.136 -0.837 -4.533 100 HB2 PHE 17 1HB PHE 17 -11.208 0.938 -3.448 101 HB3 PHE 17 2HB PHE 17 -12.504 -0.090 -2.843 102 HD1 PHE 17 1HD PHE 17 -11.886 -1.840 -1.078 103 HD2 PHE 17 2HD PHE 17 -9.396 1.457 -2.099 104 HE1 PHE 17 1HE PHE 17 -10.702 -2.075 1.066 105 HE2 PHE 17 2HE PHE 17 -8.208 1.228 0.044 106 HZ PHE 17 HZ PHE 17 -8.859 -0.540 1.629 107 H ASP 18 H ASP 18 -12.770 -2.972 -3.850 108 HA ASP 18 HA ASP 18 -11.208 -4.544 -1.957 109 HB2 ASP 18 1HB ASP 18 -13.198 -5.770 -1.527 110 HB3 ASP 18 2HB ASP 18 -13.684 -4.083 -1.660 111 H ASP 19 H ASP 19 -12.449 -4.715 -5.239 112 HA ASP 19 HA ASP 19 -11.856 -7.421 -5.743 113 HB2 ASP 19 1HB ASP 19 -13.263 -5.763 -7.139 114 HB3 ASP 19 2HB ASP 19 -11.727 -5.281 -7.855 115 H THR 20 H THR 20 -9.964 -4.466 -6.243 116 HA THR 20 HA THR 20 -7.758 -5.605 -7.519 117 HB THR 20 HB THR 20 -7.858 -3.216 -5.669 118 HG1 THR 20 1HG THR 20 -9.110 -3.078 -7.620 119 HG21 THR 20 1HG2 THR 20 -5.661 -2.905 -5.942 120 HG22 THR 20 2HG2 THR 20 -5.765 -3.211 -7.675 121 HG23 THR 20 3HG2 THR 20 -5.591 -4.558 -6.552 122 H ILE 21 H ILE 21 -8.326 -5.042 -4.054 123 HA ILE 21 HA ILE 21 -5.857 -6.171 -3.215 124 HB ILE 21 HB ILE 21 -6.911 -6.243 -0.955 125 HG12 ILE 21 1HG1 ILE 21 -9.289 -4.976 -2.327 126 HG13 ILE 21 2HG1 ILE 21 -9.233 -6.665 -1.830 127 HG21 ILE 21 1HG2 ILE 21 -7.300 -3.618 -2.383 128 HG22 ILE 21 2HG2 ILE 21 -6.986 -3.859 -0.666 129 HG23 ILE 21 3HG2 ILE 21 -5.741 -4.247 -1.853 130 HD11 ILE 21 1HD1 ILE 21 -8.816 -5.852 0.506 131 HD12 ILE 21 2HD1 ILE 21 -9.170 -4.226 -0.081 132 HD13 ILE 21 3HD1 ILE 21 -10.407 -5.481 -0.158 133 H ALA 22 H ALA 22 -8.959 -7.495 -4.014 134 HA ALA 22 HA ALA 22 -8.801 -9.936 -2.621 135 HB1 ALA 22 1HB ALA 22 -10.750 -8.790 -3.987 136 HB2 ALA 22 2HB ALA 22 -10.148 -9.844 -5.267 137 HB3 ALA 22 3HB ALA 22 -10.696 -10.536 -3.740 138 H GLU 23 H GLU 23 -7.408 -8.853 -5.637 139 HA GLU 23 HA GLU 23 -6.561 -11.526 -6.383 140 HB2 GLU 23 1HB GLU 23 -6.304 -8.812 -7.646 141 HB3 GLU 23 2HB GLU 23 -5.360 -10.173 -8.237 142 HG2 GLU 23 1HG GLU 23 -7.690 -11.360 -8.319 143 HG3 GLU 23 2HG GLU 23 -8.296 -9.705 -8.358 144 H GLY 24 H GLY 24 -4.713 -12.423 -5.758 145 HA2 GLY 24 1HA GLY 24 -2.733 -12.627 -4.572 146 HA3 GLY 24 2HA GLY 24 -2.193 -11.467 -5.776 147 H ILE 25 H ILE 25 -0.713 -10.632 -4.220 148 HA ILE 25 HA ILE 25 -1.771 -9.380 -1.833 149 HB ILE 25 HB ILE 25 1.028 -9.356 -2.966 150 HG12 ILE 25 1HG1 ILE 25 0.011 -10.885 -0.574 151 HG13 ILE 25 2HG1 ILE 25 0.030 -11.576 -2.193 152 HG21 ILE 25 1HG2 ILE 25 1.103 -8.866 -0.224 153 HG22 ILE 25 2HG2 ILE 25 1.420 -7.714 -1.520 154 HG23 ILE 25 3HG2 ILE 25 -0.200 -7.849 -0.837 155 HD11 ILE 25 1HD1 ILE 25 2.474 -11.181 -2.272 156 HD12 ILE 25 2HD1 ILE 25 2.399 -10.650 -0.590 157 HD13 ILE 25 3HD1 ILE 25 1.971 -12.309 -1.013 158 H THR 26 H THR 26 -2.176 -7.263 -1.539 159 HA THR 26 HA THR 26 -1.388 -5.375 -3.649 160 HB THR 26 HB THR 26 -4.135 -5.478 -2.390 161 HG1 THR 26 1HG THR 26 -3.687 -7.111 -4.017 162 HG21 THR 26 1HG2 THR 26 -2.697 -3.456 -3.955 163 HG22 THR 26 2HG2 THR 26 -4.111 -3.289 -2.915 164 HG23 THR 26 3HG2 THR 26 -4.299 -3.850 -4.576 165 H PHE 27 H PHE 27 -0.067 -3.983 -2.678 166 HA PHE 27 HA PHE 27 -0.457 -3.295 0.124 167 HB2 PHE 27 1HB PHE 27 1.810 -3.820 -1.080 168 HB3 PHE 27 2HB PHE 27 1.714 -2.137 -1.590 169 HD1 PHE 27 1HD PHE 27 0.819 -3.795 1.625 170 HD2 PHE 27 2HD PHE 27 3.267 -0.947 -0.378 171 HE1 PHE 27 1HE PHE 27 1.762 -3.092 3.786 172 HE2 PHE 27 2HE PHE 27 4.215 -0.239 1.780 173 HZ PHE 27 HZ PHE 27 3.463 -1.312 3.865 174 H ILE 28 H ILE 28 -1.827 -1.709 0.579 175 HA ILE 28 HA ILE 28 -2.116 0.519 -1.311 176 HB ILE 28 HB ILE 28 -3.896 -0.283 0.994 177 HG12 ILE 28 1HG1 ILE 28 -4.464 -0.456 -1.967 178 HG13 ILE 28 2HG1 ILE 28 -3.838 -1.808 -1.029 179 HG21 ILE 28 1HG2 ILE 28 -3.966 2.111 0.615 180 HG22 ILE 28 2HG2 ILE 28 -4.243 1.852 -1.107 181 HG23 ILE 28 3HG2 ILE 28 -5.467 1.367 0.066 182 HD11 ILE 28 1HD1 ILE 28 -6.437 -1.405 -1.481 183 HD12 ILE 28 2HD1 ILE 28 -5.820 -2.206 -0.036 184 HD13 ILE 28 3HD1 ILE 28 -6.261 -0.499 0.021 185 H LYS 29 H LYS 29 -2.084 2.680 -0.580 186 HA LYS 29 HA LYS 29 -0.923 3.112 2.086 187 HB2 LYS 29 1HB LYS 29 0.896 3.179 0.441 188 HB3 LYS 29 2HB LYS 29 0.024 4.394 -0.485 189 HG2 LYS 29 1HG LYS 29 0.612 4.977 2.365 190 HG3 LYS 29 2HG LYS 29 1.944 5.036 1.207 191 HD2 LYS 29 1HD LYS 29 -0.644 6.580 1.045 192 HD3 LYS 29 2HD LYS 29 0.944 7.235 1.454 193 HE2 LYS 29 1HE LYS 29 1.571 6.138 -0.880 194 HE3 LYS 29 2HE LYS 29 -0.150 6.382 -1.173 195 HZ1 LYS 29 1HZ LYS 29 0.059 8.672 -0.942 196 HZ2 LYS 29 2HZ LYS 29 1.440 8.244 -1.819 197 HZ3 LYS 29 3HZ LYS 29 1.559 8.570 -0.163 198 H PHE 30 H PHE 30 -2.403 4.247 3.154 199 HA PHE 30 HA PHE 30 -4.139 6.110 1.760 200 HB2 PHE 30 1HB PHE 30 -4.088 5.575 4.728 201 HB3 PHE 30 2HB PHE 30 -5.420 6.200 3.761 202 HD1 PHE 30 1HD PHE 30 -3.370 3.188 4.403 203 HD2 PHE 30 2HD PHE 30 -6.975 4.755 2.770 204 HE1 PHE 30 1HE PHE 30 -4.238 0.901 4.134 205 HE2 PHE 30 2HE PHE 30 -7.850 2.471 2.499 206 HZ PHE 30 HZ PHE 30 -6.481 0.541 3.183 207 H TYR 31 H TYR 31 -3.522 8.131 1.426 208 HA TYR 31 HA TYR 31 -1.956 9.490 3.516 209 HB2 TYR 31 1HB TYR 31 -0.457 10.384 2.001 210 HB3 TYR 31 2HB TYR 31 -0.742 8.798 1.293 211 HD1 TYR 31 2HD TYR 31 -1.393 12.397 0.971 212 HD2 TYR 31 1HD TYR 31 -1.935 8.563 -0.792 213 HE1 TYR 31 2HE TYR 31 -2.083 13.468 -1.133 214 HE2 TYR 31 1HE TYR 31 -2.624 9.623 -2.901 215 HH TYR 31 HH TYR 31 -3.600 11.813 -3.628 216 H ALA 32 H ALA 32 -1.911 11.998 2.787 217 HA ALA 32 HA ALA 32 -4.647 12.780 2.048 218 HB1 ALA 32 1HB ALA 32 -3.306 14.322 4.202 219 HB2 ALA 32 2HB ALA 32 -5.021 14.020 3.923 220 HB3 ALA 32 3HB ALA 32 -4.005 12.757 4.616 221 HA PRO 33 HA PRO 33 -2.476 15.552 -0.627 222 HB2 PRO 33 1HB PRO 33 -4.592 17.102 -1.326 223 HB3 PRO 33 2HB PRO 33 -4.347 15.471 -1.959 224 HG2 PRO 33 1HG PRO 33 -6.129 16.393 0.263 225 HG3 PRO 33 2HG PRO 33 -6.468 15.233 -1.035 226 HD2 PRO 33 1HD PRO 33 -5.820 14.459 1.477 227 HD3 PRO 33 2HD PRO 33 -5.371 13.516 0.042 228 H TRP 34 H TRP 34 -3.598 16.261 2.403 229 HA TRP 34 HA TRP 34 -2.698 19.061 2.209 230 HB2 TRP 34 1HB TRP 34 -4.123 19.426 4.277 231 HB3 TRP 34 2HB TRP 34 -5.004 19.126 2.781 232 HD1 TRP 34 HD TRP 34 -6.558 17.024 2.692 233 HE1 TRP 34 1HE TRP 34 -7.261 15.253 4.423 234 HE3 TRP 34 3HE TRP 34 -3.164 18.087 6.365 235 HZ2 TRP 34 2HZ TRP 34 -6.480 14.418 7.003 236 HZ3 TRP 34 3HZ TRP 34 -3.209 16.755 8.434 237 HH2 TRP 34 HH TRP 34 -4.834 14.959 8.744 238 H CYS 35 H CYS 35 -1.554 16.218 3.010 239 HA CYS 35 HA CYS 35 -0.387 17.021 5.581 240 HB2 CYS 35 1HB CYS 35 -1.513 14.744 5.262 241 HB3 CYS 35 2HB CYS 35 -0.120 14.316 4.275 242 HG CYS 35 HG CYS 35 1.348 15.389 6.821 243 H GLY 36 H GLY 36 1.722 17.507 5.785 244 HA2 GLY 36 1HA GLY 36 3.287 17.818 3.383 245 HA3 GLY 36 2HA GLY 36 3.765 18.281 5.009 246 H HIS 37 H HIS 37 3.603 15.908 6.366 247 HA HIS 37 HA HIS 37 6.037 14.698 5.843 248 HB2 HIS 37 1HB HIS 37 3.632 13.929 7.433 249 HB3 HIS 37 2HB HIS 37 4.873 12.710 7.163 250 HD1 HIS 37 1HD HIS 37 7.412 13.672 7.830 251 HD2 HIS 37 2HD HIS 37 4.099 15.404 9.643 252 HE1 HIS 37 1HE HIS 37 8.292 14.812 9.891 253 HE2 HIS 37 2HE HIS 37 6.258 15.780 11.017 254 H CYS 38 H CYS 38 2.872 13.988 4.542 255 HA CYS 38 HA CYS 38 3.478 11.446 3.453 256 HB2 CYS 38 1HB CYS 38 1.366 13.506 2.854 257 HB3 CYS 38 2HB CYS 38 1.492 12.024 1.914 258 HG CYS 38 HG CYS 38 1.266 11.815 5.298 259 H LYS 39 H LYS 39 4.047 14.703 2.380 260 HA LYS 39 HA LYS 39 4.423 14.278 -0.356 261 HB2 LYS 39 1HB LYS 39 5.816 16.245 1.470 262 HB3 LYS 39 2HB LYS 39 5.820 16.322 -0.288 263 HG2 LYS 39 1HG LYS 39 3.276 16.418 -0.115 264 HG3 LYS 39 2HG LYS 39 3.531 16.755 1.598 265 HD2 LYS 39 1HD LYS 39 4.932 18.686 0.988 266 HD3 LYS 39 2HD LYS 39 4.614 18.360 -0.718 267 HE2 LYS 39 1HE LYS 39 2.300 18.840 -0.461 268 HE3 LYS 39 2HE LYS 39 2.436 18.871 1.296 269 HZ1 LYS 39 1HZ LYS 39 4.006 20.803 0.947 270 HZ2 LYS 39 2HZ LYS 39 2.371 21.099 0.633 271 HZ3 LYS 39 3HZ LYS 39 3.446 20.857 -0.649 272 H THR 40 H THR 40 6.574 13.774 2.375 273 HA THR 40 HA THR 40 8.958 13.380 0.923 274 HB THR 40 HB THR 40 8.696 13.715 3.450 275 HG1 THR 40 1HG THR 40 10.412 11.629 2.530 276 HG21 THR 40 1HG2 THR 40 8.823 10.828 3.886 277 HG22 THR 40 2HG2 THR 40 7.256 11.381 3.296 278 HG23 THR 40 3HG2 THR 40 7.935 12.068 4.771 279 H LEU 41 H LEU 41 6.202 11.369 1.450 280 HA LEU 41 HA LEU 41 7.627 8.972 0.573 281 HB2 LEU 41 1HB LEU 41 6.112 8.797 2.490 282 HB3 LEU 41 2HB LEU 41 4.773 9.335 1.478 283 HG LEU 41 HG LEU 41 5.325 7.237 0.058 284 HD11 LEU 41 1HD1 LEU 41 6.306 6.109 2.632 285 HD12 LEU 41 2HD1 LEU 41 7.448 6.935 1.573 286 HD13 LEU 41 3HD1 LEU 41 6.549 5.537 0.981 287 HD21 LEU 41 1HD2 LEU 41 3.376 7.747 1.714 288 HD22 LEU 41 2HD2 LEU 41 4.202 6.580 2.746 289 HD23 LEU 41 3HD2 LEU 41 3.641 6.099 1.144 290 H ALA 42 H ALA 42 5.414 11.376 -0.564 291 HA ALA 42 HA ALA 42 3.951 10.368 -2.543 292 HB1 ALA 42 1HB ALA 42 5.354 12.493 -3.793 293 HB2 ALA 42 2HB ALA 42 3.760 12.520 -3.039 294 HB3 ALA 42 3HB ALA 42 5.196 12.877 -2.079 295 HA PRO 43 HA PRO 43 7.599 9.938 -5.673 296 HB2 PRO 43 1HB PRO 43 10.117 10.307 -4.728 297 HB3 PRO 43 2HB PRO 43 9.131 11.625 -5.371 298 HG2 PRO 43 1HG PRO 43 9.625 10.845 -2.524 299 HG3 PRO 43 2HG PRO 43 9.591 12.462 -3.252 300 HD2 PRO 43 1HD PRO 43 7.500 11.445 -1.862 301 HD3 PRO 43 2HD PRO 43 7.289 12.563 -3.226 302 H THR 44 H THR 44 8.126 8.918 -2.355 303 HA THR 44 HA THR 44 9.727 6.652 -2.915 304 HB THR 44 HB THR 44 7.897 7.101 -0.549 305 HG1 THR 44 1HG THR 44 10.460 8.029 -1.209 306 HG21 THR 44 1HG2 THR 44 10.105 5.147 -1.114 307 HG22 THR 44 2HG2 THR 44 8.486 4.839 -0.486 308 HG23 THR 44 3HG2 THR 44 9.698 5.611 0.537 309 H TRP 45 H TRP 45 6.284 6.820 -1.985 310 HA TRP 45 HA TRP 45 5.519 4.245 -2.235 311 HB2 TRP 45 1HB TRP 45 4.054 6.251 -1.718 312 HB3 TRP 45 2HB TRP 45 3.897 6.480 -3.457 313 HD1 TRP 45 HD TRP 45 1.652 5.575 -4.255 314 HE1 TRP 45 1HE TRP 45 0.165 3.550 -3.698 315 HE3 TRP 45 3HE TRP 45 4.489 3.479 -0.555 316 HZ2 TRP 45 2HZ TRP 45 0.191 1.355 -1.923 317 HZ3 TRP 45 3HZ TRP 45 3.686 1.417 0.523 318 HH2 TRP 45 HH TRP 45 1.581 0.379 -0.149 319 H GLU 46 H GLU 46 6.180 6.459 -4.892 320 HA GLU 46 HA GLU 46 5.232 4.819 -6.980 321 HB2 GLU 46 1HB GLU 46 7.227 7.068 -6.874 322 HB3 GLU 46 2HB GLU 46 6.886 6.214 -8.373 323 HG2 GLU 46 1HG GLU 46 4.734 7.024 -8.506 324 HG3 GLU 46 2HG GLU 46 4.641 7.356 -6.777 325 H GLU 47 H GLU 47 8.575 5.384 -5.868 326 HA GLU 47 HA GLU 47 9.945 3.659 -7.464 327 HB2 GLU 47 1HB GLU 47 10.365 4.140 -4.511 328 HB3 GLU 47 2HB GLU 47 11.533 3.351 -5.562 329 HG2 GLU 47 1HG GLU 47 10.506 6.107 -6.134 330 HG3 GLU 47 2HG GLU 47 11.869 5.823 -5.054 331 H LEU 48 H LEU 48 8.266 2.810 -4.451 332 HA LEU 48 HA LEU 48 8.923 0.162 -4.215 333 HB2 LEU 48 1HB LEU 48 7.461 1.563 -2.702 334 HB3 LEU 48 2HB LEU 48 6.130 1.200 -3.800 335 HG LEU 48 HG LEU 48 6.462 -1.217 -3.306 336 HD11 LEU 48 1HD1 LEU 48 8.195 -1.970 -2.143 337 HD12 LEU 48 2HD1 LEU 48 7.890 -0.829 -0.833 338 HD13 LEU 48 3HD1 LEU 48 8.870 -0.341 -2.216 339 HD21 LEU 48 1HD2 LEU 48 5.873 -0.721 -0.695 340 HD22 LEU 48 2HD2 LEU 48 4.722 -0.615 -2.027 341 HD23 LEU 48 3HD2 LEU 48 5.528 0.840 -1.441 342 H SER 49 H SER 49 6.487 1.597 -6.332 343 HA SER 49 HA SER 49 5.318 -0.768 -7.267 344 HB2 SER 49 1HB SER 49 4.277 0.544 -8.892 345 HB3 SER 49 2HB SER 49 4.629 1.722 -7.628 346 HG SER 49 HG SER 49 5.733 2.752 -9.072 347 H LYS 50 H LYS 50 8.125 1.045 -8.426 348 HA LYS 50 HA LYS 50 8.603 -0.525 -10.725 349 HB2 LYS 50 1HB LYS 50 10.478 1.173 -9.070 350 HB3 LYS 50 2HB LYS 50 10.900 0.463 -10.622 351 HG2 LYS 50 1HG LYS 50 9.265 1.783 -11.753 352 HG3 LYS 50 2HG LYS 50 8.604 2.366 -10.223 353 HD2 LYS 50 1HD LYS 50 10.736 3.484 -9.742 354 HD3 LYS 50 2HD LYS 50 11.377 2.916 -11.285 355 HE2 LYS 50 1HE LYS 50 9.308 4.104 -12.296 356 HE3 LYS 50 2HE LYS 50 9.249 4.954 -10.752 357 HZ1 LYS 50 1HZ LYS 50 10.642 6.357 -11.775 358 HZ2 LYS 50 2HZ LYS 50 11.122 5.228 -12.939 359 HZ3 LYS 50 3HZ LYS 50 11.829 5.212 -11.401 360 H LYS 51 H LYS 51 9.626 -0.809 -7.374 361 HA LYS 51 HA LYS 51 11.667 -2.624 -7.507 362 HB2 LYS 51 1HB LYS 51 9.374 -2.635 -5.533 363 HB3 LYS 51 2HB LYS 51 10.915 -3.452 -5.305 364 HG2 LYS 51 1HG LYS 51 10.576 -0.479 -5.630 365 HG3 LYS 51 2HG LYS 51 10.764 -1.319 -4.089 366 HD2 LYS 51 1HD LYS 51 12.768 -1.389 -6.344 367 HD3 LYS 51 2HD LYS 51 12.876 -0.329 -4.936 368 HE2 LYS 51 1HE LYS 51 14.192 -2.068 -4.238 369 HE3 LYS 51 2HE LYS 51 12.626 -2.597 -3.625 370 HZ1 LYS 51 1HZ LYS 51 12.690 -3.597 -6.147 371 HZ2 LYS 51 2HZ LYS 51 13.035 -4.466 -4.738 372 HZ3 LYS 51 3HZ LYS 51 14.292 -3.781 -5.636 373 H GLU 52 H GLU 52 11.701 -4.965 -7.168 374 HA GLU 52 HA GLU 52 9.383 -6.343 -8.344 375 HB2 GLU 52 1HB GLU 52 12.119 -7.353 -8.952 376 HB3 GLU 52 2HB GLU 52 10.642 -7.478 -9.898 377 HG2 GLU 52 1HG GLU 52 10.847 -5.281 -10.706 378 HG3 GLU 52 2HG GLU 52 12.074 -4.871 -9.509 379 H PHE 53 H PHE 53 8.642 -7.878 -7.049 380 HA PHE 53 HA PHE 53 10.326 -8.859 -4.880 381 HB2 PHE 53 1HB PHE 53 7.411 -9.485 -5.338 382 HB3 PHE 53 2HB PHE 53 8.321 -9.618 -3.837 383 HD1 PHE 53 1HD PHE 53 6.844 -7.250 -6.243 384 HD2 PHE 53 2HD PHE 53 8.604 -7.759 -2.402 385 HE1 PHE 53 1HE PHE 53 6.142 -4.974 -5.624 386 HE2 PHE 53 2HE PHE 53 7.905 -5.484 -1.776 387 HZ PHE 53 HZ PHE 53 6.671 -4.089 -3.388 388 HA PRO 54 HA PRO 54 11.086 -12.446 -7.496 389 HB2 PRO 54 1HB PRO 54 13.062 -13.448 -5.926 390 HB3 PRO 54 2HB PRO 54 13.323 -12.133 -7.078 391 HG2 PRO 54 1HG PRO 54 12.887 -12.001 -4.120 392 HG3 PRO 54 2HG PRO 54 14.046 -11.107 -5.120 393 HD2 PRO 54 1HD PRO 54 11.722 -10.018 -4.257 394 HD3 PRO 54 2HD PRO 54 12.463 -9.578 -5.809 395 H GLY 55 H GLY 55 10.556 -14.615 -7.331 396 HA2 GLY 55 1HA GLY 55 9.249 -16.350 -6.550 397 HA3 GLY 55 2HA GLY 55 10.302 -16.223 -5.149 398 H LEU 56 H LEU 56 8.293 -13.528 -5.927 399 HA LEU 56 HA LEU 56 6.487 -14.261 -3.717 400 HB2 LEU 56 1HB LEU 56 7.888 -11.723 -4.370 401 HB3 LEU 56 2HB LEU 56 6.275 -11.620 -3.666 402 HG LEU 56 HG LEU 56 8.648 -13.005 -2.415 403 HD11 LEU 56 1HD1 LEU 56 9.132 -10.741 -2.237 404 HD12 LEU 56 2HD1 LEU 56 8.285 -11.090 -0.731 405 HD13 LEU 56 3HD1 LEU 56 7.436 -10.291 -2.053 406 HD21 LEU 56 1HD2 LEU 56 5.906 -13.370 -1.977 407 HD22 LEU 56 2HD2 LEU 56 6.475 -12.360 -0.649 408 HD23 LEU 56 3HD2 LEU 56 7.240 -13.918 -0.961 409 H ALA 57 H ALA 57 4.308 -13.556 -3.864 410 HA ALA 57 HA ALA 57 3.159 -13.823 -6.418 411 HB1 ALA 57 1HB ALA 57 1.855 -12.654 -3.966 412 HB2 ALA 57 2HB ALA 57 1.052 -13.388 -5.355 413 HB3 ALA 57 3HB ALA 57 2.032 -14.381 -4.277 414 H GLY 58 H GLY 58 1.909 -12.289 -7.632 415 HA2 GLY 58 1HA GLY 58 3.216 -9.940 -8.268 416 HA3 GLY 58 2HA GLY 58 1.525 -10.256 -8.629 417 H VAL 59 H VAL 59 3.755 -8.604 -6.580 418 HA VAL 59 HA VAL 59 1.764 -7.705 -4.696 419 HB VAL 59 HB VAL 59 4.587 -6.709 -5.108 420 HG11 VAL 59 1HG1 VAL 59 2.762 -6.405 -2.727 421 HG12 VAL 59 2HG1 VAL 59 4.391 -5.747 -2.905 422 HG13 VAL 59 3HG1 VAL 59 3.079 -5.146 -3.920 423 HG21 VAL 59 1HG2 VAL 59 3.465 -9.046 -3.690 424 HG22 VAL 59 2HG2 VAL 59 5.054 -8.816 -4.419 425 HG23 VAL 59 3HG2 VAL 59 4.703 -8.127 -2.834 426 H LYS 60 H LYS 60 0.248 -6.349 -5.421 427 HA LYS 60 HA LYS 60 0.875 -4.352 -7.434 428 HB2 LYS 60 1HB LYS 60 -1.667 -5.249 -6.096 429 HB3 LYS 60 2HB LYS 60 -1.618 -3.797 -7.088 430 HG2 LYS 60 1HG LYS 60 -1.269 -4.974 -9.035 431 HG3 LYS 60 2HG LYS 60 -0.587 -6.369 -8.194 432 HD2 LYS 60 1HD LYS 60 -3.451 -5.592 -7.785 433 HD3 LYS 60 2HD LYS 60 -2.970 -6.539 -9.196 434 HE2 LYS 60 1HE LYS 60 -2.279 -7.320 -6.372 435 HE3 LYS 60 2HE LYS 60 -3.746 -7.858 -7.186 436 HZ1 LYS 60 1HZ LYS 60 -2.058 -8.593 -9.008 437 HZ2 LYS 60 2HZ LYS 60 -2.323 -9.567 -7.651 438 HZ3 LYS 60 3HZ LYS 60 -0.953 -8.578 -7.726 439 H ILE 61 H ILE 61 1.071 -2.203 -7.099 440 HA ILE 61 HA ILE 61 0.846 -1.264 -4.315 441 HB ILE 61 HB ILE 61 2.634 -0.211 -6.509 442 HG12 ILE 61 1HG1 ILE 61 3.459 -2.326 -5.685 443 HG13 ILE 61 2HG1 ILE 61 4.459 -1.040 -5.020 444 HG21 ILE 61 1HG2 ILE 61 3.522 0.824 -4.125 445 HG22 ILE 61 2HG2 ILE 61 2.564 1.683 -5.330 446 HG23 ILE 61 3HG2 ILE 61 1.767 0.905 -3.963 447 HD11 ILE 61 1HD1 ILE 61 4.087 -2.542 -3.261 448 HD12 ILE 61 2HD1 ILE 61 3.009 -1.181 -2.951 449 HD13 ILE 61 3HD1 ILE 61 2.368 -2.677 -3.630 450 H ALA 62 H ALA 62 -1.110 -0.321 -4.177 451 HA ALA 62 HA ALA 62 -1.868 1.609 -6.268 452 HB1 ALA 62 1HB ALA 62 -4.003 0.950 -6.092 453 HB2 ALA 62 2HB ALA 62 -3.326 -0.485 -5.321 454 HB3 ALA 62 3HB ALA 62 -3.930 0.845 -4.333 455 H GLU 63 H GLU 63 -3.350 3.401 -5.336 456 HA GLU 63 HA GLU 63 -2.385 4.313 -2.721 457 HB2 GLU 63 1HB GLU 63 -0.939 5.580 -3.996 458 HB3 GLU 63 2HB GLU 63 -2.055 5.686 -5.350 459 HG2 GLU 63 1HG GLU 63 -3.451 7.237 -4.031 460 HG3 GLU 63 2HG GLU 63 -2.243 7.185 -2.748 461 H VAL 64 H VAL 64 -3.771 5.734 -1.626 462 HA VAL 64 HA VAL 64 -6.322 6.409 -2.863 463 HB VAL 64 HB VAL 64 -6.107 4.697 -0.386 464 HG11 VAL 64 1HG1 VAL 64 -8.493 4.909 -0.136 465 HG12 VAL 64 2HG1 VAL 64 -7.770 6.521 -0.132 466 HG13 VAL 64 3HG1 VAL 64 -8.592 5.924 -1.575 467 HG21 VAL 64 1HG2 VAL 64 -7.830 3.384 -1.877 468 HG22 VAL 64 2HG2 VAL 64 -7.024 4.249 -3.185 469 HG23 VAL 64 3HG2 VAL 64 -6.094 3.196 -2.121 470 H ASP 65 H ASP 65 -7.087 8.320 -2.177 471 HA ASP 65 HA ASP 65 -5.563 9.736 -0.138 472 HB2 ASP 65 1HB ASP 65 -7.603 10.621 -2.177 473 HB3 ASP 65 2HB ASP 65 -6.988 11.698 -0.927 474 H CYS 66 H CYS 66 -6.415 10.571 1.737 475 HA CYS 66 HA CYS 66 -8.836 9.279 2.687 476 HB2 CYS 66 1HB CYS 66 -6.692 10.921 4.028 477 HB3 CYS 66 2HB CYS 66 -8.164 10.440 4.868 478 H THR 67 H THR 67 -8.704 11.630 0.727 479 HA THR 67 HA THR 67 -10.515 13.425 2.208 480 HB THR 67 HB THR 67 -9.915 15.160 0.501 481 HG1 THR 67 1HG THR 67 -9.062 13.922 -1.148 482 HG21 THR 67 1HG2 THR 67 -8.863 15.434 2.579 483 HG22 THR 67 2HG2 THR 67 -7.536 15.480 1.417 484 HG23 THR 67 3HG2 THR 67 -7.842 14.015 2.349 485 H ALA 68 H ALA 68 -9.843 12.108 -1.030 486 HA ALA 68 HA ALA 68 -12.481 12.771 -1.982 487 HB1 ALA 68 1HB ALA 68 -10.566 10.929 -3.373 488 HB2 ALA 68 2HB ALA 68 -11.784 11.998 -4.072 489 HB3 ALA 68 3HB ALA 68 -10.320 12.676 -3.359 490 H GLU 69 H GLU 69 -10.950 10.066 -0.471 491 HA GLU 69 HA GLU 69 -13.461 8.558 -0.704 492 HB2 GLU 69 1HB GLU 69 -10.665 7.503 -1.124 493 HB3 GLU 69 2HB GLU 69 -12.040 6.458 -0.793 494 HG2 GLU 69 1HG GLU 69 -11.527 8.170 -3.197 495 HG3 GLU 69 2HG GLU 69 -11.795 6.430 -3.115 496 H ARG 70 H ARG 70 -12.613 10.227 1.426 497 HA ARG 70 HA ARG 70 -11.290 9.050 3.529 498 HB2 ARG 70 1HB ARG 70 -13.190 10.371 4.891 499 HB3 ARG 70 2HB ARG 70 -11.842 11.176 4.099 500 HG2 ARG 70 1HG ARG 70 -14.125 12.177 3.721 501 HG3 ARG 70 2HG ARG 70 -13.173 11.837 2.275 502 HD2 ARG 70 1HD ARG 70 -14.529 10.113 1.619 503 HD3 ARG 70 2HD ARG 70 -15.024 9.734 3.269 504 HE ARG 70 HE ARG 70 -16.786 11.165 3.020 505 HH11 ARG 70 2HH1 ARG 70 -14.420 11.858 0.563 506 HH12 ARG 70 1HH1 ARG 70 -15.426 12.998 -0.267 507 HH21 ARG 70 2HH2 ARG 70 -18.119 12.664 1.935 508 HH22 ARG 70 1HH2 ARG 70 -17.529 13.457 0.515 509 H ASN 71 H ASN 71 -14.245 8.093 2.120 510 HA ASN 71 HA ASN 71 -15.571 6.920 4.286 511 HB2 ASN 71 1HB ASN 71 -15.595 6.500 1.328 512 HB3 ASN 71 2HB ASN 71 -16.397 5.313 2.352 513 HD21 ASN 71 1HD2 ASN 71 -17.367 7.377 0.402 514 HD22 ASN 71 2HD2 ASN 71 -18.576 8.254 1.269 515 H ILE 72 H ILE 72 -13.119 5.605 2.094 516 HA ILE 72 HA ILE 72 -13.128 3.013 3.313 517 HB ILE 72 HB ILE 72 -11.087 4.272 1.476 518 HG12 ILE 72 1HG1 ILE 72 -13.246 2.269 0.804 519 HG13 ILE 72 2HG1 ILE 72 -13.446 4.006 0.596 520 HG21 ILE 72 1HG2 ILE 72 -11.307 1.369 1.493 521 HG22 ILE 72 2HG2 ILE 72 -9.877 2.398 1.565 522 HG23 ILE 72 3HG2 ILE 72 -10.776 2.033 3.037 523 HD11 ILE 72 1HD1 ILE 72 -11.887 4.101 -1.119 524 HD12 ILE 72 2HD1 ILE 72 -11.159 2.558 -0.673 525 HD13 ILE 72 3HD1 ILE 72 -12.753 2.596 -1.425 526 H CYS 73 H CYS 73 -10.954 5.821 3.421 527 HA CYS 73 HA CYS 73 -8.938 4.822 5.008 528 HB2 CYS 73 1HB CYS 73 -10.106 7.538 4.612 529 HB3 CYS 73 2HB CYS 73 -8.971 7.312 5.940 530 H SER 74 H SER 74 -11.822 6.573 6.171 531 HA SER 74 HA SER 74 -11.411 6.350 8.879 532 HB2 SER 74 1HB SER 74 -13.244 7.662 7.941 533 HB3 SER 74 2HB SER 74 -14.047 6.190 7.394 534 HG SER 74 HG SER 74 -13.396 6.431 10.104 535 H LYS 75 H LYS 75 -12.791 3.962 6.679 536 HA LYS 75 HA LYS 75 -13.629 2.098 8.609 537 HB2 LYS 75 1HB LYS 75 -14.280 2.067 6.203 538 HB3 LYS 75 2HB LYS 75 -12.654 1.527 5.804 539 HG2 LYS 75 1HG LYS 75 -13.030 -0.480 7.209 540 HG3 LYS 75 2HG LYS 75 -14.697 0.048 7.448 541 HD2 LYS 75 1HD LYS 75 -15.256 -0.303 5.215 542 HD3 LYS 75 2HD LYS 75 -13.572 -0.271 4.689 543 HE2 LYS 75 1HE LYS 75 -14.101 -2.526 4.578 544 HE3 LYS 75 2HE LYS 75 -13.322 -2.386 6.153 545 HZ1 LYS 75 1HZ LYS 75 -16.217 -2.614 5.573 546 HZ2 LYS 75 2HZ LYS 75 -15.629 -2.134 7.084 547 HZ3 LYS 75 3HZ LYS 75 -15.250 -3.667 6.478 548 H TYR 76 H TYR 76 -10.504 2.792 7.235 549 HA TYR 76 HA TYR 76 -9.342 0.431 8.525 550 HB2 TYR 76 1HB TYR 76 -8.269 2.381 6.487 551 HB3 TYR 76 2HB TYR 76 -7.248 1.192 7.290 552 HD1 TYR 76 1HD TYR 76 -7.799 -1.262 7.002 553 HD2 TYR 76 2HD TYR 76 -9.584 1.785 4.629 554 HE1 TYR 76 1HE TYR 76 -8.436 -2.948 5.328 555 HE2 TYR 76 2HE TYR 76 -10.227 0.108 2.949 556 HH TYR 76 HH TYR 76 -10.683 -2.540 3.071 557 H SER 77 H SER 77 -10.321 2.785 10.001 558 HA SER 77 HA SER 77 -9.628 4.376 11.520 559 HB2 SER 77 1HB SER 77 -9.423 2.115 12.633 560 HB3 SER 77 2HB SER 77 -7.698 2.176 12.276 561 HG SER 77 HG SER 77 -8.770 3.105 14.388 562 H VAL 78 H VAL 78 -8.375 4.851 9.077 563 HA VAL 78 HA VAL 78 -5.550 5.281 9.589 564 HB VAL 78 HB VAL 78 -7.158 6.149 7.185 565 HG11 VAL 78 1HG1 VAL 78 -4.688 6.958 7.882 566 HG12 VAL 78 2HG1 VAL 78 -4.291 5.493 6.983 567 HG13 VAL 78 3HG1 VAL 78 -5.221 6.777 6.211 568 HG21 VAL 78 1HG2 VAL 78 -5.513 3.641 7.473 569 HG22 VAL 78 2HG2 VAL 78 -7.268 3.690 7.630 570 HG23 VAL 78 3HG2 VAL 78 -6.508 4.121 6.099 571 H ARG 79 H ARG 79 -5.203 6.889 11.022 572 HA ARG 79 HA ARG 79 -6.427 9.505 10.432 573 HB2 ARG 79 1HB ARG 79 -5.904 8.125 13.039 574 HB3 ARG 79 2HB ARG 79 -5.886 9.883 12.970 575 HG2 ARG 79 1HG ARG 79 -8.204 8.383 11.840 576 HG3 ARG 79 2HG ARG 79 -8.072 8.623 13.583 577 HD2 ARG 79 1HD ARG 79 -8.190 10.951 13.389 578 HD3 ARG 79 2HD ARG 79 -7.802 10.915 11.669 579 HE ARG 79 HE ARG 79 -10.385 10.729 12.830 580 HH11 ARG 79 2HH1 ARG 79 -8.451 9.556 10.184 581 HH12 ARG 79 1HH1 ARG 79 -9.808 9.274 9.145 582 HH21 ARG 79 2HH2 ARG 79 -12.181 10.363 11.473 583 HH22 ARG 79 1HH2 ARG 79 -11.930 9.734 9.879 584 H GLY 80 H GLY 80 -3.542 7.710 11.155 585 HA2 GLY 80 1HA GLY 80 -1.961 10.196 11.145 586 HA3 GLY 80 2HA GLY 80 -1.410 8.648 11.768 587 H TYR 81 H TYR 81 -1.543 10.720 9.067 588 HA TYR 81 HA TYR 81 -0.625 8.614 7.247 589 HB2 TYR 81 1HB TYR 81 -1.014 11.425 6.331 590 HB3 TYR 81 2HB TYR 81 -1.331 9.915 5.485 591 HD1 TYR 81 1HD TYR 81 -3.244 8.447 6.742 592 HD2 TYR 81 2HD TYR 81 -2.865 12.683 6.861 593 HE1 TYR 81 1HE TYR 81 -5.636 8.640 7.283 594 HE2 TYR 81 2HE TYR 81 -5.254 12.888 7.404 595 HH TYR 81 HH TYR 81 -7.075 10.609 8.585 596 HA PRO 82 HA PRO 82 0.320 8.891 5.081 597 HB2 PRO 82 1HB PRO 82 2.452 7.368 4.370 598 HB3 PRO 82 2HB PRO 82 2.232 9.031 3.815 599 HG2 PRO 82 1HG PRO 82 3.940 7.987 6.040 600 HG3 PRO 82 2HG PRO 82 4.324 9.211 4.815 601 HD2 PRO 82 1HD PRO 82 3.599 9.857 7.343 602 HD3 PRO 82 2HD PRO 82 3.199 10.875 5.945 603 H THR 83 H THR 83 -0.442 6.769 4.896 604 HA THR 83 HA THR 83 0.238 4.963 7.123 605 HB THR 83 HB THR 83 -2.528 5.327 5.956 606 HG1 THR 83 1HG THR 83 -1.830 6.006 8.599 607 HG21 THR 83 1HG2 THR 83 -3.032 4.055 8.182 608 HG22 THR 83 2HG2 THR 83 -1.355 3.532 8.042 609 HG23 THR 83 3HG2 THR 83 -2.506 3.157 6.760 610 H LEU 84 H LEU 84 0.428 2.812 6.649 611 HA LEU 84 HA LEU 84 -0.133 1.970 3.889 612 HB2 LEU 84 1HB LEU 84 2.286 0.958 5.318 613 HB3 LEU 84 2HB LEU 84 1.948 1.006 3.589 614 HG LEU 84 HG LEU 84 2.431 3.512 5.175 615 HD11 LEU 84 1HD1 LEU 84 4.415 1.573 4.055 616 HD12 LEU 84 2HD1 LEU 84 4.420 2.405 5.610 617 HD13 LEU 84 3HD1 LEU 84 4.781 3.297 4.132 618 HD21 LEU 84 1HD2 LEU 84 1.520 3.153 2.648 619 HD22 LEU 84 2HD2 LEU 84 3.259 3.250 2.368 620 HD23 LEU 84 3HD2 LEU 84 2.423 4.568 3.191 621 H LEU 85 H LEU 85 -0.892 -0.090 3.644 622 HA LEU 85 HA LEU 85 -0.903 -1.895 5.931 623 HB2 LEU 85 1HB LEU 85 -3.395 -0.894 4.569 624 HB3 LEU 85 2HB LEU 85 -3.351 -2.306 5.621 625 HG LEU 85 HG LEU 85 -2.509 0.415 6.579 626 HD11 LEU 85 1HD1 LEU 85 -4.642 1.024 6.155 627 HD12 LEU 85 2HD1 LEU 85 -4.950 0.140 7.649 628 HD13 LEU 85 3HD1 LEU 85 -5.223 -0.640 6.092 629 HD21 LEU 85 1HD2 LEU 85 -3.265 -0.644 8.760 630 HD22 LEU 85 2HD2 LEU 85 -1.786 -1.283 8.040 631 HD23 LEU 85 3HD2 LEU 85 -3.301 -2.175 7.883 632 H LEU 86 H LEU 86 -0.956 -4.036 5.379 633 HA LEU 86 HA LEU 86 -0.801 -4.611 2.505 634 HB2 LEU 86 1HB LEU 86 1.121 -5.221 3.939 635 HB3 LEU 86 2HB LEU 86 0.066 -6.304 4.846 636 HG LEU 86 HG LEU 86 -0.314 -7.500 2.610 637 HD11 LEU 86 1HD1 LEU 86 0.524 -6.072 0.989 638 HD12 LEU 86 2HD1 LEU 86 1.817 -7.256 1.170 639 HD13 LEU 86 3HD1 LEU 86 1.959 -5.675 1.935 640 HD21 LEU 86 1HD2 LEU 86 1.695 -7.719 4.605 641 HD22 LEU 86 2HD2 LEU 86 2.417 -8.127 3.048 642 HD23 LEU 86 3HD2 LEU 86 0.985 -8.991 3.610 643 H PHE 87 H PHE 87 -1.958 -6.309 1.575 644 HA PHE 87 HA PHE 87 -3.970 -7.652 3.215 645 HB2 PHE 87 1HB PHE 87 -4.617 -6.041 0.738 646 HB3 PHE 87 2HB PHE 87 -5.744 -7.120 1.554 647 HD1 PHE 87 2HD PHE 87 -6.532 -6.577 3.839 648 HD2 PHE 87 1HD PHE 87 -4.182 -3.864 1.552 649 HE1 PHE 87 2HE PHE 87 -7.218 -4.739 5.323 650 HE2 PHE 87 1HE PHE 87 -4.863 -2.020 3.034 651 HZ PHE 87 HZ PHE 87 -6.383 -2.457 4.922 652 H ARG 88 H ARG 88 -3.848 -9.748 2.806 653 HA ARG 88 HA ARG 88 -3.197 -10.617 0.067 654 HB2 ARG 88 1HB ARG 88 -1.294 -10.908 1.678 655 HB3 ARG 88 2HB ARG 88 -2.310 -12.010 2.597 656 HG2 ARG 88 1HG ARG 88 -2.447 -13.504 0.681 657 HG3 ARG 88 2HG ARG 88 -1.458 -12.390 -0.266 658 HD2 ARG 88 1HD ARG 88 0.323 -12.662 1.501 659 HD3 ARG 88 2HD ARG 88 -0.652 -13.976 2.162 660 HE ARG 88 HE ARG 88 -0.239 -14.427 -0.579 661 HH11 ARG 88 2HH1 ARG 88 1.511 -14.398 2.431 662 HH12 ARG 88 1HH1 ARG 88 2.679 -15.569 1.914 663 HH21 ARG 88 2HH2 ARG 88 1.293 -15.969 -1.271 664 HH22 ARG 88 1HH2 ARG 88 2.555 -16.462 -0.192 665 H GLY 89 H GLY 89 -4.872 -11.644 -0.791 666 HA2 GLY 89 1HA GLY 89 -6.463 -13.331 -1.002 667 HA3 GLY 89 2HA GLY 89 -6.201 -13.751 0.684 668 H GLY 90 H GLY 90 -6.820 -10.443 -0.093 669 HA2 GLY 90 1HA GLY 90 -8.720 -9.135 0.104 670 HA3 GLY 90 2HA GLY 90 -9.678 -10.605 0.198 671 H LYS 91 H LYS 91 -6.971 -9.817 2.303 672 HA LYS 91 HA LYS 91 -8.679 -8.942 4.456 673 HB2 LYS 91 1HB LYS 91 -8.311 -10.740 5.956 674 HB3 LYS 91 2HB LYS 91 -8.834 -11.471 4.444 675 HG2 LYS 91 1HG LYS 91 -6.523 -12.017 3.897 676 HG3 LYS 91 2HG LYS 91 -5.985 -11.268 5.402 677 HD2 LYS 91 1HD LYS 91 -8.034 -13.449 5.460 678 HD3 LYS 91 2HD LYS 91 -6.323 -13.847 5.292 679 HE2 LYS 91 1HE LYS 91 -5.788 -12.914 7.375 680 HE3 LYS 91 2HE LYS 91 -7.306 -12.022 7.462 681 HZ1 LYS 91 1HZ LYS 91 -8.245 -13.721 8.499 682 HZ2 LYS 91 2HZ LYS 91 -6.752 -14.516 8.533 683 HZ3 LYS 91 3HZ LYS 91 -7.826 -14.790 7.255 684 H LYS 92 H LYS 92 -7.564 -7.876 6.062 685 HA LYS 92 HA LYS 92 -5.107 -6.732 5.451 686 HB2 LYS 92 1HB LYS 92 -5.189 -5.704 7.555 687 HB3 LYS 92 2HB LYS 92 -6.879 -5.983 7.155 688 HG2 LYS 92 1HG LYS 92 -6.495 -8.212 8.488 689 HG3 LYS 92 2HG LYS 92 -5.172 -7.292 9.208 690 HD2 LYS 92 1HD LYS 92 -7.876 -6.043 9.024 691 HD3 LYS 92 2HD LYS 92 -7.574 -7.254 10.273 692 HE2 LYS 92 1HE LYS 92 -7.053 -5.254 11.335 693 HE3 LYS 92 2HE LYS 92 -5.479 -5.852 10.811 694 HZ1 LYS 92 1HZ LYS 92 -6.228 -3.389 10.371 695 HZ2 LYS 92 2HZ LYS 92 -6.942 -4.078 9.002 696 HZ3 LYS 92 3HZ LYS 92 -5.276 -4.228 9.253 697 H VAL 93 H VAL 93 -3.004 -7.136 6.020 698 HA VAL 93 HA VAL 93 -2.479 -9.802 7.155 699 HB VAL 93 HB VAL 93 -0.692 -8.124 5.390 700 HG11 VAL 93 1HG1 VAL 93 -0.190 -10.427 7.064 701 HG12 VAL 93 2HG1 VAL 93 0.172 -10.764 5.369 702 HG13 VAL 93 3HG1 VAL 93 0.946 -9.405 6.184 703 HG21 VAL 93 1HG2 VAL 93 -1.809 -10.740 4.534 704 HG22 VAL 93 2HG2 VAL 93 -2.876 -9.335 4.505 705 HG23 VAL 93 3HG2 VAL 93 -1.379 -9.324 3.573 706 H SER 94 H SER 94 -0.910 -6.602 6.955 707 HA SER 94 HA SER 94 -0.601 -6.381 9.771 708 HB2 SER 94 1HB SER 94 1.136 -8.123 9.224 709 HB3 SER 94 2HB SER 94 1.958 -6.908 8.245 710 HG SER 94 HG SER 94 1.818 -7.177 10.987 711 H GLU 95 H GLU 95 0.458 -4.404 10.404 712 HA GLU 95 HA GLU 95 0.291 -2.382 8.298 713 HB2 GLU 95 1HB GLU 95 -1.039 -1.916 10.251 714 HB3 GLU 95 2HB GLU 95 0.343 -2.161 11.308 715 HG2 GLU 95 1HG GLU 95 0.506 -0.054 9.218 716 HG3 GLU 95 2HG GLU 95 -0.469 0.245 10.655 717 H HIS 96 H HIS 96 1.911 -0.764 8.058 718 HA HIS 96 HA HIS 96 4.586 -1.700 8.854 719 HB2 HIS 96 1HB HIS 96 3.960 -1.537 6.375 720 HB3 HIS 96 2HB HIS 96 4.003 0.210 6.596 721 HD1 HIS 96 1HD HIS 96 6.561 -0.060 8.601 722 HD2 HIS 96 2HD HIS 96 6.210 -1.436 4.697 723 HE1 HIS 96 1HE HIS 96 8.917 -0.250 7.741 724 HE2 HIS 96 2HE HIS 96 8.675 -1.003 5.349 725 H SER 97 H SER 97 5.385 -0.606 10.516 726 HA SER 97 HA SER 97 4.945 2.306 10.614 727 HB2 SER 97 1HB SER 97 3.737 0.873 12.387 728 HB3 SER 97 2HB SER 97 5.338 0.624 13.082 729 HG SER 97 HG SER 97 3.826 2.582 13.642 730 H GLY 98 H GLY 98 7.137 -0.370 10.986 731 HA2 GLY 98 1HA GLY 98 9.304 1.086 12.121 732 HA3 GLY 98 2HA GLY 98 9.411 -0.476 11.322 733 H GLY 99 H GLY 99 8.955 2.977 10.565 734 HA2 GLY 99 1HA GLY 99 10.107 4.275 9.029 735 HA3 GLY 99 2HA GLY 99 11.075 2.868 8.616 736 H ARG 100 H ARG 100 9.544 4.974 7.030 737 HA ARG 100 HA ARG 100 8.018 3.088 5.355 738 HB2 ARG 100 1HB ARG 100 7.572 6.061 5.677 739 HB3 ARG 100 2HB ARG 100 6.654 4.994 4.621 740 HG2 ARG 100 1HG ARG 100 5.820 3.773 6.550 741 HG3 ARG 100 2HG ARG 100 6.773 4.799 7.624 742 HD2 ARG 100 1HD ARG 100 5.492 6.747 6.496 743 HD3 ARG 100 2HD ARG 100 4.361 5.492 5.989 744 HE ARG 100 HE ARG 100 3.632 5.301 8.163 745 HH11 ARG 100 2HH1 ARG 100 6.526 7.234 8.055 746 HH12 ARG 100 1HH1 ARG 100 6.395 7.756 9.702 747 HH21 ARG 100 2HH2 ARG 100 3.449 5.980 10.333 748 HH22 ARG 100 1HH2 ARG 100 4.645 7.041 10.997 749 H ASP 101 H ASP 101 10.853 3.590 5.204 750 HA ASP 101 HA ASP 101 11.287 5.325 2.936 751 HB2 ASP 101 1HB ASP 101 13.104 3.474 4.483 752 HB3 ASP 101 2HB ASP 101 13.643 4.410 3.091 753 H LEU 102 H LEU 102 11.925 4.686 0.867 754 HA LEU 102 HA LEU 102 10.592 2.819 -0.487 755 HB2 LEU 102 1HB LEU 102 11.945 4.191 -1.774 756 HB3 LEU 102 2HB LEU 102 13.392 3.800 -0.846 757 HG LEU 102 HG LEU 102 13.339 1.521 -1.878 758 HD11 LEU 102 1HD1 LEU 102 10.942 2.700 -3.152 759 HD12 LEU 102 2HD1 LEU 102 11.280 1.033 -2.690 760 HD13 LEU 102 3HD1 LEU 102 11.984 1.699 -4.163 761 HD21 LEU 102 1HD2 LEU 102 14.608 3.627 -2.718 762 HD22 LEU 102 2HD2 LEU 102 13.456 3.570 -4.052 763 HD23 LEU 102 3HD2 LEU 102 14.519 2.196 -3.746 764 H ASP 103 H ASP 103 13.903 2.112 0.642 765 HA ASP 103 HA ASP 103 13.745 -0.655 0.173 766 HB2 ASP 103 1HB ASP 103 15.516 0.874 2.092 767 HB3 ASP 103 2HB ASP 103 15.754 -0.806 1.620 768 H SER 104 H SER 104 13.419 1.186 3.204 769 HA SER 104 HA SER 104 12.995 -0.861 4.978 770 HB2 SER 104 1HB SER 104 11.670 1.858 4.889 771 HB3 SER 104 2HB SER 104 11.587 0.769 6.273 772 HG SER 104 HG SER 104 14.067 1.527 5.165 773 H LEU 105 H LEU 105 10.991 0.090 2.376 774 HA LEU 105 HA LEU 105 8.597 -1.150 3.452 775 HB2 LEU 105 1HB LEU 105 9.202 0.109 0.783 776 HB3 LEU 105 2HB LEU 105 7.638 -0.577 1.220 777 HG LEU 105 HG LEU 105 8.897 1.667 2.778 778 HD11 LEU 105 1HD1 LEU 105 8.056 3.256 1.391 779 HD12 LEU 105 2HD1 LEU 105 6.759 2.218 0.801 780 HD13 LEU 105 3HD1 LEU 105 8.400 2.007 0.193 781 HD21 LEU 105 1HD2 LEU 105 7.120 1.405 4.076 782 HD22 LEU 105 2HD2 LEU 105 6.566 0.066 3.072 783 HD23 LEU 105 3HD2 LEU 105 6.066 1.716 2.697 784 H HIS 106 H HIS 106 10.700 -1.648 0.614 785 HA HIS 106 HA HIS 106 9.623 -3.947 -0.401 786 HB2 HIS 106 1HB HIS 106 11.649 -2.585 -1.222 787 HB3 HIS 106 2HB HIS 106 12.607 -3.618 -0.166 788 HD1 HIS 106 1HD HIS 106 13.605 -5.510 -1.382 789 HD2 HIS 106 2HD HIS 106 9.952 -4.398 -3.017 790 HE1 HIS 106 1HE HIS 106 13.245 -7.053 -3.334 791 HE2 HIS 106 2HE HIS 106 11.069 -6.305 -4.359 792 H ARG 107 H ARG 107 12.106 -3.756 2.144 793 HA ARG 107 HA ARG 107 12.415 -6.478 2.600 794 HB2 ARG 107 1HB ARG 107 13.365 -5.888 4.728 795 HB3 ARG 107 2HB ARG 107 13.838 -4.665 3.557 796 HG2 ARG 107 1HG ARG 107 11.841 -3.325 4.430 797 HG3 ARG 107 2HG ARG 107 11.845 -4.458 5.782 798 HD2 ARG 107 1HD ARG 107 14.054 -2.597 4.928 799 HD3 ARG 107 2HD ARG 107 13.127 -2.552 6.427 800 HE ARG 107 HE ARG 107 14.322 -5.007 6.432 801 HH11 ARG 107 2HH1 ARG 107 15.438 -1.720 6.171 802 HH12 ARG 107 1HH1 ARG 107 16.967 -2.042 6.921 803 HH21 ARG 107 2HH2 ARG 107 16.330 -5.444 7.422 804 HH22 ARG 107 1HH2 ARG 107 17.473 -4.161 7.632 805 H PHE 108 H PHE 108 10.127 -4.202 4.072 806 HA PHE 108 HA PHE 108 8.953 -5.893 5.930 807 HB2 PHE 108 1HB PHE 108 8.403 -3.578 5.998 808 HB3 PHE 108 2HB PHE 108 7.811 -3.597 4.341 809 HD1 PHE 108 2HD PHE 108 5.644 -4.609 3.808 810 HD2 PHE 108 1HD PHE 108 7.032 -4.281 7.819 811 HE1 PHE 108 2HE PHE 108 3.361 -5.022 4.629 812 HE2 PHE 108 1HE PHE 108 4.753 -4.695 8.645 813 HZ PHE 108 HZ PHE 108 2.913 -5.065 7.050 814 H VAL 109 H VAL 109 7.808 -5.215 2.620 815 HA VAL 109 HA VAL 109 5.708 -7.039 2.578 816 HB VAL 109 HB VAL 109 7.449 -6.076 0.307 817 HG11 VAL 109 1HG1 VAL 109 5.440 -6.766 -1.093 818 HG12 VAL 109 2HG1 VAL 109 6.478 -8.063 -0.500 819 HG13 VAL 109 3HG1 VAL 109 4.939 -7.730 0.295 820 HG21 VAL 109 1HG2 VAL 109 6.365 -4.170 0.783 821 HG22 VAL 109 2HG2 VAL 109 4.985 -4.948 0.006 822 HG23 VAL 109 3HG2 VAL 109 5.149 -4.991 1.762 823 H LEU 110 H LEU 110 9.138 -7.509 1.980 824 HA LEU 110 HA LEU 110 8.879 -10.172 0.980 825 HB2 LEU 110 1HB LEU 110 11.270 -8.756 2.149 826 HB3 LEU 110 2HB LEU 110 11.312 -10.285 1.274 827 HG LEU 110 HG LEU 110 10.251 -7.811 -0.042 828 HD11 LEU 110 1HD1 LEU 110 12.773 -7.904 -0.966 829 HD12 LEU 110 2HD1 LEU 110 13.041 -8.397 0.706 830 HD13 LEU 110 3HD1 LEU 110 12.254 -6.858 0.357 831 HD21 LEU 110 1HD2 LEU 110 10.198 -9.092 -1.860 832 HD22 LEU 110 2HD2 LEU 110 10.500 -10.469 -0.801 833 HD23 LEU 110 3HD2 LEU 110 11.849 -9.656 -1.597 834 H SER 111 H SER 111 9.196 -8.733 4.134 835 HA SER 111 HA SER 111 9.769 -11.270 5.421 836 HB2 SER 111 1HB SER 111 9.461 -8.440 6.391 837 HB3 SER 111 2HB SER 111 9.467 -9.785 7.531 838 HG SER 111 HG SER 111 11.496 -9.640 5.606 839 H GLN 112 H GLN 112 7.040 -9.423 4.523 840 HA GLN 112 HA GLN 112 5.280 -10.574 6.518 841 HB2 GLN 112 1HB GLN 112 4.925 -8.641 4.251 842 HB3 GLN 112 2HB GLN 112 3.524 -9.390 5.003 843 HG2 GLN 112 1HG GLN 112 5.554 -7.574 6.261 844 HG3 GLN 112 2HG GLN 112 3.823 -7.306 6.058 845 HE21 GLN 112 1HE2 GLN 112 5.666 -7.402 8.437 846 HE22 GLN 112 2HE2 GLN 112 4.891 -8.488 9.535 847 H ALA 113 H ALA 113 5.647 -10.731 2.981 848 HA ALA 113 HA ALA 113 3.760 -12.915 2.793 849 HB1 ALA 113 1HB ALA 113 4.789 -12.815 0.332 850 HB2 ALA 113 2HB ALA 113 3.542 -11.700 0.891 851 HB3 ALA 113 3HB ALA 113 5.233 -11.200 0.884 852 H LYS 114 H LYS 114 6.118 -13.375 4.404 853 HA LYS 114 HA LYS 114 7.534 -15.400 2.806 854 HB2 LYS 114 1HB LYS 114 8.838 -13.562 3.993 855 HB3 LYS 114 2HB LYS 114 8.376 -14.339 5.501 856 HG2 LYS 114 1HG LYS 114 10.403 -15.311 5.176 857 HG3 LYS 114 2HG LYS 114 9.386 -16.465 4.309 858 HD2 LYS 114 1HD LYS 114 9.859 -14.901 2.268 859 HD3 LYS 114 2HD LYS 114 11.243 -14.384 3.235 860 HE2 LYS 114 1HE LYS 114 10.636 -17.266 2.607 861 HE3 LYS 114 2HE LYS 114 11.687 -16.257 1.614 862 HZ1 LYS 114 1HZ LYS 114 12.339 -16.207 4.416 863 HZ2 LYS 114 2HZ LYS 114 13.347 -16.429 3.076 864 HZ3 LYS 114 3HZ LYS 114 12.494 -17.740 3.718 865 H ASP 115 H ASP 115 4.962 -15.206 4.763 866 HA ASP 115 HA ASP 115 3.769 -16.694 6.004 867 HB2 ASP 115 1HB ASP 115 4.281 -18.174 4.062 868 HB3 ASP 115 2HB ASP 115 5.705 -18.749 4.922 869 H GLU 116 H GLU 116 5.575 -15.274 7.442 870 HA GLU 116 HA GLU 116 6.988 -17.172 9.164 871 HB2 GLU 116 1HB GLU 116 7.174 -14.233 8.681 872 HB3 GLU 116 2HB GLU 116 7.683 -14.856 10.244 873 HG2 GLU 116 1HG GLU 116 9.169 -16.458 8.988 874 HG3 GLU 116 2HG GLU 116 8.798 -15.525 7.538 875 H LEU 117 H LEU 117 4.741 -17.897 9.820 876 HA LEU 117 HA LEU 117 3.040 -16.286 11.356 877 HB2 LEU 117 1HB LEU 117 1.919 -18.241 11.949 878 HB3 LEU 117 2HB LEU 117 2.606 -18.592 10.364 879 HG LEU 117 HG LEU 117 2.933 -20.548 11.598 880 HD11 LEU 117 1HD1 LEU 117 5.404 -20.607 12.038 881 HD12 LEU 117 2HD1 LEU 117 5.435 -18.879 11.689 882 HD13 LEU 117 3HD1 LEU 117 4.937 -20.020 10.441 883 HD21 LEU 117 1HD2 LEU 117 4.401 -19.686 13.894 884 HD22 LEU 117 2HD2 LEU 117 2.886 -20.586 13.816 885 HD23 LEU 117 3HD2 LEU 117 2.865 -18.822 13.825 Start of MODEL 11 1 H1 GLY 1 H GLY 1 2.128 -11.929 -17.353 2 HA2 GLY 1 1HA GLY 1 3.326 -9.510 -18.551 3 HA3 GLY 1 2HA GLY 1 1.586 -9.698 -18.397 4 H SER 2 H SER 2 1.027 -8.165 -16.967 5 HA SER 2 HA SER 2 2.068 -8.423 -14.254 6 HB2 SER 2 1HB SER 2 2.179 -5.884 -15.883 7 HB3 SER 2 2HB SER 2 2.247 -5.884 -14.121 8 HG SER 2 HG SER 2 4.328 -5.915 -15.193 9 H SER 3 H SER 3 0.392 -8.567 -12.933 10 HA SER 3 HA SER 3 -2.256 -8.322 -13.604 11 HB2 SER 3 1HB SER 3 -1.493 -9.411 -11.542 12 HB3 SER 3 2HB SER 3 -1.025 -7.845 -10.878 13 HG SER 3 HG SER 3 -3.646 -8.113 -11.775 14 H GLY 4 H GLY 4 -0.273 -5.867 -11.943 15 HA2 GLY 4 1HA GLY 4 -2.371 -3.898 -12.102 16 HA3 GLY 4 2HA GLY 4 -0.738 -3.640 -11.508 17 H SER 5 H SER 5 -2.610 -2.244 -13.504 18 HA SER 5 HA SER 5 -1.148 -2.388 -15.987 19 HB2 SER 5 1HB SER 5 -3.544 -0.902 -14.999 20 HB3 SER 5 2HB SER 5 -2.693 -0.272 -16.409 21 HG SER 5 HG SER 5 -3.017 -2.262 -17.432 22 H SER 6 H SER 6 -1.605 0.028 -13.421 23 HA SER 6 HA SER 6 0.065 2.000 -14.523 24 HB2 SER 6 1HB SER 6 -0.846 1.432 -11.706 25 HB3 SER 6 2HB SER 6 0.216 2.789 -12.082 26 HG SER 6 HG SER 6 -1.995 3.388 -12.106 27 H GLY 7 H GLY 7 2.219 2.479 -14.268 28 HA2 GLY 7 1HA GLY 7 3.876 0.254 -13.298 29 HA3 GLY 7 2HA GLY 7 4.394 1.504 -14.419 30 H THR 8 H THR 8 2.861 3.346 -12.373 31 HA THR 8 HA THR 8 5.192 3.663 -10.599 32 HB THR 8 HB THR 8 4.399 6.052 -10.364 33 HG1 THR 8 1HG THR 8 3.023 5.767 -12.784 34 HG21 THR 8 1HG2 THR 8 5.649 6.758 -12.176 35 HG22 THR 8 2HG2 THR 8 5.000 5.511 -13.242 36 HG23 THR 8 3HG2 THR 8 6.188 5.088 -12.010 37 H VAL 9 H VAL 9 1.663 4.125 -10.714 38 HA VAL 9 HA VAL 9 1.383 3.012 -8.071 39 HB VAL 9 HB VAL 9 0.650 5.906 -8.539 40 HG11 VAL 9 1HG1 VAL 9 -0.886 4.331 -7.123 41 HG12 VAL 9 2HG1 VAL 9 0.381 4.522 -5.910 42 HG13 VAL 9 3HG1 VAL 9 -0.469 5.938 -6.529 43 HG21 VAL 9 1HG2 VAL 9 2.703 4.609 -6.752 44 HG22 VAL 9 2HG2 VAL 9 3.002 5.694 -8.111 45 HG23 VAL 9 3HG2 VAL 9 2.225 6.304 -6.650 46 H LEU 10 H LEU 10 -0.517 1.989 -7.894 47 HA LEU 10 HA LEU 10 -2.408 2.214 -10.088 48 HB2 LEU 10 1HB LEU 10 -1.865 0.261 -7.924 49 HB3 LEU 10 2HB LEU 10 -3.511 0.342 -8.548 50 HG LEU 10 HG LEU 10 -2.203 0.127 -10.867 51 HD11 LEU 10 1HD1 LEU 10 -0.411 -1.608 -10.511 52 HD12 LEU 10 2HD1 LEU 10 -0.417 -1.146 -8.809 53 HD13 LEU 10 3HD1 LEU 10 0.012 0.039 -10.043 54 HD21 LEU 10 1HD2 LEU 10 -2.896 -2.157 -9.021 55 HD22 LEU 10 2HD2 LEU 10 -2.668 -2.281 -10.766 56 HD23 LEU 10 3HD2 LEU 10 -4.000 -1.323 -10.116 57 H ALA 11 H ALA 11 -4.023 3.615 -9.984 58 HA ALA 11 HA ALA 11 -4.882 4.733 -7.462 59 HB1 ALA 11 1HB ALA 11 -6.447 6.051 -8.933 60 HB2 ALA 11 2HB ALA 11 -4.727 6.269 -9.259 61 HB3 ALA 11 3HB ALA 11 -5.701 5.244 -10.313 62 H LEU 12 H LEU 12 -6.277 3.680 -6.216 63 HA LEU 12 HA LEU 12 -8.338 2.009 -7.483 64 HB2 LEU 12 1HB LEU 12 -7.384 1.988 -4.624 65 HB3 LEU 12 2HB LEU 12 -8.521 0.859 -5.358 66 HG LEU 12 HG LEU 12 -5.591 1.114 -6.034 67 HD11 LEU 12 1HD1 LEU 12 -5.679 0.067 -3.956 68 HD12 LEU 12 2HD1 LEU 12 -5.637 -1.273 -5.102 69 HD13 LEU 12 3HD1 LEU 12 -7.161 -0.804 -4.350 70 HD21 LEU 12 1HD2 LEU 12 -6.751 -1.291 -6.975 71 HD22 LEU 12 2HD2 LEU 12 -6.042 0.025 -7.912 72 HD23 LEU 12 3HD2 LEU 12 -7.764 0.043 -7.528 73 H THR 13 H THR 13 -10.490 2.046 -6.616 74 HA THR 13 HA THR 13 -11.172 4.523 -5.177 75 HB THR 13 HB THR 13 -12.969 5.025 -6.594 76 HG1 THR 13 1HG THR 13 -12.624 2.434 -7.738 77 HG21 THR 13 1HG2 THR 13 -10.768 3.961 -8.370 78 HG22 THR 13 2HG2 THR 13 -10.836 5.566 -7.642 79 HG23 THR 13 3HG2 THR 13 -12.019 5.101 -8.864 80 H GLU 14 H GLU 14 -13.782 4.291 -4.782 81 HA GLU 14 HA GLU 14 -13.964 2.051 -2.962 82 HB2 GLU 14 1HB GLU 14 -14.806 4.548 -2.682 83 HB3 GLU 14 2HB GLU 14 -16.255 3.902 -3.441 84 HG2 GLU 14 1HG GLU 14 -15.064 2.489 -1.101 85 HG3 GLU 14 2HG GLU 14 -16.029 3.943 -0.850 86 H ASN 15 H ASN 15 -13.904 1.357 -5.732 87 HA ASN 15 HA ASN 15 -16.517 0.029 -5.934 88 HB2 ASN 15 1HB ASN 15 -16.649 1.797 -7.543 89 HB3 ASN 15 2HB ASN 15 -15.031 1.450 -8.146 90 HD21 ASN 15 1HD2 ASN 15 -15.339 0.849 -10.181 91 HD22 ASN 15 2HD2 ASN 15 -16.403 -0.410 -10.703 92 H ASN 16 H ASN 16 -13.117 0.080 -6.894 93 HA ASN 16 HA ASN 16 -13.261 -2.824 -7.361 94 HB2 ASN 16 1HB ASN 16 -11.120 -2.498 -8.636 95 HB3 ASN 16 2HB ASN 16 -12.517 -1.694 -9.345 96 HD21 ASN 16 1HD2 ASN 16 -9.949 -1.037 -6.986 97 HD22 ASN 16 2HD2 ASN 16 -9.628 0.571 -7.529 98 H PHE 17 H PHE 17 -11.743 -0.290 -5.535 99 HA PHE 17 HA PHE 17 -9.447 -1.221 -4.549 100 HB2 PHE 17 1HB PHE 17 -10.272 0.770 -3.592 101 HB3 PHE 17 2HB PHE 17 -11.760 -0.004 -3.055 102 HD1 PHE 17 1HD PHE 17 -11.399 -1.981 -1.340 103 HD2 PHE 17 2HD PHE 17 -8.637 1.182 -2.037 104 HE1 PHE 17 1HE PHE 17 -10.400 -2.369 0.874 105 HE2 PHE 17 2HE PHE 17 -7.633 0.798 0.176 106 HZ PHE 17 HZ PHE 17 -8.514 -0.981 1.634 107 H ASP 18 H ASP 18 -12.586 -2.634 -3.936 108 HA ASP 18 HA ASP 18 -11.660 -4.437 -1.902 109 HB2 ASP 18 1HB ASP 18 -14.214 -4.309 -3.511 110 HB3 ASP 18 2HB ASP 18 -13.911 -5.525 -2.273 111 H ASP 19 H ASP 19 -12.575 -4.772 -5.322 112 HA ASP 19 HA ASP 19 -12.063 -7.515 -5.556 113 HB2 ASP 19 1HB ASP 19 -12.023 -5.279 -7.579 114 HB3 ASP 19 2HB ASP 19 -11.755 -6.960 -8.027 115 H THR 20 H THR 20 -9.975 -4.764 -6.440 116 HA THR 20 HA THR 20 -7.751 -5.991 -7.356 117 HB THR 20 HB THR 20 -7.888 -3.654 -5.450 118 HG1 THR 20 1HG THR 20 -8.783 -3.195 -7.448 119 HG21 THR 20 1HG2 THR 20 -5.531 -4.803 -6.935 120 HG22 THR 20 2HG2 THR 20 -5.679 -4.497 -5.205 121 HG23 THR 20 3HG2 THR 20 -5.575 -3.146 -6.334 122 H ILE 21 H ILE 21 -8.149 -5.213 -3.893 123 HA ILE 21 HA ILE 21 -5.969 -6.742 -3.015 124 HB ILE 21 HB ILE 21 -6.907 -6.559 -0.777 125 HG12 ILE 21 1HG1 ILE 21 -9.364 -5.356 -2.063 126 HG13 ILE 21 2HG1 ILE 21 -9.276 -7.021 -1.499 127 HG21 ILE 21 1HG2 ILE 21 -5.787 -4.613 -1.365 128 HG22 ILE 21 2HG2 ILE 21 -7.005 -4.153 -2.553 129 HG23 ILE 21 3HG2 ILE 21 -7.359 -4.014 -0.832 130 HD11 ILE 21 1HD1 ILE 21 -10.358 -5.733 0.176 131 HD12 ILE 21 2HD1 ILE 21 -8.748 -6.134 0.772 132 HD13 ILE 21 3HD1 ILE 21 -9.081 -4.518 0.150 133 H ALA 22 H ALA 22 -9.309 -7.592 -3.632 134 HA ALA 22 HA ALA 22 -9.484 -10.015 -2.281 135 HB1 ALA 22 1HB ALA 22 -11.458 -10.267 -3.337 136 HB2 ALA 22 2HB ALA 22 -11.169 -8.602 -3.840 137 HB3 ALA 22 3HB ALA 22 -10.773 -9.933 -4.927 138 H GLU 23 H GLU 23 -7.745 -9.191 -5.160 139 HA GLU 23 HA GLU 23 -7.047 -12.029 -5.537 140 HB2 GLU 23 1HB GLU 23 -7.053 -9.817 -7.598 141 HB3 GLU 23 2HB GLU 23 -6.565 -11.481 -7.887 142 HG2 GLU 23 1HG GLU 23 -9.285 -10.959 -6.806 143 HG3 GLU 23 2HG GLU 23 -8.966 -10.635 -8.509 144 H GLY 24 H GLY 24 -4.990 -12.580 -5.212 145 HA2 GLY 24 1HA GLY 24 -2.752 -12.401 -4.739 146 HA3 GLY 24 2HA GLY 24 -2.736 -11.122 -5.944 147 H ILE 25 H ILE 25 -0.973 -10.629 -4.168 148 HA ILE 25 HA ILE 25 -2.031 -9.271 -1.842 149 HB ILE 25 HB ILE 25 0.793 -9.528 -2.880 150 HG12 ILE 25 1HG1 ILE 25 -0.394 -10.757 -0.397 151 HG13 ILE 25 2HG1 ILE 25 -0.458 -11.569 -1.958 152 HG21 ILE 25 1HG2 ILE 25 1.444 -8.670 -0.633 153 HG22 ILE 25 2HG2 ILE 25 0.643 -7.477 -1.655 154 HG23 ILE 25 3HG2 ILE 25 -0.248 -8.262 -0.352 155 HD11 ILE 25 1HD1 ILE 25 1.589 -11.671 -0.079 156 HD12 ILE 25 2HD1 ILE 25 1.618 -12.295 -1.729 157 HD13 ILE 25 3HD1 ILE 25 2.213 -10.670 -1.390 158 H THR 26 H THR 26 -2.312 -7.132 -1.585 159 HA THR 26 HA THR 26 -1.305 -5.319 -3.668 160 HB THR 26 HB THR 26 -4.122 -5.343 -2.571 161 HG1 THR 26 1HG THR 26 -4.525 -6.394 -4.354 162 HG21 THR 26 1HG2 THR 26 -3.842 -3.502 -4.695 163 HG22 THR 26 2HG2 THR 26 -2.547 -3.163 -3.546 164 HG23 THR 26 3HG2 THR 26 -4.226 -3.162 -3.007 165 H PHE 27 H PHE 27 -0.042 -3.864 -2.733 166 HA PHE 27 HA PHE 27 -0.389 -3.225 0.086 167 HB2 PHE 27 1HB PHE 27 1.861 -3.720 -1.155 168 HB3 PHE 27 2HB PHE 27 1.747 -2.034 -1.646 169 HD1 PHE 27 1HD PHE 27 0.880 -3.698 1.568 170 HD2 PHE 27 2HD PHE 27 3.343 -0.875 -0.451 171 HE1 PHE 27 1HE PHE 27 1.853 -3.012 3.722 172 HE2 PHE 27 2HE PHE 27 4.320 -0.184 1.699 173 HZ PHE 27 HZ PHE 27 3.576 -1.253 3.788 174 H ILE 28 H ILE 28 -1.756 -1.651 0.591 175 HA ILE 28 HA ILE 28 -2.082 0.608 -1.258 176 HB ILE 28 HB ILE 28 -3.836 -0.129 1.086 177 HG12 ILE 28 1HG1 ILE 28 -4.562 -0.550 -1.798 178 HG13 ILE 28 2HG1 ILE 28 -3.657 -1.778 -0.921 179 HG21 ILE 28 1HG2 ILE 28 -4.208 1.798 -1.201 180 HG22 ILE 28 2HG2 ILE 28 -5.459 1.365 -0.037 181 HG23 ILE 28 3HG2 ILE 28 -4.004 2.202 0.503 182 HD11 ILE 28 1HD1 ILE 28 -5.692 -2.565 -0.432 183 HD12 ILE 28 2HD1 ILE 28 -5.680 -1.310 0.807 184 HD13 ILE 28 3HD1 ILE 28 -6.479 -1.018 -0.737 185 H LYS 29 H LYS 29 -2.005 2.748 -0.514 186 HA LYS 29 HA LYS 29 -0.858 3.146 2.163 187 HB2 LYS 29 1HB LYS 29 0.975 3.210 0.540 188 HB3 LYS 29 2HB LYS 29 0.119 4.429 -0.395 189 HG2 LYS 29 1HG LYS 29 0.682 5.015 2.459 190 HG3 LYS 29 2HG LYS 29 2.027 5.060 1.317 191 HD2 LYS 29 1HD LYS 29 -0.545 6.625 1.118 192 HD3 LYS 29 2HD LYS 29 1.042 7.268 1.546 193 HE2 LYS 29 1HE LYS 29 1.700 6.171 -0.772 194 HE3 LYS 29 2HE LYS 29 -0.018 6.400 -1.094 195 HZ1 LYS 29 1HZ LYS 29 0.168 8.686 -0.911 196 HZ2 LYS 29 2HZ LYS 29 1.602 8.268 -1.707 197 HZ3 LYS 29 3HZ LYS 29 1.624 8.617 -0.052 198 H PHE 30 H PHE 30 -2.328 4.291 3.236 199 HA PHE 30 HA PHE 30 -4.057 6.164 1.855 200 HB2 PHE 30 1HB PHE 30 -3.963 5.647 4.825 201 HB3 PHE 30 2HB PHE 30 -5.303 6.287 3.880 202 HD1 PHE 30 1HD PHE 30 -3.288 3.249 4.506 203 HD2 PHE 30 2HD PHE 30 -6.890 4.861 2.910 204 HE1 PHE 30 1HE PHE 30 -4.193 0.974 4.258 205 HE2 PHE 30 2HE PHE 30 -7.800 2.589 2.662 206 HZ PHE 30 HZ PHE 30 -6.452 0.642 3.337 207 H TYR 31 H TYR 31 -3.197 8.080 1.366 208 HA TYR 31 HA TYR 31 -1.624 9.462 3.442 209 HB2 TYR 31 1HB TYR 31 -0.234 10.387 1.829 210 HB3 TYR 31 2HB TYR 31 -0.530 8.782 1.171 211 HD1 TYR 31 2HD TYR 31 -1.240 12.361 0.804 212 HD2 TYR 31 1HD TYR 31 -1.856 8.482 -0.829 213 HE1 TYR 31 2HE TYR 31 -2.063 13.376 -1.281 214 HE2 TYR 31 1HE TYR 31 -2.679 9.485 -2.918 215 HH TYR 31 HH TYR 31 -3.804 12.301 -3.288 216 H ALA 32 H ALA 32 -1.641 11.947 2.961 217 HA ALA 32 HA ALA 32 -4.354 12.804 2.221 218 HB1 ALA 32 1HB ALA 32 -4.515 14.238 4.148 219 HB2 ALA 32 2HB ALA 32 -4.200 12.587 4.682 220 HB3 ALA 32 3HB ALA 32 -2.897 13.774 4.674 221 HA PRO 33 HA PRO 33 -2.141 15.801 -0.150 222 HB2 PRO 33 1HB PRO 33 -4.221 17.462 -0.684 223 HB3 PRO 33 2HB PRO 33 -4.014 15.895 -1.478 224 HG2 PRO 33 1HG PRO 33 -5.773 16.631 0.830 225 HG3 PRO 33 2HG PRO 33 -6.139 15.615 -0.576 226 HD2 PRO 33 1HD PRO 33 -5.507 14.581 1.845 227 HD3 PRO 33 2HD PRO 33 -5.080 13.774 0.321 228 H TRP 34 H TRP 34 -3.221 16.223 2.940 229 HA TRP 34 HA TRP 34 -2.348 19.037 3.017 230 HB2 TRP 34 1HB TRP 34 -3.658 19.202 5.136 231 HB3 TRP 34 2HB TRP 34 -4.648 18.865 3.719 232 HD1 TRP 34 HD TRP 34 -6.273 16.890 3.932 233 HE1 TRP 34 1HE TRP 34 -6.577 14.934 5.578 234 HE3 TRP 34 3HE TRP 34 -2.077 17.559 6.775 235 HZ2 TRP 34 2HZ TRP 34 -5.220 13.823 7.790 236 HZ3 TRP 34 3HZ TRP 34 -1.654 16.007 8.637 237 HH2 TRP 34 HH TRP 34 -3.194 14.179 9.133 238 H CYS 35 H CYS 35 -1.681 15.850 4.012 239 HA CYS 35 HA CYS 35 -0.217 16.462 6.388 240 HB2 CYS 35 1HB CYS 35 -1.179 14.238 6.019 241 HB3 CYS 35 2HB CYS 35 -0.139 14.009 4.619 242 HG CYS 35 HG CYS 35 0.474 13.373 7.780 243 H GLY 36 H GLY 36 1.933 16.827 6.675 244 HA2 GLY 36 1HA GLY 36 3.417 17.816 4.445 245 HA3 GLY 36 2HA GLY 36 4.001 17.663 6.095 246 H HIS 37 H HIS 37 4.399 15.308 6.775 247 HA HIS 37 HA HIS 37 6.528 14.227 5.572 248 HB2 HIS 37 1HB HIS 37 5.228 13.414 7.658 249 HB3 HIS 37 2HB HIS 37 4.379 12.356 6.535 250 HD1 HIS 37 1HD HIS 37 5.717 10.401 5.507 251 HD2 HIS 37 2HD HIS 37 7.887 12.718 8.185 252 HE1 HIS 37 1HE HIS 37 7.798 9.080 6.004 253 HE2 HIS 37 2HE HIS 37 9.056 10.464 7.692 254 H CYS 38 H CYS 38 3.183 13.363 4.717 255 HA CYS 38 HA CYS 38 3.451 11.456 2.858 256 HB2 CYS 38 1HB CYS 38 1.267 12.193 3.133 257 HB3 CYS 38 2HB CYS 38 1.700 13.883 2.910 258 HG CYS 38 HG CYS 38 0.844 11.574 0.631 259 H LYS 39 H LYS 39 3.973 14.911 2.193 260 HA LYS 39 HA LYS 39 4.560 14.838 -0.479 261 HB2 LYS 39 1HB LYS 39 5.474 16.542 1.783 262 HB3 LYS 39 2HB LYS 39 6.346 16.682 0.262 263 HG2 LYS 39 1HG LYS 39 4.774 18.274 -0.084 264 HG3 LYS 39 2HG LYS 39 3.882 16.880 -0.698 265 HD2 LYS 39 1HD LYS 39 2.300 17.737 0.703 266 HD3 LYS 39 2HD LYS 39 3.155 16.699 1.848 267 HE2 LYS 39 1HE LYS 39 3.512 19.668 1.458 268 HE3 LYS 39 2HE LYS 39 2.804 18.856 2.854 269 HZ1 LYS 39 1HZ LYS 39 5.631 18.635 1.968 270 HZ2 LYS 39 2HZ LYS 39 4.955 17.834 3.295 271 HZ3 LYS 39 3HZ LYS 39 5.075 19.521 3.298 272 H THR 40 H THR 40 6.745 14.116 2.213 273 HA THR 40 HA THR 40 9.033 13.668 0.581 274 HB THR 40 HB THR 40 8.894 14.134 3.147 275 HG1 THR 40 1HG THR 40 10.967 13.305 3.305 276 HG21 THR 40 1HG2 THR 40 7.689 11.656 3.137 277 HG22 THR 40 2HG2 THR 40 8.391 12.454 4.544 278 HG23 THR 40 3HG2 THR 40 9.344 11.291 3.623 279 H LEU 41 H LEU 41 6.294 11.763 1.421 280 HA LEU 41 HA LEU 41 7.616 9.279 0.617 281 HB2 LEU 41 1HB LEU 41 6.248 9.279 2.658 282 HB3 LEU 41 2HB LEU 41 4.842 9.743 1.702 283 HG LEU 41 HG LEU 41 5.243 7.546 0.425 284 HD11 LEU 41 1HD1 LEU 41 6.269 6.099 2.604 285 HD12 LEU 41 2HD1 LEU 41 7.376 7.444 2.329 286 HD13 LEU 41 3HD1 LEU 41 6.999 6.331 1.015 287 HD21 LEU 41 1HD2 LEU 41 4.096 7.953 3.129 288 HD22 LEU 41 2HD2 LEU 41 4.243 6.294 2.547 289 HD23 LEU 41 3HD2 LEU 41 3.313 7.475 1.623 290 H ALA 42 H ALA 42 5.742 11.757 -0.691 291 HA ALA 42 HA ALA 42 3.983 10.603 -2.438 292 HB1 ALA 42 1HB ALA 42 5.302 13.118 -2.206 293 HB2 ALA 42 2HB ALA 42 5.304 12.629 -3.902 294 HB3 ALA 42 3HB ALA 42 3.782 12.734 -3.017 295 HA PRO 43 HA PRO 43 7.439 9.950 -5.744 296 HB2 PRO 43 1HB PRO 43 10.011 10.346 -4.971 297 HB3 PRO 43 2HB PRO 43 8.997 11.634 -5.633 298 HG2 PRO 43 1HG PRO 43 9.653 11.017 -2.777 299 HG3 PRO 43 2HG PRO 43 9.589 12.588 -3.596 300 HD2 PRO 43 1HD PRO 43 7.576 11.679 -2.030 301 HD3 PRO 43 2HD PRO 43 7.293 12.717 -3.442 302 H THR 44 H THR 44 8.371 9.182 -2.419 303 HA THR 44 HA THR 44 9.870 6.880 -2.902 304 HB THR 44 HB THR 44 8.077 7.369 -0.517 305 HG1 THR 44 1HG THR 44 10.573 8.407 -1.274 306 HG21 THR 44 1HG2 THR 44 10.108 5.351 -1.194 307 HG22 THR 44 2HG2 THR 44 8.780 5.279 -0.035 308 HG23 THR 44 3HG2 THR 44 10.287 6.085 0.399 309 H TRP 45 H TRP 45 6.398 7.161 -2.146 310 HA TRP 45 HA TRP 45 5.692 4.506 -2.194 311 HB2 TRP 45 1HB TRP 45 4.197 6.463 -1.659 312 HB3 TRP 45 2HB TRP 45 4.015 6.717 -3.392 313 HD1 TRP 45 HD TRP 45 1.782 5.787 -4.192 314 HE1 TRP 45 1HE TRP 45 0.318 3.745 -3.638 315 HE3 TRP 45 3HE TRP 45 4.658 3.698 -0.518 316 HZ2 TRP 45 2HZ TRP 45 0.374 1.540 -1.878 317 HZ3 TRP 45 3HZ TRP 45 3.882 1.623 0.550 318 HH2 TRP 45 HH TRP 45 1.783 0.567 -0.116 319 H GLU 46 H GLU 46 6.316 6.649 -4.905 320 HA GLU 46 HA GLU 46 5.320 4.919 -6.924 321 HB2 GLU 46 1HB GLU 46 7.195 7.272 -6.949 322 HB3 GLU 46 2HB GLU 46 6.851 6.358 -8.411 323 HG2 GLU 46 1HG GLU 46 4.554 6.937 -8.339 324 HG3 GLU 46 2HG GLU 46 4.708 7.604 -6.715 325 H GLU 47 H GLU 47 8.541 5.461 -5.558 326 HA GLU 47 HA GLU 47 10.054 3.895 -7.262 327 HB2 GLU 47 1HB GLU 47 10.375 4.273 -4.280 328 HB3 GLU 47 2HB GLU 47 11.603 3.595 -5.339 329 HG2 GLU 47 1HG GLU 47 11.464 5.771 -6.641 330 HG3 GLU 47 2HG GLU 47 10.545 6.400 -5.274 331 H LEU 48 H LEU 48 8.210 2.910 -4.401 332 HA LEU 48 HA LEU 48 8.987 0.257 -4.241 333 HB2 LEU 48 1HB LEU 48 7.524 1.541 -2.645 334 HB3 LEU 48 2HB LEU 48 6.188 1.255 -3.759 335 HG LEU 48 HG LEU 48 6.556 -1.204 -3.427 336 HD11 LEU 48 1HD1 LEU 48 7.894 -1.984 -1.623 337 HD12 LEU 48 2HD1 LEU 48 8.248 -0.340 -1.092 338 HD13 LEU 48 3HD1 LEU 48 8.911 -0.938 -2.613 339 HD21 LEU 48 1HD2 LEU 48 5.878 -0.833 -0.802 340 HD22 LEU 48 2HD2 LEU 48 4.767 -0.736 -2.169 341 HD23 LEU 48 3HD2 LEU 48 5.493 0.734 -1.516 342 H SER 49 H SER 49 6.134 1.548 -5.950 343 HA SER 49 HA SER 49 5.092 -0.684 -7.065 344 HB2 SER 49 1HB SER 49 4.129 0.664 -8.740 345 HB3 SER 49 2HB SER 49 4.404 1.777 -7.400 346 HG SER 49 HG SER 49 5.593 2.889 -8.711 347 H LYS 50 H LYS 50 7.934 1.067 -8.239 348 HA LYS 50 HA LYS 50 8.357 -0.512 -10.543 349 HB2 LYS 50 1HB LYS 50 10.247 1.182 -8.905 350 HB3 LYS 50 2HB LYS 50 10.696 0.417 -10.424 351 HG2 LYS 50 1HG LYS 50 9.289 1.784 -11.672 352 HG3 LYS 50 2HG LYS 50 8.327 2.239 -10.265 353 HD2 LYS 50 1HD LYS 50 10.600 3.250 -9.429 354 HD3 LYS 50 2HD LYS 50 10.998 3.237 -11.148 355 HE2 LYS 50 1HE LYS 50 8.843 4.468 -11.548 356 HE3 LYS 50 2HE LYS 50 8.698 4.640 -9.799 357 HZ1 LYS 50 1HZ LYS 50 10.619 5.891 -11.634 358 HZ2 LYS 50 2HZ LYS 50 11.083 5.611 -10.032 359 HZ3 LYS 50 3HZ LYS 50 9.738 6.582 -10.365 360 H LYS 51 H LYS 51 9.390 -0.821 -7.200 361 HA LYS 51 HA LYS 51 11.381 -2.722 -7.417 362 HB2 LYS 51 1HB LYS 51 9.243 -2.566 -5.285 363 HB3 LYS 51 2HB LYS 51 10.777 -3.414 -5.138 364 HG2 LYS 51 1HG LYS 51 10.671 -0.477 -5.717 365 HG3 LYS 51 2HG LYS 51 10.563 -1.100 -4.069 366 HD2 LYS 51 1HD LYS 51 12.775 -2.006 -5.866 367 HD3 LYS 51 2HD LYS 51 12.883 -0.440 -5.060 368 HE2 LYS 51 1HE LYS 51 12.138 -2.812 -3.429 369 HE3 LYS 51 2HE LYS 51 13.815 -2.659 -3.950 370 HZ1 LYS 51 1HZ LYS 51 13.710 -0.340 -3.001 371 HZ2 LYS 51 2HZ LYS 51 13.686 -1.603 -1.876 372 HZ3 LYS 51 3HZ LYS 51 12.254 -0.791 -2.266 373 H GLU 52 H GLU 52 11.110 -5.073 -6.610 374 HA GLU 52 HA GLU 52 8.717 -6.333 -7.726 375 HB2 GLU 52 1HB GLU 52 11.407 -7.483 -8.383 376 HB3 GLU 52 2HB GLU 52 9.863 -7.755 -9.178 377 HG2 GLU 52 1HG GLU 52 9.924 -5.524 -10.123 378 HG3 GLU 52 2HG GLU 52 11.437 -5.191 -9.281 379 H PHE 53 H PHE 53 8.138 -8.251 -6.764 380 HA PHE 53 HA PHE 53 9.741 -9.023 -4.419 381 HB2 PHE 53 1HB PHE 53 6.810 -9.617 -4.786 382 HB3 PHE 53 2HB PHE 53 7.749 -9.639 -3.297 383 HD1 PHE 53 1HD PHE 53 6.064 -7.522 -5.762 384 HD2 PHE 53 2HD PHE 53 8.235 -7.609 -2.102 385 HE1 PHE 53 1HE PHE 53 5.382 -5.202 -5.307 386 HE2 PHE 53 2HE PHE 53 7.556 -5.289 -1.641 387 HZ PHE 53 HZ PHE 53 6.127 -4.083 -3.244 388 HA PRO 54 HA PRO 54 10.138 -12.632 -7.208 389 HB2 PRO 54 1HB PRO 54 12.574 -13.358 -6.254 390 HB3 PRO 54 2HB PRO 54 12.360 -12.125 -7.503 391 HG2 PRO 54 1HG PRO 54 12.808 -11.785 -4.562 392 HG3 PRO 54 2HG PRO 54 13.530 -10.894 -5.914 393 HD2 PRO 54 1HD PRO 54 11.475 -9.909 -4.452 394 HD3 PRO 54 2HD PRO 54 11.681 -9.545 -6.178 395 H GLY 55 H GLY 55 9.341 -14.579 -6.711 396 HA2 GLY 55 1HA GLY 55 9.217 -16.585 -5.471 397 HA3 GLY 55 2HA GLY 55 9.883 -15.740 -4.081 398 H LEU 56 H LEU 56 7.934 -13.503 -4.504 399 HA LEU 56 HA LEU 56 5.719 -14.766 -3.078 400 HB2 LEU 56 1HB LEU 56 6.327 -11.843 -3.489 401 HB3 LEU 56 2HB LEU 56 5.089 -12.511 -2.428 402 HG LEU 56 HG LEU 56 8.078 -12.698 -2.084 403 HD11 LEU 56 1HD1 LEU 56 7.655 -10.686 -1.165 404 HD12 LEU 56 2HD1 LEU 56 7.094 -11.657 0.195 405 HD13 LEU 56 3HD1 LEU 56 5.933 -11.016 -0.968 406 HD21 LEU 56 1HD2 LEU 56 5.840 -14.014 -0.558 407 HD22 LEU 56 2HD2 LEU 56 7.477 -13.829 0.074 408 HD23 LEU 56 3HD2 LEU 56 7.194 -14.792 -1.378 409 H ALA 57 H ALA 57 3.499 -14.001 -3.545 410 HA ALA 57 HA ALA 57 2.806 -14.444 -6.227 411 HB1 ALA 57 1HB ALA 57 1.415 -14.625 -4.010 412 HB2 ALA 57 2HB ALA 57 0.941 -12.978 -4.424 413 HB3 ALA 57 3HB ALA 57 0.620 -14.296 -5.550 414 H GLY 58 H GLY 58 1.818 -13.025 -7.763 415 HA2 GLY 58 1HA GLY 58 3.214 -10.724 -8.350 416 HA3 GLY 58 2HA GLY 58 1.599 -11.069 -8.952 417 H VAL 59 H VAL 59 3.455 -9.462 -6.455 418 HA VAL 59 HA VAL 59 1.241 -8.382 -5.040 419 HB VAL 59 HB VAL 59 4.084 -7.366 -5.181 420 HG11 VAL 59 1HG1 VAL 59 1.749 -6.666 -3.437 421 HG12 VAL 59 2HG1 VAL 59 3.406 -6.458 -2.868 422 HG13 VAL 59 3HG1 VAL 59 2.850 -5.596 -4.303 423 HG21 VAL 59 1HG2 VAL 59 4.135 -9.597 -4.374 424 HG22 VAL 59 2HG2 VAL 59 4.262 -8.549 -2.961 425 HG23 VAL 59 3HG2 VAL 59 2.728 -9.330 -3.345 426 H LYS 60 H LYS 60 0.632 -6.121 -4.941 427 HA LYS 60 HA LYS 60 1.140 -4.618 -7.413 428 HB2 LYS 60 1HB LYS 60 -1.537 -5.240 -6.174 429 HB3 LYS 60 2HB LYS 60 -1.307 -3.908 -7.299 430 HG2 LYS 60 1HG LYS 60 -0.625 -5.433 -9.036 431 HG3 LYS 60 2HG LYS 60 -0.698 -6.793 -7.913 432 HD2 LYS 60 1HD LYS 60 -3.103 -5.078 -8.440 433 HD3 LYS 60 2HD LYS 60 -2.683 -6.420 -9.508 434 HE2 LYS 60 1HE LYS 60 -2.527 -7.710 -7.196 435 HE3 LYS 60 2HE LYS 60 -3.650 -6.446 -6.699 436 HZ1 LYS 60 1HZ LYS 60 -4.429 -7.511 -9.198 437 HZ2 LYS 60 2HZ LYS 60 -5.288 -7.483 -7.742 438 HZ3 LYS 60 3HZ LYS 60 -4.241 -8.768 -8.082 439 H ILE 61 H ILE 61 1.043 -2.365 -7.225 440 HA ILE 61 HA ILE 61 0.970 -1.364 -4.452 441 HB ILE 61 HB ILE 61 2.670 -0.361 -6.738 442 HG12 ILE 61 1HG1 ILE 61 3.642 -2.365 -5.906 443 HG13 ILE 61 2HG1 ILE 61 4.535 -1.048 -5.152 444 HG21 ILE 61 1HG2 ILE 61 3.692 1.032 -4.856 445 HG22 ILE 61 2HG2 ILE 61 2.126 1.539 -5.486 446 HG23 ILE 61 3HG2 ILE 61 2.219 0.668 -3.956 447 HD11 ILE 61 1HD1 ILE 61 4.189 -2.537 -3.418 448 HD12 ILE 61 2HD1 ILE 61 2.898 -1.357 -3.194 449 HD13 ILE 61 3HD1 ILE 61 2.547 -2.916 -3.936 450 H ALA 62 H ALA 62 -0.883 -0.300 -4.182 451 HA ALA 62 HA ALA 62 -1.723 1.581 -6.292 452 HB1 ALA 62 1HB ALA 62 -3.171 -0.580 -5.134 453 HB2 ALA 62 2HB ALA 62 -3.951 0.934 -4.675 454 HB3 ALA 62 3HB ALA 62 -3.688 0.559 -6.378 455 H GLU 63 H GLU 63 -2.913 3.471 -5.526 456 HA GLU 63 HA GLU 63 -2.143 4.239 -2.786 457 HB2 GLU 63 1HB GLU 63 -0.760 5.518 -4.214 458 HB3 GLU 63 2HB GLU 63 -2.074 5.834 -5.338 459 HG2 GLU 63 1HG GLU 63 -3.058 7.411 -3.932 460 HG3 GLU 63 2HG GLU 63 -2.157 6.853 -2.524 461 H VAL 64 H VAL 64 -3.560 5.636 -1.659 462 HA VAL 64 HA VAL 64 -6.196 6.102 -2.835 463 HB VAL 64 HB VAL 64 -5.784 4.642 -0.222 464 HG11 VAL 64 1HG1 VAL 64 -7.616 6.091 0.114 465 HG12 VAL 64 2HG1 VAL 64 -8.250 5.790 -1.506 466 HG13 VAL 64 3HG1 VAL 64 -8.315 4.521 -0.282 467 HG21 VAL 64 1HG2 VAL 64 -5.510 3.203 -2.163 468 HG22 VAL 64 2HG2 VAL 64 -7.014 2.823 -1.324 469 HG23 VAL 64 3HG2 VAL 64 -7.050 3.762 -2.816 470 H ASP 65 H ASP 65 -7.168 7.939 -2.136 471 HA ASP 65 HA ASP 65 -5.632 9.602 -0.279 472 HB2 ASP 65 1HB ASP 65 -7.262 11.401 -1.167 473 HB3 ASP 65 2HB ASP 65 -6.012 10.799 -2.254 474 H CYS 66 H CYS 66 -6.541 10.577 1.521 475 HA CYS 66 HA CYS 66 -8.857 9.191 2.608 476 HB2 CYS 66 1HB CYS 66 -6.769 11.013 3.785 477 HB3 CYS 66 2HB CYS 66 -8.220 10.579 4.683 478 H THR 67 H THR 67 -7.852 12.452 1.718 479 HA THR 67 HA THR 67 -10.242 13.714 2.646 480 HB THR 67 HB THR 67 -9.451 15.684 1.365 481 HG1 THR 67 1HG THR 67 -7.737 13.746 0.311 482 HG21 THR 67 1HG2 THR 67 -8.543 15.817 3.453 483 HG22 THR 67 2HG2 THR 67 -7.052 15.640 2.528 484 HG23 THR 67 3HG2 THR 67 -7.761 14.241 3.333 485 H ALA 68 H ALA 68 -9.681 11.676 0.093 486 HA ALA 68 HA ALA 68 -11.902 12.836 -1.462 487 HB1 ALA 68 1HB ALA 68 -10.490 11.027 -3.096 488 HB2 ALA 68 2HB ALA 68 -10.590 12.783 -3.248 489 HB3 ALA 68 3HB ALA 68 -9.289 12.051 -2.307 490 H GLU 69 H GLU 69 -10.453 9.925 -0.136 491 HA GLU 69 HA GLU 69 -12.990 8.514 -0.638 492 HB2 GLU 69 1HB GLU 69 -10.174 7.428 -0.744 493 HB3 GLU 69 2HB GLU 69 -11.603 6.405 -0.684 494 HG2 GLU 69 1HG GLU 69 -10.679 8.219 -2.873 495 HG3 GLU 69 2HG GLU 69 -11.068 6.501 -2.941 496 H ARG 70 H ARG 70 -13.426 9.551 1.517 497 HA ARG 70 HA ARG 70 -12.051 8.765 3.844 498 HB2 ARG 70 1HB ARG 70 -14.984 9.449 3.736 499 HB3 ARG 70 2HB ARG 70 -13.858 9.702 5.064 500 HG2 ARG 70 1HG ARG 70 -13.835 11.811 4.309 501 HG3 ARG 70 2HG ARG 70 -12.679 11.177 3.136 502 HD2 ARG 70 1HD ARG 70 -14.116 12.155 1.680 503 HD3 ARG 70 2HD ARG 70 -14.935 10.602 1.840 504 HE ARG 70 HE ARG 70 -16.697 11.741 2.712 505 HH11 ARG 70 2HH1 ARG 70 -13.801 13.564 3.353 506 HH12 ARG 70 1HH1 ARG 70 -14.638 14.868 4.129 507 HH21 ARG 70 2HH2 ARG 70 -17.810 13.450 3.732 508 HH22 ARG 70 1HH2 ARG 70 -16.918 14.801 4.346 509 H ASN 71 H ASN 71 -15.106 7.550 2.462 510 HA ASN 71 HA ASN 71 -15.912 5.658 4.149 511 HB2 ASN 71 1HB ASN 71 -15.738 5.676 1.176 512 HB3 ASN 71 2HB ASN 71 -16.175 4.160 1.956 513 HD21 ASN 71 1HD2 ASN 71 -18.263 3.855 2.108 514 HD22 ASN 71 2HD2 ASN 71 -19.466 5.081 2.299 515 H ILE 72 H ILE 72 -13.115 5.293 2.008 516 HA ILE 72 HA ILE 72 -12.510 2.643 2.921 517 HB ILE 72 HB ILE 72 -10.767 4.586 1.399 518 HG12 ILE 72 1HG1 ILE 72 -12.575 2.356 0.444 519 HG13 ILE 72 2HG1 ILE 72 -12.812 4.080 0.177 520 HG21 ILE 72 1HG2 ILE 72 -10.425 1.633 1.288 521 HG22 ILE 72 2HG2 ILE 72 -9.237 2.918 1.073 522 HG23 ILE 72 3HG2 ILE 72 -9.803 2.504 2.691 523 HD11 ILE 72 1HD1 ILE 72 -11.814 3.729 -1.778 524 HD12 ILE 72 2HD1 ILE 72 -10.313 3.654 -0.853 525 HD13 ILE 72 3HD1 ILE 72 -11.169 2.169 -1.270 526 H CYS 73 H CYS 73 -10.724 5.721 3.230 527 HA CYS 73 HA CYS 73 -8.834 4.891 5.065 528 HB2 CYS 73 1HB CYS 73 -10.060 7.533 4.407 529 HB3 CYS 73 2HB CYS 73 -9.037 7.418 5.834 530 H SER 74 H SER 74 -11.826 6.672 5.855 531 HA SER 74 HA SER 74 -11.755 6.653 8.560 532 HB2 SER 74 1HB SER 74 -14.164 6.102 6.814 533 HB3 SER 74 2HB SER 74 -14.249 6.524 8.524 534 HG SER 74 HG SER 74 -12.799 8.183 6.798 535 H LYS 75 H LYS 75 -12.852 3.963 6.522 536 HA LYS 75 HA LYS 75 -13.671 2.200 8.494 537 HB2 LYS 75 1HB LYS 75 -13.948 1.854 6.048 538 HB3 LYS 75 2HB LYS 75 -12.232 1.482 5.934 539 HG2 LYS 75 1HG LYS 75 -12.691 -0.368 7.625 540 HG3 LYS 75 2HG LYS 75 -14.400 -0.095 7.276 541 HD2 LYS 75 1HD LYS 75 -13.956 -0.513 4.890 542 HD3 LYS 75 2HD LYS 75 -12.265 -0.837 5.276 543 HE2 LYS 75 1HE LYS 75 -12.812 -2.783 6.490 544 HE3 LYS 75 2HE LYS 75 -14.522 -2.358 6.552 545 HZ1 LYS 75 1HZ LYS 75 -14.180 -4.080 4.939 546 HZ2 LYS 75 2HZ LYS 75 -12.993 -3.176 4.142 547 HZ3 LYS 75 3HZ LYS 75 -14.602 -2.658 4.125 548 H TYR 76 H TYR 76 -10.418 2.817 7.259 549 HA TYR 76 HA TYR 76 -9.275 0.833 9.053 550 HB2 TYR 76 1HB TYR 76 -8.039 2.676 7.001 551 HB3 TYR 76 2HB TYR 76 -7.106 1.577 8.010 552 HD1 TYR 76 1HD TYR 76 -7.946 -0.941 7.936 553 HD2 TYR 76 2HD TYR 76 -8.675 1.952 4.904 554 HE1 TYR 76 1HE TYR 76 -8.305 -2.748 6.307 555 HE2 TYR 76 2HE TYR 76 -9.038 0.154 3.267 556 HH TYR 76 HH TYR 76 -9.229 -3.194 4.225 557 H SER 77 H SER 77 -10.612 3.374 9.971 558 HA SER 77 HA SER 77 -10.189 5.215 11.309 559 HB2 SER 77 1HB SER 77 -9.222 4.498 13.472 560 HB3 SER 77 2HB SER 77 -10.420 3.353 12.873 561 HG SER 77 HG SER 77 -8.919 1.901 12.943 562 H VAL 78 H VAL 78 -8.432 5.305 9.161 563 HA VAL 78 HA VAL 78 -5.716 5.551 9.930 564 HB VAL 78 HB VAL 78 -7.133 6.851 7.600 565 HG11 VAL 78 1HG1 VAL 78 -4.377 6.200 7.147 566 HG12 VAL 78 2HG1 VAL 78 -5.189 7.763 7.033 567 HG13 VAL 78 3HG1 VAL 78 -4.527 7.222 8.575 568 HG21 VAL 78 1HG2 VAL 78 -5.501 4.331 7.525 569 HG22 VAL 78 2HG2 VAL 78 -7.240 4.309 7.819 570 HG23 VAL 78 3HG2 VAL 78 -6.609 4.962 6.307 571 H ARG 79 H ARG 79 -5.025 6.961 11.399 572 HA ARG 79 HA ARG 79 -6.092 9.706 11.304 573 HB2 ARG 79 1HB ARG 79 -5.418 7.929 13.610 574 HB3 ARG 79 2HB ARG 79 -5.210 9.666 13.790 575 HG2 ARG 79 1HG ARG 79 -7.794 8.646 12.729 576 HG3 ARG 79 2HG ARG 79 -7.455 8.485 14.453 577 HD2 ARG 79 1HD ARG 79 -6.933 10.936 14.484 578 HD3 ARG 79 2HD ARG 79 -7.522 11.018 12.824 579 HE ARG 79 HE ARG 79 -9.584 9.876 14.138 580 HH11 ARG 79 2HH1 ARG 79 -7.691 12.740 14.718 581 HH12 ARG 79 1HH1 ARG 79 -8.987 13.598 15.485 582 HH21 ARG 79 2HH2 ARG 79 -11.296 10.995 15.146 583 HH22 ARG 79 1HH2 ARG 79 -11.036 12.605 15.728 584 H GLY 80 H GLY 80 -3.241 7.702 11.929 585 HA2 GLY 80 1HA GLY 80 -1.529 10.078 11.786 586 HA3 GLY 80 2HA GLY 80 -1.030 8.474 12.305 587 H TYR 81 H TYR 81 -1.149 10.681 9.733 588 HA TYR 81 HA TYR 81 -0.520 8.611 7.752 589 HB2 TYR 81 1HB TYR 81 -0.770 11.493 7.018 590 HB3 TYR 81 2HB TYR 81 -1.216 10.060 6.099 591 HD1 TYR 81 2HD TYR 81 -2.221 12.092 9.050 592 HD2 TYR 81 1HD TYR 81 -3.440 9.348 6.035 593 HE1 TYR 81 2HE TYR 81 -4.565 12.392 9.732 594 HE2 TYR 81 1HE TYR 81 -5.787 9.641 6.709 595 HH TYR 81 HH TYR 81 -6.709 11.992 9.180 596 HA PRO 82 HA PRO 82 0.322 8.888 5.564 597 HB2 PRO 82 1HB PRO 82 2.294 7.243 4.684 598 HB3 PRO 82 2HB PRO 82 2.164 8.935 4.191 599 HG2 PRO 82 1HG PRO 82 3.916 7.700 6.281 600 HG3 PRO 82 2HG PRO 82 4.317 8.933 5.072 601 HD2 PRO 82 1HD PRO 82 3.785 9.543 7.656 602 HD3 PRO 82 2HD PRO 82 3.380 10.635 6.315 603 H THR 83 H THR 83 -0.336 6.663 5.173 604 HA THR 83 HA THR 83 0.177 4.854 7.438 605 HB THR 83 HB THR 83 -2.532 5.165 6.141 606 HG1 THR 83 1HG THR 83 -2.495 6.013 8.678 607 HG21 THR 83 1HG2 THR 83 -2.294 3.019 7.143 608 HG22 THR 83 2HG2 THR 83 -3.235 3.999 8.268 609 HG23 THR 83 3HG2 THR 83 -1.524 3.701 8.575 610 H LEU 84 H LEU 84 0.508 2.756 6.927 611 HA LEU 84 HA LEU 84 0.011 1.922 4.149 612 HB2 LEU 84 1HB LEU 84 2.371 0.918 5.687 613 HB3 LEU 84 2HB LEU 84 2.101 0.930 3.946 614 HG LEU 84 HG LEU 84 2.648 3.390 5.604 615 HD11 LEU 84 1HD1 LEU 84 4.587 1.942 5.634 616 HD12 LEU 84 2HD1 LEU 84 4.884 3.325 4.582 617 HD13 LEU 84 3HD1 LEU 84 4.504 1.752 3.883 618 HD21 LEU 84 1HD2 LEU 84 2.128 4.546 3.784 619 HD22 LEU 84 2HD2 LEU 84 1.612 3.052 3.001 620 HD23 LEU 84 3HD2 LEU 84 3.276 3.610 2.827 621 H LEU 85 H LEU 85 -0.847 -0.073 3.872 622 HA LEU 85 HA LEU 85 -0.867 -1.972 6.077 623 HB2 LEU 85 1HB LEU 85 -3.387 -0.889 4.828 624 HB3 LEU 85 2HB LEU 85 -3.314 -2.277 5.911 625 HG LEU 85 HG LEU 85 -2.417 0.473 6.741 626 HD11 LEU 85 1HD1 LEU 85 -4.982 -0.079 6.009 627 HD12 LEU 85 2HD1 LEU 85 -4.506 1.135 7.195 628 HD13 LEU 85 3HD1 LEU 85 -5.004 -0.470 7.729 629 HD21 LEU 85 1HD2 LEU 85 -2.491 -0.364 8.931 630 HD22 LEU 85 2HD2 LEU 85 -1.716 -1.638 7.988 631 HD23 LEU 85 3HD2 LEU 85 -3.411 -1.789 8.449 632 H LEU 86 H LEU 86 -0.613 -3.985 5.349 633 HA LEU 86 HA LEU 86 -0.734 -4.450 2.477 634 HB2 LEU 86 1HB LEU 86 1.245 -5.137 3.790 635 HB3 LEU 86 2HB LEU 86 0.227 -6.260 4.689 636 HG LEU 86 HG LEU 86 -0.262 -7.316 2.385 637 HD11 LEU 86 1HD1 LEU 86 2.147 -5.624 1.781 638 HD12 LEU 86 2HD1 LEU 86 0.619 -5.706 0.905 639 HD13 LEU 86 3HD1 LEU 86 1.738 -7.069 0.857 640 HD21 LEU 86 1HD2 LEU 86 1.029 -8.912 3.223 641 HD22 LEU 86 2HD2 LEU 86 1.716 -7.741 4.350 642 HD23 LEU 86 3HD2 LEU 86 2.480 -8.008 2.782 643 H PHE 87 H PHE 87 -1.893 -6.165 1.530 644 HA PHE 87 HA PHE 87 -3.918 -7.469 3.199 645 HB2 PHE 87 1HB PHE 87 -4.533 -6.039 0.603 646 HB3 PHE 87 2HB PHE 87 -5.678 -6.967 1.566 647 HD1 PHE 87 1HD PHE 87 -3.528 -3.956 1.586 648 HD2 PHE 87 2HD PHE 87 -6.824 -5.983 3.359 649 HE1 PHE 87 1HE PHE 87 -4.084 -1.928 2.864 650 HE2 PHE 87 2HE PHE 87 -7.384 -3.959 4.639 651 HZ PHE 87 HZ PHE 87 -6.015 -1.927 4.392 652 H ARG 88 H ARG 88 -3.871 -9.582 2.860 653 HA ARG 88 HA ARG 88 -3.087 -10.568 0.197 654 HB2 ARG 88 1HB ARG 88 -1.301 -10.902 1.892 655 HB3 ARG 88 2HB ARG 88 -2.426 -11.856 2.851 656 HG2 ARG 88 1HG ARG 88 -2.604 -13.473 1.015 657 HG3 ARG 88 2HG ARG 88 -1.444 -12.523 0.084 658 HD2 ARG 88 1HD ARG 88 0.325 -13.138 1.401 659 HD3 ARG 88 2HD ARG 88 -0.684 -13.382 2.826 660 HE ARG 88 HE ARG 88 -0.950 -15.567 2.211 661 HH11 ARG 88 2HH1 ARG 88 0.194 -13.751 -0.532 662 HH12 ARG 88 1HH1 ARG 88 0.427 -15.150 -1.526 663 HH21 ARG 88 2HH2 ARG 88 -0.646 -17.417 0.910 664 HH22 ARG 88 1HH2 ARG 88 -0.052 -17.235 -0.705 665 H GLY 89 H GLY 89 -4.876 -11.357 -0.713 666 HA2 GLY 89 1HA GLY 89 -6.432 -13.123 -0.968 667 HA3 GLY 89 2HA GLY 89 -6.402 -13.368 0.771 668 H GLY 90 H GLY 90 -6.619 -10.132 0.414 669 HA2 GLY 90 1HA GLY 90 -8.608 -8.835 -0.232 670 HA3 GLY 90 2HA GLY 90 -9.572 -10.195 0.321 671 H LYS 91 H LYS 91 -7.396 -10.299 2.578 672 HA LYS 91 HA LYS 91 -8.674 -8.232 4.247 673 HB2 LYS 91 1HB LYS 91 -7.852 -11.053 4.900 674 HB3 LYS 91 2HB LYS 91 -8.093 -9.850 6.160 675 HG2 LYS 91 1HG LYS 91 -10.197 -10.553 4.131 676 HG3 LYS 91 2HG LYS 91 -10.048 -11.353 5.698 677 HD2 LYS 91 1HD LYS 91 -10.273 -8.366 5.452 678 HD3 LYS 91 2HD LYS 91 -11.697 -9.406 5.517 679 HE2 LYS 91 1HE LYS 91 -10.985 -10.282 7.667 680 HE3 LYS 91 2HE LYS 91 -9.509 -9.322 7.592 681 HZ1 LYS 91 1HZ LYS 91 -11.491 -8.446 8.944 682 HZ2 LYS 91 2HZ LYS 91 -12.146 -8.014 7.446 683 HZ3 LYS 91 3HZ LYS 91 -10.663 -7.367 7.938 684 H LYS 92 H LYS 92 -7.393 -7.198 5.825 685 HA LYS 92 HA LYS 92 -4.813 -6.496 5.034 686 HB2 LYS 92 1HB LYS 92 -4.680 -5.224 7.015 687 HB3 LYS 92 2HB LYS 92 -6.388 -5.243 6.599 688 HG2 LYS 92 1HG LYS 92 -5.448 -7.369 8.421 689 HG3 LYS 92 2HG LYS 92 -5.476 -5.725 9.059 690 HD2 LYS 92 1HD LYS 92 -7.865 -6.681 7.573 691 HD3 LYS 92 2HD LYS 92 -7.591 -7.323 9.194 692 HE2 LYS 92 1HE LYS 92 -8.823 -5.478 9.723 693 HE3 LYS 92 2HE LYS 92 -7.210 -4.767 9.751 694 HZ1 LYS 92 1HZ LYS 92 -7.568 -3.646 7.814 695 HZ2 LYS 92 2HZ LYS 92 -9.147 -3.653 8.422 696 HZ3 LYS 92 3HZ LYS 92 -8.697 -4.760 7.224 697 H VAL 93 H VAL 93 -2.761 -6.914 5.993 698 HA VAL 93 HA VAL 93 -2.597 -9.567 7.270 699 HB VAL 93 HB VAL 93 -0.477 -8.228 5.585 700 HG11 VAL 93 1HG1 VAL 93 -0.271 -11.083 5.843 701 HG12 VAL 93 2HG1 VAL 93 0.905 -9.833 6.257 702 HG13 VAL 93 3HG1 VAL 93 -0.313 -10.325 7.435 703 HG21 VAL 93 1HG2 VAL 93 -1.915 -10.656 4.667 704 HG22 VAL 93 2HG2 VAL 93 -2.751 -9.108 4.540 705 HG23 VAL 93 3HG2 VAL 93 -1.201 -9.343 3.732 706 H SER 94 H SER 94 -0.572 -6.644 6.940 707 HA SER 94 HA SER 94 -0.397 -6.363 9.809 708 HB2 SER 94 1HB SER 94 1.364 -8.104 9.031 709 HB3 SER 94 2HB SER 94 2.217 -6.714 8.360 710 HG SER 94 HG SER 94 1.923 -5.814 10.585 711 H GLU 95 H GLU 95 0.317 -4.335 10.456 712 HA GLU 95 HA GLU 95 0.355 -2.338 8.327 713 HB2 GLU 95 1HB GLU 95 -1.194 -1.938 10.146 714 HB3 GLU 95 2HB GLU 95 0.102 -2.073 11.327 715 HG2 GLU 95 1HG GLU 95 1.155 -0.091 10.055 716 HG3 GLU 95 2HG GLU 95 -0.464 0.132 9.394 717 H HIS 96 H HIS 96 2.170 -1.432 7.636 718 HA HIS 96 HA HIS 96 4.707 -2.133 8.620 719 HB2 HIS 96 1HB HIS 96 4.090 -1.279 6.289 720 HB3 HIS 96 2HB HIS 96 4.140 0.337 6.987 721 HD1 HIS 96 1HD HIS 96 6.653 0.173 8.689 722 HD2 HIS 96 2HD HIS 96 6.383 -1.390 4.848 723 HE1 HIS 96 1HE HIS 96 9.019 0.051 7.845 724 HE2 HIS 96 2HE HIS 96 8.824 -0.817 5.489 725 H SER 97 H SER 97 5.763 -1.444 10.350 726 HA SER 97 HA SER 97 4.961 1.116 11.560 727 HB2 SER 97 1HB SER 97 6.331 -1.268 12.831 728 HB3 SER 97 2HB SER 97 5.889 0.221 13.665 729 HG SER 97 HG SER 97 3.733 -0.251 13.317 730 H GLY 98 H GLY 98 7.850 -0.932 11.114 731 HA2 GLY 98 1HA GLY 98 9.828 0.797 11.862 732 HA3 GLY 98 2HA GLY 98 10.004 -0.347 10.539 733 H GLY 99 H GLY 99 11.437 1.909 10.370 734 HA2 GLY 99 1HA GLY 99 10.586 4.252 9.410 735 HA3 GLY 99 2HA GLY 99 11.922 3.400 8.649 736 H ARG 100 H ARG 100 9.723 5.162 7.589 737 HA ARG 100 HA ARG 100 8.342 3.309 5.797 738 HB2 ARG 100 1HB ARG 100 7.961 6.203 6.502 739 HB3 ARG 100 2HB ARG 100 7.232 5.533 5.048 740 HG2 ARG 100 1HG ARG 100 6.072 3.859 6.430 741 HG3 ARG 100 2HG ARG 100 6.761 4.606 7.874 742 HD2 ARG 100 1HD ARG 100 5.689 6.778 6.960 743 HD3 ARG 100 2HD ARG 100 4.716 5.688 5.974 744 HE ARG 100 HE ARG 100 3.523 5.129 7.842 745 HH11 ARG 100 2HH1 ARG 100 6.493 6.663 8.812 746 HH12 ARG 100 1HH1 ARG 100 6.059 6.741 10.488 747 HH21 ARG 100 2HH2 ARG 100 2.939 5.226 10.045 748 HH22 ARG 100 1HH2 ARG 100 4.037 5.923 11.188 749 H ASP 101 H ASP 101 11.047 3.414 5.337 750 HA ASP 101 HA ASP 101 11.457 5.234 3.088 751 HB2 ASP 101 1HB ASP 101 13.316 3.399 4.605 752 HB3 ASP 101 2HB ASP 101 13.802 4.262 3.147 753 H LEU 102 H LEU 102 12.109 4.492 1.022 754 HA LEU 102 HA LEU 102 10.635 2.635 -0.229 755 HB2 LEU 102 1HB LEU 102 12.018 3.993 -1.550 756 HB3 LEU 102 2HB LEU 102 13.480 3.445 -0.731 757 HG LEU 102 HG LEU 102 13.215 1.237 -1.810 758 HD11 LEU 102 1HD1 LEU 102 10.679 2.432 -2.623 759 HD12 LEU 102 2HD1 LEU 102 11.150 0.738 -2.501 760 HD13 LEU 102 3HD1 LEU 102 11.561 1.664 -3.944 761 HD21 LEU 102 1HD2 LEU 102 14.342 3.434 -2.820 762 HD22 LEU 102 2HD2 LEU 102 13.134 3.146 -4.072 763 HD23 LEU 102 3HD2 LEU 102 14.315 1.895 -3.680 764 H ASP 103 H ASP 103 13.880 1.925 1.069 765 HA ASP 103 HA ASP 103 13.873 -0.813 0.537 766 HB2 ASP 103 1HB ASP 103 15.320 0.894 2.538 767 HB3 ASP 103 2HB ASP 103 15.504 -0.857 2.569 768 H SER 104 H SER 104 13.232 0.767 3.672 769 HA SER 104 HA SER 104 12.486 -1.399 5.154 770 HB2 SER 104 1HB SER 104 11.346 1.400 5.180 771 HB3 SER 104 2HB SER 104 10.957 0.189 6.402 772 HG SER 104 HG SER 104 12.773 1.683 6.846 773 H LEU 105 H LEU 105 10.559 0.315 2.764 774 HA LEU 105 HA LEU 105 8.108 -1.003 3.328 775 HB2 LEU 105 1HB LEU 105 9.054 0.347 0.804 776 HB3 LEU 105 2HB LEU 105 7.394 -0.144 1.134 777 HG LEU 105 HG LEU 105 8.856 1.843 2.856 778 HD11 LEU 105 1HD1 LEU 105 7.908 2.179 0.156 779 HD12 LEU 105 2HD1 LEU 105 8.777 3.310 1.192 780 HD13 LEU 105 3HD1 LEU 105 7.017 3.213 1.273 781 HD21 LEU 105 1HD2 LEU 105 6.728 0.601 3.586 782 HD22 LEU 105 2HD2 LEU 105 5.903 1.604 2.394 783 HD23 LEU 105 3HD2 LEU 105 6.763 2.357 3.739 784 H HIS 106 H HIS 106 10.717 -1.595 1.014 785 HA HIS 106 HA HIS 106 9.459 -3.758 -0.314 786 HB2 HIS 106 1HB HIS 106 11.434 -2.388 -1.144 787 HB3 HIS 106 2HB HIS 106 12.438 -3.344 -0.057 788 HD1 HIS 106 1HD HIS 106 13.752 -4.650 -1.755 789 HD2 HIS 106 2HD HIS 106 9.651 -4.887 -2.374 790 HE1 HIS 106 1HE HIS 106 13.442 -6.395 -3.539 791 HE2 HIS 106 2HE HIS 106 10.959 -6.460 -3.957 792 H ARG 107 H ARG 107 12.173 -3.793 2.006 793 HA ARG 107 HA ARG 107 12.287 -6.532 2.399 794 HB2 ARG 107 1HB ARG 107 13.356 -6.000 4.580 795 HB3 ARG 107 2HB ARG 107 14.027 -5.088 3.235 796 HG2 ARG 107 1HG ARG 107 13.834 -3.423 4.769 797 HG3 ARG 107 2HG ARG 107 12.246 -3.303 4.008 798 HD2 ARG 107 1HD ARG 107 12.020 -3.236 6.418 799 HD3 ARG 107 2HD ARG 107 11.310 -4.721 5.785 800 HE ARG 107 HE ARG 107 13.807 -5.494 6.429 801 HH11 ARG 107 2HH1 ARG 107 11.352 -3.755 8.182 802 HH12 ARG 107 1HH1 ARG 107 11.858 -4.343 9.731 803 HH21 ARG 107 2HH2 ARG 107 14.481 -6.275 8.463 804 HH22 ARG 107 1HH2 ARG 107 13.639 -5.776 9.890 805 H PHE 108 H PHE 108 9.926 -4.282 3.472 806 HA PHE 108 HA PHE 108 8.948 -5.787 5.694 807 HB2 PHE 108 1HB PHE 108 8.483 -3.447 5.676 808 HB3 PHE 108 2HB PHE 108 7.774 -3.533 4.068 809 HD1 PHE 108 1HD PHE 108 7.257 -4.231 7.625 810 HD2 PHE 108 2HD PHE 108 5.517 -4.287 3.741 811 HE1 PHE 108 1HE PHE 108 5.032 -4.533 8.630 812 HE2 PHE 108 2HE PHE 108 3.289 -4.588 4.740 813 HZ PHE 108 HZ PHE 108 3.044 -4.710 7.187 814 H VAL 109 H VAL 109 7.739 -5.275 2.381 815 HA VAL 109 HA VAL 109 5.564 -7.045 2.567 816 HB VAL 109 HB VAL 109 7.126 -6.244 0.108 817 HG11 VAL 109 1HG1 VAL 109 4.815 -6.728 -0.949 818 HG12 VAL 109 2HG1 VAL 109 5.888 -8.081 -0.583 819 HG13 VAL 109 3HG1 VAL 109 4.543 -7.704 0.495 820 HG21 VAL 109 1HG2 VAL 109 4.488 -5.064 0.691 821 HG22 VAL 109 2HG2 VAL 109 5.807 -4.564 1.749 822 HG23 VAL 109 3HG2 VAL 109 5.937 -4.326 0.008 823 H LEU 110 H LEU 110 8.883 -7.531 1.416 824 HA LEU 110 HA LEU 110 8.647 -10.136 0.482 825 HB2 LEU 110 1HB LEU 110 10.952 -8.694 1.767 826 HB3 LEU 110 2HB LEU 110 11.098 -10.317 1.096 827 HG LEU 110 HG LEU 110 10.102 -8.073 -0.615 828 HD11 LEU 110 1HD1 LEU 110 12.020 -6.981 -0.129 829 HD12 LEU 110 2HD1 LEU 110 12.695 -8.131 -1.283 830 HD13 LEU 110 3HD1 LEU 110 12.833 -8.436 0.449 831 HD21 LEU 110 1HD2 LEU 110 11.597 -10.643 -1.120 832 HD22 LEU 110 2HD2 LEU 110 11.221 -9.444 -2.359 833 HD23 LEU 110 3HD2 LEU 110 9.916 -10.289 -1.523 834 H SER 111 H SER 111 9.532 -9.023 3.745 835 HA SER 111 HA SER 111 9.719 -11.635 4.843 836 HB2 SER 111 1HB SER 111 9.578 -8.867 5.995 837 HB3 SER 111 2HB SER 111 9.438 -10.269 7.056 838 HG SER 111 HG SER 111 11.525 -10.264 5.212 839 H GLN 112 H GLN 112 7.190 -9.140 4.970 840 HA GLN 112 HA GLN 112 5.360 -10.346 6.613 841 HB2 GLN 112 1HB GLN 112 5.080 -8.556 4.232 842 HB3 GLN 112 2HB GLN 112 3.635 -9.234 4.969 843 HG2 GLN 112 1HG GLN 112 5.650 -7.375 6.178 844 HG3 GLN 112 2HG GLN 112 3.918 -7.131 5.957 845 HE21 GLN 112 1HE2 GLN 112 5.958 -7.318 8.297 846 HE22 GLN 112 2HE2 GLN 112 5.109 -8.271 9.461 847 H ALA 113 H ALA 113 5.250 -10.592 3.053 848 HA ALA 113 HA ALA 113 3.360 -12.669 2.994 849 HB1 ALA 113 1HB ALA 113 4.513 -11.057 1.124 850 HB2 ALA 113 2HB ALA 113 5.234 -12.622 0.746 851 HB3 ALA 113 3HB ALA 113 3.479 -12.442 0.769 852 H LYS 114 H LYS 114 6.904 -12.731 2.835 853 HA LYS 114 HA LYS 114 6.996 -15.605 2.665 854 HB2 LYS 114 1HB LYS 114 8.711 -14.119 1.630 855 HB3 LYS 114 2HB LYS 114 9.239 -13.662 3.245 856 HG2 LYS 114 1HG LYS 114 10.165 -15.733 3.674 857 HG3 LYS 114 2HG LYS 114 9.175 -16.542 2.457 858 HD2 LYS 114 1HD LYS 114 11.088 -14.453 1.549 859 HD3 LYS 114 2HD LYS 114 11.737 -16.017 2.046 860 HE2 LYS 114 1HE LYS 114 10.754 -17.129 0.306 861 HE3 LYS 114 2HE LYS 114 9.410 -15.994 0.198 862 HZ1 LYS 114 1HZ LYS 114 10.576 -14.595 -1.136 863 HZ2 LYS 114 2HZ LYS 114 11.323 -16.044 -1.586 864 HZ3 LYS 114 3HZ LYS 114 12.079 -15.010 -0.481 865 H ASP 115 H ASP 115 6.109 -16.532 4.458 866 HA ASP 115 HA ASP 115 6.065 -15.811 7.048 867 HB2 ASP 115 1HB ASP 115 5.225 -17.983 5.966 868 HB3 ASP 115 2HB ASP 115 6.822 -18.635 6.321 869 H GLU 116 H GLU 116 7.467 -15.359 8.616 870 HA GLU 116 HA GLU 116 10.144 -15.012 8.321 871 HB2 GLU 116 1HB GLU 116 8.441 -15.571 10.708 872 HB3 GLU 116 2HB GLU 116 10.186 -15.556 10.910 873 HG2 GLU 116 1HG GLU 116 9.642 -13.385 11.402 874 HG3 GLU 116 2HG GLU 116 10.046 -13.269 9.690 875 H LEU 117 H LEU 117 12.020 -16.179 8.680 876 HA LEU 117 HA LEU 117 11.739 -19.058 8.380 877 HB2 LEU 117 1HB LEU 117 14.226 -17.356 8.347 878 HB3 LEU 117 2HB LEU 117 14.110 -19.049 7.871 879 HG LEU 117 HG LEU 117 12.466 -17.022 6.423 880 HD11 LEU 117 1HD1 LEU 117 14.178 -15.958 5.496 881 HD12 LEU 117 2HD1 LEU 117 14.986 -17.477 5.111 882 HD13 LEU 117 3HD1 LEU 117 15.230 -16.725 6.687 883 HD21 LEU 117 1HD2 LEU 117 12.614 -19.674 6.193 884 HD22 LEU 117 2HD2 LEU 117 13.940 -19.234 5.118 885 HD23 LEU 117 3HD2 LEU 117 12.317 -18.614 4.815 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -11.747 -5.833 -18.628 2 HA2 GLY 1 1HA GLY 1 -11.394 -4.466 -16.049 3 HA3 GLY 1 2HA GLY 1 -11.621 -6.209 -16.067 4 H SER 2 H SER 2 -9.333 -4.489 -15.214 5 HA SER 2 HA SER 2 -7.060 -4.569 -15.237 6 HB2 SER 2 1HB SER 2 -7.840 -7.188 -16.425 7 HB3 SER 2 2HB SER 2 -6.151 -6.699 -16.559 8 HG SER 2 HG SER 2 -7.530 -6.608 -14.097 9 H SER 3 H SER 3 -8.147 -2.866 -17.062 10 HA SER 3 HA SER 3 -6.532 -3.256 -19.493 11 HB2 SER 3 1HB SER 3 -9.139 -2.865 -19.518 12 HB3 SER 3 2HB SER 3 -8.679 -1.175 -19.312 13 HG SER 3 HG SER 3 -8.051 -1.125 -21.315 14 H GLY 4 H GLY 4 -4.583 -2.382 -18.975 15 HA2 GLY 4 1HA GLY 4 -3.202 -0.464 -19.090 16 HA3 GLY 4 2HA GLY 4 -4.552 0.512 -18.530 17 H SER 5 H SER 5 -2.353 -2.062 -17.442 18 HA SER 5 HA SER 5 -2.809 -1.542 -14.674 19 HB2 SER 5 1HB SER 5 -1.051 -3.144 -14.260 20 HB3 SER 5 2HB SER 5 -2.035 -3.741 -15.596 21 HG SER 5 HG SER 5 -0.295 -3.748 -16.751 22 H SER 6 H SER 6 -2.107 0.168 -13.598 23 HA SER 6 HA SER 6 -0.469 2.165 -14.505 24 HB2 SER 6 1HB SER 6 -1.030 1.217 -11.697 25 HB3 SER 6 2HB SER 6 -0.038 2.639 -12.019 26 HG SER 6 HG SER 6 -2.111 3.359 -11.780 27 H GLY 7 H GLY 7 1.711 2.817 -13.809 28 HA2 GLY 7 1HA GLY 7 3.485 0.479 -13.454 29 HA3 GLY 7 2HA GLY 7 3.857 1.773 -14.584 30 H THR 8 H THR 8 2.571 3.552 -12.342 31 HA THR 8 HA THR 8 5.076 3.815 -10.812 32 HB THR 8 HB THR 8 4.354 6.199 -10.446 33 HG1 THR 8 1HG THR 8 2.679 6.004 -12.675 34 HG21 THR 8 1HG2 THR 8 4.659 5.515 -13.366 35 HG22 THR 8 2HG2 THR 8 5.991 5.431 -12.212 36 HG23 THR 8 3HG2 THR 8 5.195 6.973 -12.533 37 H VAL 9 H VAL 9 1.559 4.316 -10.546 38 HA VAL 9 HA VAL 9 1.537 3.125 -7.922 39 HB VAL 9 HB VAL 9 0.855 6.051 -8.234 40 HG11 VAL 9 1HG1 VAL 9 -0.778 4.850 -6.834 41 HG12 VAL 9 2HG1 VAL 9 0.542 4.285 -5.809 42 HG13 VAL 9 3HG1 VAL 9 0.178 6.008 -5.911 43 HG21 VAL 9 1HG2 VAL 9 2.964 4.619 -6.624 44 HG22 VAL 9 2HG2 VAL 9 3.223 5.717 -7.980 45 HG23 VAL 9 3HG2 VAL 9 2.574 6.330 -6.459 46 H LEU 10 H LEU 10 -0.139 1.796 -8.122 47 HA LEU 10 HA LEU 10 -2.239 2.081 -9.951 48 HB2 LEU 10 1HB LEU 10 -1.857 0.417 -7.489 49 HB3 LEU 10 2HB LEU 10 -3.382 0.384 -8.372 50 HG LEU 10 HG LEU 10 -0.877 -0.116 -9.897 51 HD11 LEU 10 1HD1 LEU 10 -2.182 -2.332 -8.354 52 HD12 LEU 10 2HD1 LEU 10 -0.813 -1.432 -7.704 53 HD13 LEU 10 3HD1 LEU 10 -0.640 -2.335 -9.209 54 HD21 LEU 10 1HD2 LEU 10 -3.002 -0.027 -11.058 55 HD22 LEU 10 2HD2 LEU 10 -3.674 -1.247 -9.975 56 HD23 LEU 10 3HD2 LEU 10 -2.369 -1.673 -11.084 57 H ALA 11 H ALA 11 -4.374 2.726 -9.738 58 HA ALA 11 HA ALA 11 -4.954 4.375 -7.364 59 HB1 ALA 11 1HB ALA 11 -4.880 5.923 -9.068 60 HB2 ALA 11 2HB ALA 11 -5.529 4.799 -10.262 61 HB3 ALA 11 3HB ALA 11 -6.594 5.507 -9.048 62 H LEU 12 H LEU 12 -6.197 3.134 -6.084 63 HA LEU 12 HA LEU 12 -8.286 1.468 -7.252 64 HB2 LEU 12 1HB LEU 12 -7.438 1.775 -4.376 65 HB3 LEU 12 2HB LEU 12 -8.559 0.570 -5.007 66 HG LEU 12 HG LEU 12 -5.626 0.742 -5.697 67 HD11 LEU 12 1HD1 LEU 12 -6.228 -1.640 -4.347 68 HD12 LEU 12 2HD1 LEU 12 -6.971 -0.345 -3.410 69 HD13 LEU 12 3HD1 LEU 12 -5.246 -0.292 -3.774 70 HD21 LEU 12 1HD2 LEU 12 -5.966 -0.843 -7.229 71 HD22 LEU 12 2HD2 LEU 12 -7.678 -0.429 -7.118 72 HD23 LEU 12 3HD2 LEU 12 -7.029 -1.761 -6.162 73 H THR 13 H THR 13 -10.474 1.663 -6.749 74 HA THR 13 HA THR 13 -11.281 4.148 -5.392 75 HB THR 13 HB THR 13 -13.088 4.451 -7.046 76 HG1 THR 13 1HG THR 13 -13.458 2.590 -8.062 77 HG21 THR 13 1HG2 THR 13 -11.644 5.859 -7.991 78 HG22 THR 13 2HG2 THR 13 -11.075 4.545 -9.021 79 HG23 THR 13 3HG2 THR 13 -10.287 4.859 -7.475 80 H GLU 14 H GLU 14 -13.620 4.127 -4.776 81 HA GLU 14 HA GLU 14 -14.217 1.944 -3.161 82 HB2 GLU 14 1HB GLU 14 -15.778 4.277 -4.178 83 HB3 GLU 14 2HB GLU 14 -16.648 2.973 -3.382 84 HG2 GLU 14 1HG GLU 14 -16.240 4.282 -1.582 85 HG3 GLU 14 2HG GLU 14 -14.766 3.314 -1.558 86 H ASN 15 H ASN 15 -14.482 2.215 -6.512 87 HA ASN 15 HA ASN 15 -16.587 0.193 -6.712 88 HB2 ASN 15 1HB ASN 15 -16.871 2.025 -8.230 89 HB3 ASN 15 2HB ASN 15 -15.204 1.901 -8.785 90 HD21 ASN 15 1HD2 ASN 15 -14.602 0.019 -10.004 91 HD22 ASN 15 2HD2 ASN 15 -15.787 -0.798 -10.962 92 H ASN 16 H ASN 16 -13.157 0.649 -7.203 93 HA ASN 16 HA ASN 16 -12.911 -2.232 -7.746 94 HB2 ASN 16 1HB ASN 16 -10.886 -1.606 -9.171 95 HB3 ASN 16 2HB ASN 16 -12.471 -1.261 -9.859 96 HD21 ASN 16 1HD2 ASN 16 -10.019 0.284 -7.811 97 HD22 ASN 16 2HD2 ASN 16 -10.144 1.843 -8.547 98 H PHE 17 H PHE 17 -12.756 -1.093 -5.212 99 HA PHE 17 HA PHE 17 -9.909 -0.868 -4.599 100 HB2 PHE 17 1HB PHE 17 -11.243 0.798 -3.527 101 HB3 PHE 17 2HB PHE 17 -12.400 -0.403 -2.960 102 HD1 PHE 17 1HD PHE 17 -11.724 -2.003 -1.171 103 HD2 PHE 17 2HD PHE 17 -9.312 1.322 -2.289 104 HE1 PHE 17 1HE PHE 17 -10.485 -2.193 0.947 105 HE2 PHE 17 2HE PHE 17 -8.070 1.137 -0.173 106 HZ PHE 17 HZ PHE 17 -8.656 -0.623 1.448 107 H ASP 18 H ASP 18 -12.734 -2.747 -3.521 108 HA ASP 18 HA ASP 18 -11.204 -4.569 -1.964 109 HB2 ASP 18 1HB ASP 18 -13.352 -5.953 -2.078 110 HB3 ASP 18 2HB ASP 18 -13.475 -4.353 -1.353 111 H ASP 19 H ASP 19 -12.577 -4.693 -5.226 112 HA ASP 19 HA ASP 19 -12.081 -7.309 -5.907 113 HB2 ASP 19 1HB ASP 19 -11.609 -4.961 -7.752 114 HB3 ASP 19 2HB ASP 19 -12.055 -6.602 -8.209 115 H THR 20 H THR 20 -9.864 -4.604 -6.624 116 HA THR 20 HA THR 20 -7.708 -5.961 -7.569 117 HB THR 20 HB THR 20 -7.662 -3.595 -5.690 118 HG1 THR 20 1HG THR 20 -8.729 -3.206 -7.668 119 HG21 THR 20 1HG2 THR 20 -5.492 -4.999 -7.186 120 HG22 THR 20 2HG2 THR 20 -5.465 -4.288 -5.573 121 HG23 THR 20 3HG2 THR 20 -5.413 -3.248 -6.996 122 H ILE 21 H ILE 21 -8.065 -5.090 -4.124 123 HA ILE 21 HA ILE 21 -5.929 -6.664 -3.217 124 HB ILE 21 HB ILE 21 -6.768 -6.341 -0.997 125 HG12 ILE 21 1HG1 ILE 21 -9.352 -5.294 -2.155 126 HG13 ILE 21 2HG1 ILE 21 -9.152 -6.966 -1.640 127 HG21 ILE 21 1HG2 ILE 21 -5.794 -4.370 -1.829 128 HG22 ILE 21 2HG2 ILE 21 -7.197 -3.999 -2.827 129 HG23 ILE 21 3HG2 ILE 21 -7.301 -3.856 -1.072 130 HD11 ILE 21 1HD1 ILE 21 -9.950 -6.193 0.301 131 HD12 ILE 21 2HD1 ILE 21 -8.290 -5.657 0.557 132 HD13 ILE 21 3HD1 ILE 21 -9.497 -4.526 -0.055 133 H ALA 22 H ALA 22 -9.232 -7.459 -3.958 134 HA ALA 22 HA ALA 22 -9.644 -9.771 -2.513 135 HB1 ALA 22 1HB ALA 22 -10.489 -9.564 -5.382 136 HB2 ALA 22 2HB ALA 22 -11.338 -10.304 -4.025 137 HB3 ALA 22 3HB ALA 22 -11.212 -8.548 -4.136 138 H GLU 23 H GLU 23 -7.894 -9.369 -5.565 139 HA GLU 23 HA GLU 23 -6.930 -12.140 -5.290 140 HB2 GLU 23 1HB GLU 23 -6.444 -11.920 -7.789 141 HB3 GLU 23 2HB GLU 23 -8.130 -12.065 -7.311 142 HG2 GLU 23 1HG GLU 23 -8.627 -9.908 -7.878 143 HG3 GLU 23 2HG GLU 23 -6.975 -9.346 -7.628 144 H GLY 24 H GLY 24 -4.785 -12.497 -5.166 145 HA2 GLY 24 1HA GLY 24 -2.527 -12.083 -5.066 146 HA3 GLY 24 2HA GLY 24 -2.798 -10.767 -6.199 147 H ILE 25 H ILE 25 -0.892 -10.411 -4.342 148 HA ILE 25 HA ILE 25 -1.954 -9.099 -2.001 149 HB ILE 25 HB ILE 25 0.882 -9.196 -3.038 150 HG12 ILE 25 1HG1 ILE 25 -0.250 -10.759 -0.725 151 HG13 ILE 25 2HG1 ILE 25 -0.300 -11.386 -2.369 152 HG21 ILE 25 1HG2 ILE 25 0.622 -8.811 -0.205 153 HG22 ILE 25 2HG2 ILE 25 1.457 -7.816 -1.397 154 HG23 ILE 25 3HG2 ILE 25 -0.256 -7.554 -1.076 155 HD11 ILE 25 1HD1 ILE 25 2.336 -10.437 -1.605 156 HD12 ILE 25 2HD1 ILE 25 1.735 -11.732 -0.570 157 HD13 ILE 25 3HD1 ILE 25 1.841 -11.974 -2.313 158 H THR 26 H THR 26 -2.317 -6.982 -1.723 159 HA THR 26 HA THR 26 -1.292 -5.096 -3.730 160 HB THR 26 HB THR 26 -4.125 -5.065 -2.672 161 HG1 THR 26 1HG THR 26 -3.755 -6.738 -4.219 162 HG21 THR 26 1HG2 THR 26 -4.238 -2.971 -3.423 163 HG22 THR 26 2HG2 THR 26 -3.710 -3.496 -5.021 164 HG23 THR 26 3HG2 THR 26 -2.519 -3.030 -3.809 165 H PHE 27 H PHE 27 -0.104 -3.623 -2.725 166 HA PHE 27 HA PHE 27 -0.566 -3.059 0.097 167 HB2 PHE 27 1HB PHE 27 1.741 -3.476 -1.133 168 HB3 PHE 27 2HB PHE 27 1.619 -1.751 -1.464 169 HD1 PHE 27 1HD PHE 27 0.046 -1.335 1.263 170 HD2 PHE 27 2HD PHE 27 3.769 -3.089 0.174 171 HE1 PHE 27 1HE PHE 27 0.930 -0.842 3.505 172 HE2 PHE 27 2HE PHE 27 4.658 -2.600 2.416 173 HZ PHE 27 HZ PHE 27 3.238 -1.476 4.084 174 H ILE 28 H ILE 28 -1.959 -1.505 0.587 175 HA ILE 28 HA ILE 28 -2.292 0.758 -1.249 176 HB ILE 28 HB ILE 28 -4.022 -0.055 1.089 177 HG12 ILE 28 1HG1 ILE 28 -4.722 -0.309 -1.829 178 HG13 ILE 28 2HG1 ILE 28 -3.897 -1.604 -0.968 179 HG21 ILE 28 1HG2 ILE 28 -5.295 1.589 -0.893 180 HG22 ILE 28 2HG2 ILE 28 -5.112 1.864 0.838 181 HG23 ILE 28 3HG2 ILE 28 -3.846 2.382 -0.276 182 HD11 ILE 28 1HD1 ILE 28 -5.792 -2.303 -0.061 183 HD12 ILE 28 2HD1 ILE 28 -6.207 -0.679 0.490 184 HD13 ILE 28 3HD1 ILE 28 -6.628 -1.192 -1.144 185 H LYS 29 H LYS 29 -2.016 2.865 -0.612 186 HA LYS 29 HA LYS 29 -0.891 3.288 2.079 187 HB2 LYS 29 1HB LYS 29 0.823 3.386 0.266 188 HB3 LYS 29 2HB LYS 29 -0.063 4.728 -0.447 189 HG2 LYS 29 1HG LYS 29 0.707 4.987 2.398 190 HG3 LYS 29 2HG LYS 29 1.998 5.072 1.196 191 HD2 LYS 29 1HD LYS 29 -0.516 6.723 1.041 192 HD3 LYS 29 2HD LYS 29 0.958 7.278 1.838 193 HE2 LYS 29 1HE LYS 29 1.136 6.243 -0.949 194 HE3 LYS 29 2HE LYS 29 0.463 7.852 -0.686 195 HZ1 LYS 29 1HZ LYS 29 3.176 6.874 -0.036 196 HZ2 LYS 29 2HZ LYS 29 2.547 8.276 0.670 197 HZ3 LYS 29 3HZ LYS 29 2.737 8.185 -1.009 198 H PHE 30 H PHE 30 -2.504 4.263 3.154 199 HA PHE 30 HA PHE 30 -4.234 6.182 1.860 200 HB2 PHE 30 1HB PHE 30 -4.123 5.477 4.795 201 HB3 PHE 30 2HB PHE 30 -5.459 6.227 3.927 202 HD1 PHE 30 1HD PHE 30 -3.646 3.104 4.545 203 HD2 PHE 30 2HD PHE 30 -6.960 4.920 2.586 204 HE1 PHE 30 1HE PHE 30 -4.611 0.881 4.123 205 HE2 PHE 30 2HE PHE 30 -7.930 2.700 2.162 206 HZ PHE 30 HZ PHE 30 -6.756 0.676 2.930 207 H TYR 31 H TYR 31 -3.331 8.103 1.425 208 HA TYR 31 HA TYR 31 -1.902 9.468 3.611 209 HB2 TYR 31 1HB TYR 31 -0.456 10.502 2.057 210 HB3 TYR 31 2HB TYR 31 -0.547 8.822 1.539 211 HD1 TYR 31 2HD TYR 31 -1.484 12.273 0.739 212 HD2 TYR 31 1HD TYR 31 -1.657 8.215 -0.529 213 HE1 TYR 31 2HE TYR 31 -2.169 13.009 -1.505 214 HE2 TYR 31 1HE TYR 31 -2.342 8.941 -2.777 215 HH TYR 31 HH TYR 31 -3.486 11.946 -3.470 216 H ALA 32 H ALA 32 -1.806 11.990 2.817 217 HA ALA 32 HA ALA 32 -4.563 12.780 2.155 218 HB1 ALA 32 1HB ALA 32 -3.824 12.858 4.677 219 HB2 ALA 32 2HB ALA 32 -3.059 14.367 4.176 220 HB3 ALA 32 3HB ALA 32 -4.797 14.150 3.975 221 HA PRO 33 HA PRO 33 -2.448 15.344 -0.775 222 HB2 PRO 33 1HB PRO 33 -4.607 16.784 -1.571 223 HB3 PRO 33 2HB PRO 33 -4.324 15.115 -2.082 224 HG2 PRO 33 1HG PRO 33 -6.116 16.157 0.079 225 HG3 PRO 33 2HG PRO 33 -6.432 14.893 -1.126 226 HD2 PRO 33 1HD PRO 33 -5.749 14.328 1.433 227 HD3 PRO 33 2HD PRO 33 -5.285 13.291 0.069 228 H TRP 34 H TRP 34 -3.586 16.257 2.199 229 HA TRP 34 HA TRP 34 -2.802 19.067 1.781 230 HB2 TRP 34 1HB TRP 34 -4.197 19.617 3.741 231 HB3 TRP 34 2HB TRP 34 -5.141 18.877 2.451 232 HD1 TRP 34 HD TRP 34 -6.552 16.813 3.087 233 HE1 TRP 34 1HE TRP 34 -6.783 15.342 5.187 234 HE3 TRP 34 3HE TRP 34 -2.648 18.673 5.814 235 HZ2 TRP 34 2HZ TRP 34 -5.482 15.015 7.671 236 HZ3 TRP 34 3HZ TRP 34 -2.209 17.726 8.043 237 HH2 TRP 34 HH TRP 34 -3.598 15.935 8.950 238 H CYS 35 H CYS 35 -2.070 16.135 3.340 239 HA CYS 35 HA CYS 35 -0.587 17.323 5.520 240 HB2 CYS 35 1HB CYS 35 -1.810 15.075 5.594 241 HB3 CYS 35 2HB CYS 35 -0.470 14.441 4.647 242 HG CYS 35 HG CYS 35 -0.636 14.344 7.760 243 H GLY 36 H GLY 36 1.514 17.835 5.524 244 HA2 GLY 36 1HA GLY 36 3.005 17.809 3.105 245 HA3 GLY 36 2HA GLY 36 3.612 18.269 4.689 246 H HIS 37 H HIS 37 3.327 15.954 6.123 247 HA HIS 37 HA HIS 37 5.586 14.557 5.809 248 HB2 HIS 37 1HB HIS 37 2.879 13.525 6.648 249 HB3 HIS 37 2HB HIS 37 4.330 12.530 6.737 250 HD1 HIS 37 1HD HIS 37 2.350 14.284 8.933 251 HD2 HIS 37 2HD HIS 37 6.434 14.397 8.180 252 HE1 HIS 37 1HE HIS 37 3.389 15.256 11.006 253 HE2 HIS 37 2HE HIS 37 5.851 15.394 10.495 254 H CYS 38 H CYS 38 2.554 13.770 4.130 255 HA CYS 38 HA CYS 38 3.329 11.500 2.778 256 HB2 CYS 38 1HB CYS 38 1.048 12.246 2.676 257 HB3 CYS 38 2HB CYS 38 1.517 13.745 1.885 258 HG CYS 38 HG CYS 38 1.595 10.612 0.517 259 H LYS 39 H LYS 39 3.729 14.875 1.737 260 HA LYS 39 HA LYS 39 4.777 14.633 -0.742 261 HB2 LYS 39 1HB LYS 39 5.838 16.413 1.460 262 HB3 LYS 39 2HB LYS 39 6.178 16.622 -0.252 263 HG2 LYS 39 1HG LYS 39 3.938 17.180 -0.731 264 HG3 LYS 39 2HG LYS 39 3.385 16.632 0.853 265 HD2 LYS 39 1HD LYS 39 4.598 18.447 1.925 266 HD3 LYS 39 2HD LYS 39 5.227 18.973 0.362 267 HE2 LYS 39 1HE LYS 39 2.889 19.356 -0.384 268 HE3 LYS 39 2HE LYS 39 2.342 18.958 1.243 269 HZ1 LYS 39 1HZ LYS 39 3.463 21.395 0.248 270 HZ2 LYS 39 2HZ LYS 39 4.259 20.851 1.637 271 HZ3 LYS 39 3HZ LYS 39 2.588 21.113 1.668 272 H THR 40 H THR 40 6.304 13.673 2.239 273 HA THR 40 HA THR 40 8.918 13.320 1.105 274 HB THR 40 HB THR 40 7.825 12.174 3.681 275 HG1 THR 40 1HG THR 40 8.633 14.039 4.638 276 HG21 THR 40 1HG2 THR 40 10.654 12.663 2.737 277 HG22 THR 40 2HG2 THR 40 9.879 11.091 2.941 278 HG23 THR 40 3HG2 THR 40 10.196 12.108 4.346 279 H LEU 41 H LEU 41 6.141 11.259 1.782 280 HA LEU 41 HA LEU 41 7.567 8.903 0.823 281 HB2 LEU 41 1HB LEU 41 6.066 8.872 2.845 282 HB3 LEU 41 2HB LEU 41 4.708 9.091 1.743 283 HG LEU 41 HG LEU 41 5.425 6.941 0.626 284 HD11 LEU 41 1HD1 LEU 41 6.906 6.325 3.144 285 HD12 LEU 41 2HD1 LEU 41 7.737 7.129 1.813 286 HD13 LEU 41 3HD1 LEU 41 6.999 5.547 1.564 287 HD21 LEU 41 1HD2 LEU 41 4.528 5.532 2.540 288 HD22 LEU 41 2HD2 LEU 41 3.509 6.863 1.990 289 HD23 LEU 41 3HD2 LEU 41 4.455 7.030 3.470 290 H ALA 42 H ALA 42 6.168 11.395 -0.646 291 HA ALA 42 HA ALA 42 4.300 10.294 -2.431 292 HB1 ALA 42 1HB ALA 42 5.740 12.383 -3.721 293 HB2 ALA 42 2HB ALA 42 4.126 12.426 -3.012 294 HB3 ALA 42 3HB ALA 42 5.534 12.803 -2.020 295 HA PRO 43 HA PRO 43 7.925 9.759 -5.573 296 HB2 PRO 43 1HB PRO 43 10.452 10.112 -4.647 297 HB3 PRO 43 2HB PRO 43 9.480 11.430 -5.312 298 HG2 PRO 43 1HG PRO 43 9.978 10.700 -2.452 299 HG3 PRO 43 2HG PRO 43 9.962 12.302 -3.212 300 HD2 PRO 43 1HD PRO 43 7.865 11.342 -1.792 301 HD3 PRO 43 2HD PRO 43 7.661 12.435 -3.177 302 H THR 44 H THR 44 8.453 8.796 -2.238 303 HA THR 44 HA THR 44 10.017 6.495 -2.769 304 HB THR 44 HB THR 44 8.238 7.057 -0.388 305 HG1 THR 44 1HG THR 44 10.205 8.462 -1.069 306 HG21 THR 44 1HG2 THR 44 10.024 5.518 0.694 307 HG22 THR 44 2HG2 THR 44 10.317 4.973 -0.958 308 HG23 THR 44 3HG2 THR 44 8.719 4.784 -0.238 309 H TRP 45 H TRP 45 6.564 6.825 -1.934 310 HA TRP 45 HA TRP 45 5.773 4.213 -2.091 311 HB2 TRP 45 1HB TRP 45 4.341 6.205 -1.502 312 HB3 TRP 45 2HB TRP 45 4.161 6.502 -3.228 313 HD1 TRP 45 HD TRP 45 1.942 5.608 -4.101 314 HE1 TRP 45 1HE TRP 45 0.404 3.615 -3.564 315 HE3 TRP 45 3HE TRP 45 4.666 3.469 -0.340 316 HZ2 TRP 45 2HZ TRP 45 0.351 1.427 -1.781 317 HZ3 TRP 45 3HZ TRP 45 3.801 1.429 0.730 318 HH2 TRP 45 HH TRP 45 1.687 0.431 0.022 319 H GLU 46 H GLU 46 6.349 6.443 -4.759 320 HA GLU 46 HA GLU 46 5.311 4.865 -6.833 321 HB2 GLU 46 1HB GLU 46 7.440 6.994 -6.764 322 HB3 GLU 46 2HB GLU 46 6.988 6.187 -8.258 323 HG2 GLU 46 1HG GLU 46 4.757 7.010 -8.118 324 HG3 GLU 46 2HG GLU 46 5.031 7.632 -6.492 325 H GLU 47 H GLU 47 8.733 5.289 -5.906 326 HA GLU 47 HA GLU 47 9.956 3.498 -7.518 327 HB2 GLU 47 1HB GLU 47 10.450 4.167 -4.633 328 HB3 GLU 47 2HB GLU 47 11.457 2.989 -5.461 329 HG2 GLU 47 1HG GLU 47 11.031 5.665 -6.696 330 HG3 GLU 47 2HG GLU 47 12.157 5.497 -5.350 331 H LEU 48 H LEU 48 8.326 2.694 -4.465 332 HA LEU 48 HA LEU 48 8.852 0.020 -4.264 333 HB2 LEU 48 1HB LEU 48 7.452 1.513 -2.747 334 HB3 LEU 48 2HB LEU 48 6.098 1.132 -3.809 335 HG LEU 48 HG LEU 48 6.432 -1.277 -3.260 336 HD11 LEU 48 1HD1 LEU 48 7.955 -0.690 -0.837 337 HD12 LEU 48 2HD1 LEU 48 8.874 -0.485 -2.328 338 HD13 LEU 48 3HD1 LEU 48 8.099 -2.028 -1.977 339 HD21 LEU 48 1HD2 LEU 48 5.981 -0.471 -0.599 340 HD22 LEU 48 2HD2 LEU 48 4.784 -0.850 -1.838 341 HD23 LEU 48 3HD2 LEU 48 5.348 0.810 -1.634 342 H SER 49 H SER 49 6.331 1.546 -6.239 343 HA SER 49 HA SER 49 5.091 -0.749 -7.199 344 HB2 SER 49 1HB SER 49 4.143 0.613 -8.892 345 HB3 SER 49 2HB SER 49 4.394 1.693 -7.520 346 HG SER 49 HG SER 49 5.471 2.855 -8.894 347 H LYS 50 H LYS 50 7.869 1.020 -8.521 348 HA LYS 50 HA LYS 50 8.240 -0.606 -10.792 349 HB2 LYS 50 1HB LYS 50 10.233 1.065 -9.250 350 HB3 LYS 50 2HB LYS 50 10.534 0.356 -10.831 351 HG2 LYS 50 1HG LYS 50 8.933 1.744 -11.867 352 HG3 LYS 50 2HG LYS 50 8.265 2.255 -10.316 353 HD2 LYS 50 1HD LYS 50 10.467 3.317 -9.804 354 HD3 LYS 50 2HD LYS 50 10.977 2.934 -11.450 355 HE2 LYS 50 1HE LYS 50 8.920 4.206 -12.223 356 HE3 LYS 50 2HE LYS 50 8.777 4.783 -10.562 357 HZ1 LYS 50 1HZ LYS 50 11.076 5.645 -10.779 358 HZ2 LYS 50 2HZ LYS 50 9.971 6.396 -11.816 359 HZ3 LYS 50 3HZ LYS 50 11.045 5.236 -12.420 360 H LYS 51 H LYS 51 9.550 -0.779 -7.513 361 HA LYS 51 HA LYS 51 11.480 -2.703 -7.773 362 HB2 LYS 51 1HB LYS 51 9.452 -2.380 -5.557 363 HB3 LYS 51 2HB LYS 51 10.878 -3.403 -5.444 364 HG2 LYS 51 1HG LYS 51 11.037 -0.462 -6.032 365 HG3 LYS 51 2HG LYS 51 11.044 -1.114 -4.393 366 HD2 LYS 51 1HD LYS 51 12.959 -2.195 -6.413 367 HD3 LYS 51 2HD LYS 51 13.296 -0.645 -5.640 368 HE2 LYS 51 1HE LYS 51 12.922 -1.833 -3.430 369 HE3 LYS 51 2HE LYS 51 12.967 -3.340 -4.345 370 HZ1 LYS 51 1HZ LYS 51 15.187 -2.757 -5.113 371 HZ2 LYS 51 2HZ LYS 51 15.130 -2.817 -3.423 372 HZ3 LYS 51 3HZ LYS 51 15.144 -1.323 -4.216 373 H GLU 52 H GLU 52 11.349 -5.034 -7.059 374 HA GLU 52 HA GLU 52 8.889 -6.331 -8.007 375 HB2 GLU 52 1HB GLU 52 11.631 -7.372 -8.703 376 HB3 GLU 52 2HB GLU 52 10.080 -7.879 -9.357 377 HG2 GLU 52 1HG GLU 52 11.023 -5.074 -9.746 378 HG3 GLU 52 2HG GLU 52 11.643 -6.371 -10.765 379 H PHE 53 H PHE 53 8.349 -8.244 -7.002 380 HA PHE 53 HA PHE 53 9.993 -8.945 -4.661 381 HB2 PHE 53 1HB PHE 53 7.040 -9.486 -4.974 382 HB3 PHE 53 2HB PHE 53 8.004 -9.575 -3.502 383 HD1 PHE 53 1HD PHE 53 6.779 -7.194 -6.075 384 HD2 PHE 53 2HD PHE 53 8.156 -7.743 -2.085 385 HE1 PHE 53 1HE PHE 53 6.189 -4.862 -5.554 386 HE2 PHE 53 2HE PHE 53 7.567 -5.412 -1.557 387 HZ PHE 53 HZ PHE 53 6.582 -3.970 -3.292 388 HA PRO 54 HA PRO 54 10.424 -12.659 -7.242 389 HB2 PRO 54 1HB PRO 54 12.699 -13.494 -6.019 390 HB3 PRO 54 2HB PRO 54 12.687 -12.271 -7.295 391 HG2 PRO 54 1HG PRO 54 12.827 -11.909 -4.327 392 HG3 PRO 54 2HG PRO 54 13.741 -11.077 -5.600 393 HD2 PRO 54 1HD PRO 54 11.592 -9.965 -4.383 394 HD3 PRO 54 2HD PRO 54 12.004 -9.639 -6.079 395 H GLY 55 H GLY 55 9.580 -14.617 -6.826 396 HA2 GLY 55 1HA GLY 55 9.174 -16.570 -5.588 397 HA3 GLY 55 2HA GLY 55 9.740 -15.745 -4.144 398 H LEU 56 H LEU 56 7.997 -13.414 -4.668 399 HA LEU 56 HA LEU 56 5.525 -14.598 -3.628 400 HB2 LEU 56 1HB LEU 56 6.340 -11.700 -3.610 401 HB3 LEU 56 2HB LEU 56 5.032 -12.451 -2.697 402 HG LEU 56 HG LEU 56 7.903 -13.207 -2.243 403 HD11 LEU 56 1HD1 LEU 56 7.067 -10.644 -1.938 404 HD12 LEU 56 2HD1 LEU 56 8.334 -11.407 -0.978 405 HD13 LEU 56 3HD1 LEU 56 6.686 -11.322 -0.355 406 HD21 LEU 56 1HD2 LEU 56 7.128 -14.410 -0.518 407 HD22 LEU 56 2HD2 LEU 56 5.576 -14.306 -1.350 408 HD23 LEU 56 3HD2 LEU 56 5.960 -13.174 -0.052 409 H ALA 57 H ALA 57 3.470 -13.836 -4.359 410 HA ALA 57 HA ALA 57 3.201 -13.720 -7.142 411 HB1 ALA 57 1HB ALA 57 1.452 -14.468 -5.523 412 HB2 ALA 57 2HB ALA 57 1.162 -12.772 -5.136 413 HB3 ALA 57 3HB ALA 57 0.867 -13.366 -6.770 414 H GLY 58 H GLY 58 2.660 -12.046 -8.558 415 HA2 GLY 58 1HA GLY 58 4.011 -9.706 -8.487 416 HA3 GLY 58 2HA GLY 58 2.474 -9.870 -9.323 417 H VAL 59 H VAL 59 4.082 -8.725 -6.458 418 HA VAL 59 HA VAL 59 1.776 -7.946 -5.008 419 HB VAL 59 HB VAL 59 4.618 -6.935 -4.873 420 HG11 VAL 59 1HG1 VAL 59 2.427 -6.478 -2.857 421 HG12 VAL 59 2HG1 VAL 59 4.066 -5.827 -2.833 422 HG13 VAL 59 3HG1 VAL 59 2.921 -5.286 -4.059 423 HG21 VAL 59 1HG2 VAL 59 3.211 -8.667 -2.869 424 HG22 VAL 59 2HG2 VAL 59 4.017 -9.361 -4.276 425 HG23 VAL 59 3HG2 VAL 59 4.943 -8.425 -3.103 426 H LYS 60 H LYS 60 0.359 -6.438 -5.549 427 HA LYS 60 HA LYS 60 1.058 -4.387 -7.484 428 HB2 LYS 60 1HB LYS 60 -1.539 -5.185 -6.170 429 HB3 LYS 60 2HB LYS 60 -1.401 -3.789 -7.230 430 HG2 LYS 60 1HG LYS 60 -0.701 -5.223 -9.062 431 HG3 LYS 60 2HG LYS 60 -0.778 -6.632 -8.002 432 HD2 LYS 60 1HD LYS 60 -3.179 -4.883 -8.373 433 HD3 LYS 60 2HD LYS 60 -2.777 -6.112 -9.574 434 HE2 LYS 60 1HE LYS 60 -2.631 -7.702 -7.534 435 HE3 LYS 60 2HE LYS 60 -3.554 -6.452 -6.701 436 HZ1 LYS 60 1HZ LYS 60 -4.371 -8.226 -8.879 437 HZ2 LYS 60 2HZ LYS 60 -5.037 -6.672 -8.843 438 HZ3 LYS 60 3HZ LYS 60 -5.241 -7.711 -7.523 439 H ILE 61 H ILE 61 0.917 -2.165 -7.120 440 HA ILE 61 HA ILE 61 0.760 -1.337 -4.298 441 HB ILE 61 HB ILE 61 2.677 -0.197 -6.332 442 HG12 ILE 61 1HG1 ILE 61 3.248 -2.520 -5.635 443 HG13 ILE 61 2HG1 ILE 61 4.443 -1.331 -5.129 444 HG21 ILE 61 1HG2 ILE 61 2.688 1.537 -4.931 445 HG22 ILE 61 2HG2 ILE 61 1.770 0.656 -3.711 446 HG23 ILE 61 3HG2 ILE 61 3.524 0.481 -3.794 447 HD11 ILE 61 1HD1 ILE 61 4.246 -2.579 -3.232 448 HD12 ILE 61 2HD1 ILE 61 3.035 -1.335 -2.919 449 HD13 ILE 61 3HD1 ILE 61 2.537 -2.923 -3.501 450 H ALA 62 H ALA 62 -0.995 -0.119 -4.089 451 HA ALA 62 HA ALA 62 -1.573 1.871 -6.187 452 HB1 ALA 62 1HB ALA 62 -3.178 -0.194 -5.751 453 HB2 ALA 62 2HB ALA 62 -3.788 0.871 -4.483 454 HB3 ALA 62 3HB ALA 62 -3.800 1.404 -6.165 455 H GLU 63 H GLU 63 -3.289 3.515 -5.148 456 HA GLU 63 HA GLU 63 -2.301 4.299 -2.491 457 HB2 GLU 63 1HB GLU 63 -1.693 6.391 -3.140 458 HB3 GLU 63 2HB GLU 63 -1.432 5.578 -4.676 459 HG2 GLU 63 1HG GLU 63 -3.923 7.078 -3.901 460 HG3 GLU 63 2HG GLU 63 -2.632 7.692 -4.932 461 H VAL 64 H VAL 64 -3.723 6.047 -1.515 462 HA VAL 64 HA VAL 64 -6.453 6.163 -2.432 463 HB VAL 64 HB VAL 64 -5.758 4.626 0.068 464 HG11 VAL 64 1HG1 VAL 64 -8.199 4.543 0.485 465 HG12 VAL 64 2HG1 VAL 64 -7.519 6.164 0.647 466 HG13 VAL 64 3HG1 VAL 64 -8.426 5.727 -0.801 467 HG21 VAL 64 1HG2 VAL 64 -5.770 3.248 -1.888 468 HG22 VAL 64 2HG2 VAL 64 -7.252 2.926 -0.988 469 HG23 VAL 64 3HG2 VAL 64 -7.299 3.941 -2.430 470 H ASP 65 H ASP 65 -7.115 8.157 -2.022 471 HA ASP 65 HA ASP 65 -5.720 9.791 -0.082 472 HB2 ASP 65 1HB ASP 65 -8.043 10.526 -1.874 473 HB3 ASP 65 2HB ASP 65 -7.000 11.642 -0.998 474 H CYS 66 H CYS 66 -6.515 10.568 1.812 475 HA CYS 66 HA CYS 66 -8.912 9.270 2.838 476 HB2 CYS 66 1HB CYS 66 -6.621 10.755 4.087 477 HB3 CYS 66 2HB CYS 66 -8.109 10.497 4.993 478 H THR 67 H THR 67 -8.692 11.724 0.947 479 HA THR 67 HA THR 67 -10.404 13.538 2.513 480 HB THR 67 HB THR 67 -9.883 15.223 0.718 481 HG1 THR 67 1HG THR 67 -7.936 13.270 -0.014 482 HG21 THR 67 1HG2 THR 67 -7.458 15.522 1.486 483 HG22 THR 67 2HG2 THR 67 -7.716 14.070 2.454 484 HG23 THR 67 3HG2 THR 67 -8.705 15.503 2.733 485 H ALA 68 H ALA 68 -10.231 11.514 -0.299 486 HA ALA 68 HA ALA 68 -12.946 12.363 -1.072 487 HB1 ALA 68 1HB ALA 68 -11.576 10.766 -3.062 488 HB2 ALA 68 2HB ALA 68 -12.330 12.354 -3.212 489 HB3 ALA 68 3HB ALA 68 -10.667 12.218 -2.643 490 H GLU 69 H GLU 69 -10.821 9.595 -0.536 491 HA GLU 69 HA GLU 69 -13.096 7.770 -0.766 492 HB2 GLU 69 1HB GLU 69 -10.118 7.355 -0.632 493 HB3 GLU 69 2HB GLU 69 -11.245 6.022 -0.416 494 HG2 GLU 69 1HG GLU 69 -12.072 6.231 -2.611 495 HG3 GLU 69 2HG GLU 69 -11.300 7.800 -2.832 496 H ARG 70 H ARG 70 -13.180 9.511 1.413 497 HA ARG 70 HA ARG 70 -12.098 8.752 3.804 498 HB2 ARG 70 1HB ARG 70 -14.938 9.651 3.286 499 HB3 ARG 70 2HB ARG 70 -14.173 9.613 4.869 500 HG2 ARG 70 1HG ARG 70 -12.829 11.129 2.696 501 HG3 ARG 70 2HG ARG 70 -14.278 11.816 3.433 502 HD2 ARG 70 1HD ARG 70 -13.209 11.509 5.661 503 HD3 ARG 70 2HD ARG 70 -11.737 10.998 4.835 504 HE ARG 70 HE ARG 70 -12.366 13.439 3.751 505 HH11 ARG 70 2HH1 ARG 70 -11.704 12.210 6.940 506 HH12 ARG 70 1HH1 ARG 70 -11.031 13.699 7.515 507 HH21 ARG 70 2HH2 ARG 70 -11.483 15.405 4.497 508 HH22 ARG 70 1HH2 ARG 70 -10.906 15.516 6.125 509 H ASN 71 H ASN 71 -15.240 7.573 2.583 510 HA ASN 71 HA ASN 71 -16.010 5.787 4.401 511 HB2 ASN 71 1HB ASN 71 -16.046 5.698 1.427 512 HB3 ASN 71 2HB ASN 71 -16.466 4.216 2.282 513 HD21 ASN 71 1HD2 ASN 71 -18.585 4.345 1.509 514 HD22 ASN 71 2HD2 ASN 71 -19.723 5.466 2.167 515 H ILE 72 H ILE 72 -13.430 5.159 2.046 516 HA ILE 72 HA ILE 72 -12.865 2.539 3.006 517 HB ILE 72 HB ILE 72 -11.117 4.393 1.385 518 HG12 ILE 72 1HG1 ILE 72 -12.990 2.177 0.526 519 HG13 ILE 72 2HG1 ILE 72 -13.257 3.901 0.289 520 HG21 ILE 72 1HG2 ILE 72 -9.693 2.623 0.957 521 HG22 ILE 72 2HG2 ILE 72 -10.095 2.377 2.655 522 HG23 ILE 72 3HG2 ILE 72 -10.892 1.413 1.412 523 HD11 ILE 72 1HD1 ILE 72 -11.225 3.966 -1.123 524 HD12 ILE 72 2HD1 ILE 72 -11.110 2.212 -0.966 525 HD13 ILE 72 3HD1 ILE 72 -12.507 2.936 -1.763 526 H CYS 73 H CYS 73 -11.102 5.624 3.324 527 HA CYS 73 HA CYS 73 -9.085 4.748 5.014 528 HB2 CYS 73 1HB CYS 73 -10.352 7.381 4.448 529 HB3 CYS 73 2HB CYS 73 -9.335 7.265 5.879 530 H SER 74 H SER 74 -12.052 6.465 6.011 531 HA SER 74 HA SER 74 -11.816 6.322 8.719 532 HB2 SER 74 1HB SER 74 -13.730 7.290 7.256 533 HB3 SER 74 2HB SER 74 -14.467 5.699 7.442 534 HG SER 74 HG SER 74 -14.019 6.123 9.803 535 H LYS 75 H LYS 75 -12.976 3.764 6.568 536 HA LYS 75 HA LYS 75 -13.783 1.917 8.494 537 HB2 LYS 75 1HB LYS 75 -14.231 1.694 6.075 538 HB3 LYS 75 2HB LYS 75 -12.528 1.351 5.801 539 HG2 LYS 75 1HG LYS 75 -12.923 -0.580 7.499 540 HG3 LYS 75 2HG LYS 75 -14.622 -0.347 7.079 541 HD2 LYS 75 1HD LYS 75 -13.952 -0.569 4.668 542 HD3 LYS 75 2HD LYS 75 -12.347 -1.042 5.228 543 HE2 LYS 75 1HE LYS 75 -13.671 -3.011 4.738 544 HE3 LYS 75 2HE LYS 75 -13.351 -2.912 6.469 545 HZ1 LYS 75 1HZ LYS 75 -15.526 -3.086 6.774 546 HZ2 LYS 75 2HZ LYS 75 -15.840 -2.969 5.116 547 HZ3 LYS 75 3HZ LYS 75 -15.725 -1.567 6.056 548 H TYR 76 H TYR 76 -10.591 2.647 7.219 549 HA TYR 76 HA TYR 76 -9.397 0.499 8.796 550 HB2 TYR 76 1HB TYR 76 -8.235 2.423 6.776 551 HB3 TYR 76 2HB TYR 76 -7.270 1.260 7.679 552 HD1 TYR 76 1HD TYR 76 -7.832 -1.215 7.413 553 HD2 TYR 76 2HD TYR 76 -9.323 1.793 4.799 554 HE1 TYR 76 1HE TYR 76 -8.308 -2.933 5.719 555 HE2 TYR 76 2HE TYR 76 -9.805 0.083 3.098 556 HH TYR 76 HH TYR 76 -8.807 -2.331 2.582 557 H SER 77 H SER 77 -10.628 3.014 9.914 558 HA SER 77 HA SER 77 -10.156 4.698 11.402 559 HB2 SER 77 1HB SER 77 -8.715 2.252 12.335 560 HB3 SER 77 2HB SER 77 -8.461 3.761 13.211 561 HG SER 77 HG SER 77 -10.985 3.716 12.983 562 H VAL 78 H VAL 78 -8.521 4.743 8.989 563 HA VAL 78 HA VAL 78 -5.829 5.375 9.671 564 HB VAL 78 HB VAL 78 -7.350 6.220 7.201 565 HG11 VAL 78 1HG1 VAL 78 -5.420 6.987 6.368 566 HG12 VAL 78 2HG1 VAL 78 -4.862 6.996 8.041 567 HG13 VAL 78 3HG1 VAL 78 -4.500 5.621 6.996 568 HG21 VAL 78 1HG2 VAL 78 -7.209 4.150 6.373 569 HG22 VAL 78 2HG2 VAL 78 -5.560 3.934 6.959 570 HG23 VAL 78 3HG2 VAL 78 -6.924 3.633 8.036 571 H ARG 79 H ARG 79 -5.638 6.958 11.186 572 HA ARG 79 HA ARG 79 -6.818 9.579 10.533 573 HB2 ARG 79 1HB ARG 79 -6.689 10.087 12.945 574 HB3 ARG 79 2HB ARG 79 -7.713 8.697 12.612 575 HG2 ARG 79 1HG ARG 79 -6.157 7.192 13.476 576 HG3 ARG 79 2HG ARG 79 -4.837 8.359 13.375 577 HD2 ARG 79 1HD ARG 79 -5.295 8.395 15.628 578 HD3 ARG 79 2HD ARG 79 -6.302 9.722 15.051 579 HE ARG 79 HE ARG 79 -7.196 7.178 16.101 580 HH11 ARG 79 2HH1 ARG 79 -8.021 10.047 14.310 581 HH12 ARG 79 1HH1 ARG 79 -9.723 9.891 14.591 582 HH21 ARG 79 2HH2 ARG 79 -9.435 6.961 16.477 583 HH22 ARG 79 1HH2 ARG 79 -10.527 8.136 15.825 584 H GLY 80 H GLY 80 -3.932 7.839 11.486 585 HA2 GLY 80 1HA GLY 80 -2.378 10.332 11.451 586 HA3 GLY 80 2HA GLY 80 -1.827 8.787 12.082 587 H TYR 81 H TYR 81 -1.829 10.888 9.426 588 HA TYR 81 HA TYR 81 -0.873 8.795 7.605 589 HB2 TYR 81 1HB TYR 81 -1.260 11.611 6.701 590 HB3 TYR 81 2HB TYR 81 -1.531 10.105 5.830 591 HD1 TYR 81 1HD TYR 81 -3.474 8.606 6.982 592 HD2 TYR 81 2HD TYR 81 -3.134 12.841 7.211 593 HE1 TYR 81 1HE TYR 81 -5.884 8.768 7.447 594 HE2 TYR 81 2HE TYR 81 -5.543 13.015 7.677 595 HH TYR 81 HH TYR 81 -7.641 11.451 7.125 596 HA PRO 82 HA PRO 82 0.135 9.097 5.470 597 HB2 PRO 82 1HB PRO 82 2.300 7.597 4.811 598 HB3 PRO 82 2HB PRO 82 2.082 9.263 4.263 599 HG2 PRO 82 1HG PRO 82 3.733 8.215 6.530 600 HG3 PRO 82 2HG PRO 82 4.141 9.452 5.326 601 HD2 PRO 82 1HD PRO 82 3.337 10.071 7.837 602 HD3 PRO 82 2HD PRO 82 2.970 11.098 6.435 603 H THR 83 H THR 83 -0.537 6.933 5.203 604 HA THR 83 HA THR 83 0.049 5.141 7.465 605 HB THR 83 HB THR 83 -2.656 5.284 6.141 606 HG1 THR 83 1HG THR 83 -2.256 6.363 8.692 607 HG21 THR 83 1HG2 THR 83 -2.778 3.339 7.284 608 HG22 THR 83 2HG2 THR 83 -3.031 4.393 8.675 609 HG23 THR 83 3HG2 THR 83 -1.424 3.752 8.335 610 H LEU 84 H LEU 84 0.483 3.062 6.966 611 HA LEU 84 HA LEU 84 0.074 2.210 4.177 612 HB2 LEU 84 1HB LEU 84 2.394 1.358 5.885 613 HB3 LEU 84 2HB LEU 84 2.173 1.114 4.154 614 HG LEU 84 HG LEU 84 2.598 3.806 5.447 615 HD11 LEU 84 1HD1 LEU 84 4.469 1.766 5.140 616 HD12 LEU 84 2HD1 LEU 84 4.793 3.475 5.435 617 HD13 LEU 84 3HD1 LEU 84 4.752 2.856 3.783 618 HD21 LEU 84 1HD2 LEU 84 3.210 3.351 2.611 619 HD22 LEU 84 2HD2 LEU 84 2.424 4.718 3.400 620 HD23 LEU 84 3HD2 LEU 84 1.500 3.262 3.030 621 H LEU 85 H LEU 85 -0.757 0.210 3.860 622 HA LEU 85 HA LEU 85 -0.840 -1.707 6.043 623 HB2 LEU 85 1HB LEU 85 -3.268 -0.404 4.856 624 HB3 LEU 85 2HB LEU 85 -3.347 -2.007 5.586 625 HG LEU 85 HG LEU 85 -2.428 0.463 7.050 626 HD11 LEU 85 1HD1 LEU 85 -5.136 -0.679 6.602 627 HD12 LEU 85 2HD1 LEU 85 -4.627 1.002 6.753 628 HD13 LEU 85 3HD1 LEU 85 -4.753 -0.013 8.190 629 HD21 LEU 85 1HD2 LEU 85 -1.931 -2.105 7.680 630 HD22 LEU 85 2HD2 LEU 85 -3.509 -1.901 8.443 631 HD23 LEU 85 3HD2 LEU 85 -2.174 -0.835 8.880 632 H LEU 86 H LEU 86 -0.363 -3.633 5.235 633 HA LEU 86 HA LEU 86 -0.581 -4.084 2.368 634 HB2 LEU 86 1HB LEU 86 1.506 -4.682 3.367 635 HB3 LEU 86 2HB LEU 86 0.699 -5.652 4.598 636 HG LEU 86 HG LEU 86 -0.108 -7.069 2.567 637 HD11 LEU 86 1HD1 LEU 86 1.806 -7.078 0.845 638 HD12 LEU 86 2HD1 LEU 86 2.126 -5.441 1.415 639 HD13 LEU 86 3HD1 LEU 86 0.558 -5.839 0.714 640 HD21 LEU 86 1HD2 LEU 86 1.450 -8.584 3.174 641 HD22 LEU 86 2HD2 LEU 86 1.797 -7.400 4.434 642 HD23 LEU 86 3HD2 LEU 86 2.788 -7.453 2.976 643 H PHE 87 H PHE 87 -1.731 -5.766 1.424 644 HA PHE 87 HA PHE 87 -3.590 -7.233 3.166 645 HB2 PHE 87 1HB PHE 87 -4.293 -5.788 0.603 646 HB3 PHE 87 2HB PHE 87 -5.366 -6.907 1.438 647 HD1 PHE 87 1HD PHE 87 -3.796 -3.604 1.537 648 HD2 PHE 87 2HD PHE 87 -6.463 -6.286 3.488 649 HE1 PHE 87 1HE PHE 87 -4.630 -1.756 2.931 650 HE2 PHE 87 2HE PHE 87 -7.302 -4.442 4.884 651 HZ PHE 87 HZ PHE 87 -6.386 -2.174 4.606 652 H ARG 88 H ARG 88 -3.748 -9.348 2.735 653 HA ARG 88 HA ARG 88 -2.839 -10.331 0.121 654 HB2 ARG 88 1HB ARG 88 -0.976 -10.574 1.707 655 HB3 ARG 88 2HB ARG 88 -2.020 -11.480 2.794 656 HG2 ARG 88 1HG ARG 88 -2.242 -13.248 1.143 657 HG3 ARG 88 2HG ARG 88 -1.246 -12.329 0.011 658 HD2 ARG 88 1HD ARG 88 0.683 -12.601 1.317 659 HD3 ARG 88 2HD ARG 88 -0.244 -13.085 2.737 660 HE ARG 88 HE ARG 88 -0.457 -14.861 0.466 661 HH11 ARG 88 2HH1 ARG 88 1.215 -14.105 3.423 662 HH12 ARG 88 1HH1 ARG 88 1.816 -15.714 3.649 663 HH21 ARG 88 2HH2 ARG 88 0.328 -16.984 0.751 664 HH22 ARG 88 1HH2 ARG 88 1.311 -17.350 2.127 665 H GLY 89 H GLY 89 -3.778 -12.277 -0.568 666 HA2 GLY 89 1HA GLY 89 -5.591 -13.665 -0.858 667 HA3 GLY 89 2HA GLY 89 -5.341 -14.041 0.840 668 H GLY 90 H GLY 90 -6.234 -10.853 -0.318 669 HA2 GLY 90 1HA GLY 90 -8.165 -9.626 -0.084 670 HA3 GLY 90 2HA GLY 90 -9.037 -11.147 0.028 671 H LYS 91 H LYS 91 -6.496 -9.823 2.122 672 HA LYS 91 HA LYS 91 -8.314 -9.126 4.216 673 HB2 LYS 91 1HB LYS 91 -8.047 -10.858 5.709 674 HB3 LYS 91 2HB LYS 91 -8.035 -11.743 4.189 675 HG2 LYS 91 1HG LYS 91 -5.450 -11.388 4.344 676 HG3 LYS 91 2HG LYS 91 -5.793 -11.153 6.060 677 HD2 LYS 91 1HD LYS 91 -6.936 -13.518 4.637 678 HD3 LYS 91 2HD LYS 91 -5.243 -13.538 5.136 679 HE2 LYS 91 1HE LYS 91 -6.211 -12.761 7.433 680 HE3 LYS 91 2HE LYS 91 -7.718 -13.430 6.808 681 HZ1 LYS 91 1HZ LYS 91 -6.496 -15.065 8.095 682 HZ2 LYS 91 2HZ LYS 91 -5.152 -14.903 7.082 683 HZ3 LYS 91 3HZ LYS 91 -6.594 -15.547 6.476 684 H LYS 92 H LYS 92 -7.317 -7.993 5.892 685 HA LYS 92 HA LYS 92 -5.010 -6.570 5.272 686 HB2 LYS 92 1HB LYS 92 -5.191 -5.578 7.389 687 HB3 LYS 92 2HB LYS 92 -6.842 -6.035 6.990 688 HG2 LYS 92 1HG LYS 92 -6.256 -8.209 8.304 689 HG3 LYS 92 2HG LYS 92 -4.984 -7.206 9.005 690 HD2 LYS 92 1HD LYS 92 -7.796 -6.192 8.907 691 HD3 LYS 92 2HD LYS 92 -7.321 -7.346 10.157 692 HE2 LYS 92 1HE LYS 92 -5.774 -4.823 9.626 693 HE3 LYS 92 2HE LYS 92 -7.150 -4.866 10.728 694 HZ1 LYS 92 1HZ LYS 92 -4.497 -6.070 11.017 695 HZ2 LYS 92 2HZ LYS 92 -5.811 -6.878 11.712 696 HZ3 LYS 92 3HZ LYS 92 -5.458 -5.288 12.169 697 H VAL 93 H VAL 93 -2.873 -6.699 5.911 698 HA VAL 93 HA VAL 93 -2.034 -9.331 6.924 699 HB VAL 93 HB VAL 93 -0.459 -7.320 5.311 700 HG11 VAL 93 1HG1 VAL 93 0.834 -9.764 5.212 701 HG12 VAL 93 2HG1 VAL 93 1.331 -8.353 6.149 702 HG13 VAL 93 3HG1 VAL 93 0.345 -9.609 6.900 703 HG21 VAL 93 1HG2 VAL 93 -1.727 -9.951 4.568 704 HG22 VAL 93 2HG2 VAL 93 -2.115 -8.355 3.926 705 HG23 VAL 93 3HG2 VAL 93 -0.558 -9.098 3.559 706 H SER 94 H SER 94 -0.877 -5.953 6.971 707 HA SER 94 HA SER 94 -0.708 -5.856 9.803 708 HB2 SER 94 1HB SER 94 1.278 -7.350 9.072 709 HB3 SER 94 2HB SER 94 1.996 -5.850 8.485 710 HG SER 94 HG SER 94 2.263 -6.693 10.843 711 H GLU 95 H GLU 95 0.638 -3.861 10.487 712 HA GLU 95 HA GLU 95 0.216 -1.744 8.480 713 HB2 GLU 95 1HB GLU 95 -1.326 -1.720 10.475 714 HB3 GLU 95 2HB GLU 95 0.084 -1.411 11.478 715 HG2 GLU 95 1HG GLU 95 0.421 0.707 10.564 716 HG3 GLU 95 2HG GLU 95 -0.599 0.366 9.168 717 H HIS 96 H HIS 96 2.133 -1.168 7.691 718 HA HIS 96 HA HIS 96 4.597 -1.505 9.027 719 HB2 HIS 96 1HB HIS 96 4.235 -1.330 6.526 720 HB3 HIS 96 2HB HIS 96 4.069 0.408 6.751 721 HD1 HIS 96 1HD HIS 96 6.398 0.749 8.819 722 HD2 HIS 96 2HD HIS 96 6.652 -1.327 5.229 723 HE1 HIS 96 1HE HIS 96 8.841 0.732 8.223 724 HE2 HIS 96 2HE HIS 96 8.961 -0.456 6.006 725 H SER 97 H SER 97 4.717 -0.509 10.990 726 HA SER 97 HA SER 97 4.400 2.421 11.017 727 HB2 SER 97 1HB SER 97 2.843 1.183 12.513 728 HB3 SER 97 2HB SER 97 4.234 0.520 13.369 729 HG SER 97 HG SER 97 3.461 2.351 14.441 730 H GLY 98 H GLY 98 6.653 2.256 10.065 731 HA2 GLY 98 1HA GLY 98 8.542 2.842 12.137 732 HA3 GLY 98 2HA GLY 98 8.890 1.313 11.344 733 H GLY 99 H GLY 99 10.740 1.847 10.282 734 HA2 GLY 99 1HA GLY 99 11.404 4.226 9.060 735 HA3 GLY 99 2HA GLY 99 11.996 2.657 8.534 736 H ARG 100 H ARG 100 10.797 5.306 7.301 737 HA ARG 100 HA ARG 100 8.913 3.990 5.468 738 HB2 ARG 100 1HB ARG 100 9.364 6.886 6.172 739 HB3 ARG 100 2HB ARG 100 8.400 6.393 4.786 740 HG2 ARG 100 1HG ARG 100 7.760 5.249 7.456 741 HG3 ARG 100 2HG ARG 100 7.284 6.910 7.096 742 HD2 ARG 100 1HD ARG 100 6.142 6.089 5.057 743 HD3 ARG 100 2HD ARG 100 6.541 4.440 5.535 744 HE ARG 100 HE ARG 100 4.451 6.087 6.596 745 HH11 ARG 100 2HH1 ARG 100 6.624 3.459 7.292 746 HH12 ARG 100 1HH1 ARG 100 5.608 2.770 8.515 747 HH21 ARG 100 2HH2 ARG 100 3.104 5.190 8.204 748 HH22 ARG 100 1HH2 ARG 100 3.606 3.755 9.032 749 H ASP 101 H ASP 101 11.597 3.391 5.126 750 HA ASP 101 HA ASP 101 12.484 5.045 2.875 751 HB2 ASP 101 1HB ASP 101 13.946 2.838 4.341 752 HB3 ASP 101 2HB ASP 101 14.628 3.879 3.094 753 H LEU 102 H LEU 102 12.681 4.274 0.821 754 HA LEU 102 HA LEU 102 11.004 2.494 -0.271 755 HB2 LEU 102 1HB LEU 102 12.336 3.782 -1.717 756 HB3 LEU 102 2HB LEU 102 13.831 3.132 -1.050 757 HG LEU 102 HG LEU 102 13.404 0.992 -2.127 758 HD11 LEU 102 1HD1 LEU 102 11.150 2.035 -3.724 759 HD12 LEU 102 2HD1 LEU 102 10.796 1.597 -2.052 760 HD13 LEU 102 3HD1 LEU 102 11.481 0.400 -3.151 761 HD21 LEU 102 1HD2 LEU 102 13.356 1.896 -4.555 762 HD22 LEU 102 2HD2 LEU 102 14.695 2.342 -3.496 763 HD23 LEU 102 3HD2 LEU 102 13.380 3.482 -3.786 764 H ASP 103 H ASP 103 14.297 1.623 0.780 765 HA ASP 103 HA ASP 103 14.057 -1.130 0.264 766 HB2 ASP 103 1HB ASP 103 16.172 0.267 0.758 767 HB3 ASP 103 2HB ASP 103 15.789 -0.008 2.455 768 H SER 104 H SER 104 13.483 0.762 3.205 769 HA SER 104 HA SER 104 13.002 -1.312 4.985 770 HB2 SER 104 1HB SER 104 11.981 1.510 4.815 771 HB3 SER 104 2HB SER 104 11.417 0.428 6.090 772 HG SER 104 HG SER 104 13.440 0.315 6.906 773 H LEU 105 H LEU 105 11.027 -0.082 2.413 774 HA LEU 105 HA LEU 105 8.631 -1.422 3.346 775 HB2 LEU 105 1HB LEU 105 9.245 0.090 0.814 776 HB3 LEU 105 2HB LEU 105 7.674 -0.613 1.193 777 HG LEU 105 HG LEU 105 9.021 1.528 2.836 778 HD11 LEU 105 1HD1 LEU 105 8.505 2.429 0.663 779 HD12 LEU 105 2HD1 LEU 105 7.336 3.035 1.836 780 HD13 LEU 105 3HD1 LEU 105 6.881 1.744 0.723 781 HD21 LEU 105 1HD2 LEU 105 7.467 1.043 4.343 782 HD22 LEU 105 2HD2 LEU 105 6.771 -0.187 3.287 783 HD23 LEU 105 3HD2 LEU 105 6.230 1.488 3.166 784 H HIS 106 H HIS 106 10.935 -1.734 0.660 785 HA HIS 106 HA HIS 106 9.791 -3.872 -0.673 786 HB2 HIS 106 1HB HIS 106 11.775 -2.548 -1.436 787 HB3 HIS 106 2HB HIS 106 12.759 -3.441 -0.280 788 HD1 HIS 106 1HD HIS 106 13.941 -5.355 -1.280 789 HD2 HIS 106 2HD HIS 106 10.404 -4.518 -3.291 790 HE1 HIS 106 1HE HIS 106 13.848 -6.994 -3.185 791 HE2 HIS 106 2HE HIS 106 11.742 -6.411 -4.438 792 H ARG 107 H ARG 107 11.892 -3.878 2.165 793 HA ARG 107 HA ARG 107 12.089 -6.733 2.287 794 HB2 ARG 107 1HB ARG 107 13.336 -6.419 4.268 795 HB3 ARG 107 2HB ARG 107 13.753 -5.058 3.236 796 HG2 ARG 107 1HG ARG 107 11.892 -3.812 4.521 797 HG3 ARG 107 2HG ARG 107 12.077 -5.106 5.708 798 HD2 ARG 107 1HD ARG 107 14.341 -3.394 4.694 799 HD3 ARG 107 2HD ARG 107 13.444 -3.071 6.177 800 HE ARG 107 HE ARG 107 14.529 -5.720 6.084 801 HH11 ARG 107 2HH1 ARG 107 15.235 -2.390 6.815 802 HH12 ARG 107 1HH1 ARG 107 16.518 -2.768 7.918 803 HH21 ARG 107 2HH2 ARG 107 16.216 -6.230 7.533 804 HH22 ARG 107 1HH2 ARG 107 17.075 -4.952 8.323 805 H PHE 108 H PHE 108 10.136 -4.269 3.896 806 HA PHE 108 HA PHE 108 8.918 -5.789 5.854 807 HB2 PHE 108 1HB PHE 108 8.436 -3.510 5.949 808 HB3 PHE 108 2HB PHE 108 8.006 -3.428 4.244 809 HD1 PHE 108 2HD PHE 108 5.824 -4.308 3.480 810 HD2 PHE 108 1HD PHE 108 6.829 -4.032 7.607 811 HE1 PHE 108 2HE PHE 108 3.446 -4.522 4.070 812 HE2 PHE 108 1HE PHE 108 4.451 -4.246 8.204 813 HZ PHE 108 HZ PHE 108 2.755 -4.491 6.434 814 H VAL 109 H VAL 109 7.818 -5.287 2.506 815 HA VAL 109 HA VAL 109 5.570 -6.986 2.688 816 HB VAL 109 HB VAL 109 7.162 -6.139 0.265 817 HG11 VAL 109 1HG1 VAL 109 5.908 -8.177 -0.197 818 HG12 VAL 109 2HG1 VAL 109 4.437 -7.423 0.418 819 HG13 VAL 109 3HG1 VAL 109 5.203 -6.801 -1.043 820 HG21 VAL 109 1HG2 VAL 109 5.039 -4.691 -0.011 821 HG22 VAL 109 2HG2 VAL 109 4.795 -5.003 1.708 822 HG23 VAL 109 3HG2 VAL 109 6.262 -4.191 1.157 823 H LEU 110 H LEU 110 8.861 -7.536 1.472 824 HA LEU 110 HA LEU 110 8.594 -10.112 0.524 825 HB2 LEU 110 1HB LEU 110 10.895 -8.749 1.895 826 HB3 LEU 110 2HB LEU 110 11.024 -10.373 1.223 827 HG LEU 110 HG LEU 110 10.213 -8.011 -0.451 828 HD11 LEU 110 1HD1 LEU 110 12.884 -8.786 0.541 829 HD12 LEU 110 2HD1 LEU 110 12.271 -7.214 0.029 830 HD13 LEU 110 3HD1 LEU 110 12.759 -8.405 -1.178 831 HD21 LEU 110 1HD2 LEU 110 10.587 -10.842 -0.873 832 HD22 LEU 110 2HD2 LEU 110 11.640 -9.894 -1.922 833 HD23 LEU 110 3HD2 LEU 110 9.898 -9.625 -1.947 834 H SER 111 H SER 111 9.621 -9.178 3.810 835 HA SER 111 HA SER 111 9.574 -11.822 4.824 836 HB2 SER 111 1HB SER 111 10.864 -9.950 5.847 837 HB3 SER 111 2HB SER 111 9.342 -9.232 6.376 838 HG SER 111 HG SER 111 8.992 -10.985 7.702 839 H GLN 112 H GLN 112 7.283 -9.117 5.122 840 HA GLN 112 HA GLN 112 5.383 -10.196 6.753 841 HB2 GLN 112 1HB GLN 112 5.218 -8.352 4.408 842 HB3 GLN 112 2HB GLN 112 3.727 -8.933 5.137 843 HG2 GLN 112 1HG GLN 112 5.924 -7.483 6.596 844 HG3 GLN 112 2HG GLN 112 4.426 -6.756 6.017 845 HE21 GLN 112 1HE2 GLN 112 5.883 -7.803 8.690 846 HE22 GLN 112 2HE2 GLN 112 4.521 -8.310 9.622 847 H ALA 113 H ALA 113 5.093 -10.339 3.200 848 HA ALA 113 HA ALA 113 3.043 -12.182 3.067 849 HB1 ALA 113 1HB ALA 113 3.511 -11.190 1.044 850 HB2 ALA 113 2HB ALA 113 5.250 -11.445 1.199 851 HB3 ALA 113 3HB ALA 113 4.192 -12.800 0.805 852 H LYS 114 H LYS 114 6.542 -12.826 3.030 853 HA LYS 114 HA LYS 114 6.350 -15.625 2.840 854 HB2 LYS 114 1HB LYS 114 8.475 -13.704 3.685 855 HB3 LYS 114 2HB LYS 114 8.701 -15.413 4.034 856 HG2 LYS 114 1HG LYS 114 8.187 -15.780 1.545 857 HG3 LYS 114 2HG LYS 114 8.492 -14.049 1.378 858 HD2 LYS 114 1HD LYS 114 10.469 -15.775 2.810 859 HD3 LYS 114 2HD LYS 114 10.436 -15.762 1.046 860 HE2 LYS 114 1HE LYS 114 11.918 -14.068 1.396 861 HE3 LYS 114 2HE LYS 114 10.419 -13.142 1.435 862 HZ1 LYS 114 1HZ LYS 114 11.859 -14.179 3.817 863 HZ2 LYS 114 2HZ LYS 114 10.440 -13.260 3.841 864 HZ3 LYS 114 3HZ LYS 114 11.880 -12.574 3.280 865 H ASP 115 H ASP 115 4.600 -16.055 4.341 866 HA ASP 115 HA ASP 115 5.564 -16.274 7.118 867 HB2 ASP 115 1HB ASP 115 3.785 -14.590 6.954 868 HB3 ASP 115 2HB ASP 115 2.725 -15.776 6.199 869 H GLU 116 H GLU 116 6.371 -18.375 6.440 870 HA GLU 116 HA GLU 116 4.735 -20.424 5.435 871 HB2 GLU 116 1HB GLU 116 7.269 -20.388 5.561 872 HB3 GLU 116 2HB GLU 116 7.106 -20.824 7.257 873 HG2 GLU 116 1HG GLU 116 6.116 -22.907 6.719 874 HG3 GLU 116 2HG GLU 116 5.925 -22.452 5.026 875 H LEU 117 H LEU 117 2.774 -20.443 6.542 876 HA LEU 117 HA LEU 117 2.709 -20.825 9.402 877 HB2 LEU 117 1HB LEU 117 0.598 -20.737 7.266 878 HB3 LEU 117 2HB LEU 117 0.223 -21.134 8.942 879 HG LEU 117 HG LEU 117 1.663 -18.589 8.351 880 HD11 LEU 117 1HD1 LEU 117 -1.326 -18.688 8.272 881 HD12 LEU 117 2HD1 LEU 117 -0.381 -18.921 6.802 882 HD13 LEU 117 3HD1 LEU 117 -0.232 -17.420 7.716 883 HD21 LEU 117 1HD2 LEU 117 0.058 -17.919 10.257 884 HD22 LEU 117 2HD2 LEU 117 1.434 -18.957 10.632 885 HD23 LEU 117 3HD2 LEU 117 -0.177 -19.655 10.460 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -1.594 -11.006 -20.744 2 HA2 GLY 1 1HA GLY 1 -1.081 -8.684 -22.488 3 HA3 GLY 1 2HA GLY 1 -2.668 -9.356 -22.144 4 H SER 2 H SER 2 -2.580 -6.764 -21.861 5 HA SER 2 HA SER 2 -2.936 -6.373 -19.026 6 HB2 SER 2 1HB SER 2 -1.332 -4.691 -18.664 7 HB3 SER 2 2HB SER 2 -0.454 -5.918 -19.578 8 HG SER 2 HG SER 2 -1.496 -3.451 -20.486 9 H SER 3 H SER 3 -4.494 -4.905 -18.617 10 HA SER 3 HA SER 3 -5.542 -3.401 -20.920 11 HB2 SER 3 1HB SER 3 -7.710 -3.426 -19.767 12 HB3 SER 3 2HB SER 3 -7.099 -5.067 -19.986 13 HG SER 3 HG SER 3 -6.162 -4.282 -17.684 14 H GLY 4 H GLY 4 -4.045 -1.669 -20.559 15 HA2 GLY 4 1HA GLY 4 -3.422 0.375 -19.720 16 HA3 GLY 4 2HA GLY 4 -5.082 0.494 -19.155 17 H SER 5 H SER 5 -1.828 0.159 -18.260 18 HA SER 5 HA SER 5 -2.618 -0.002 -15.443 19 HB2 SER 5 1HB SER 5 -0.776 -1.557 -14.956 20 HB3 SER 5 2HB SER 5 -1.921 -2.268 -16.093 21 HG SER 5 HG SER 5 -0.290 -2.513 -17.378 22 H SER 6 H SER 6 -1.158 0.980 -13.984 23 HA SER 6 HA SER 6 0.658 2.898 -15.278 24 HB2 SER 6 1HB SER 6 -1.091 3.031 -12.866 25 HB3 SER 6 2HB SER 6 0.410 3.956 -12.846 26 HG SER 6 HG SER 6 -1.796 4.193 -14.584 27 H GLY 7 H GLY 7 2.779 2.725 -14.956 28 HA2 GLY 7 1HA GLY 7 3.763 0.678 -13.142 29 HA3 GLY 7 2HA GLY 7 4.711 1.574 -14.321 30 H THR 8 H THR 8 2.618 3.204 -12.065 31 HA THR 8 HA THR 8 4.968 4.022 -10.490 32 HB THR 8 HB THR 8 3.507 6.254 -10.297 33 HG1 THR 8 1HG THR 8 2.132 5.046 -12.059 34 HG21 THR 8 1HG2 THR 8 4.982 6.339 -12.798 35 HG22 THR 8 2HG2 THR 8 5.877 5.503 -11.528 36 HG23 THR 8 3HG2 THR 8 5.310 7.153 -11.268 37 H VAL 9 H VAL 9 1.403 4.141 -10.559 38 HA VAL 9 HA VAL 9 1.242 2.954 -7.945 39 HB VAL 9 HB VAL 9 0.474 5.848 -8.320 40 HG11 VAL 9 1HG1 VAL 9 -1.349 4.645 -7.213 41 HG12 VAL 9 2HG1 VAL 9 -0.209 4.022 -6.017 42 HG13 VAL 9 3HG1 VAL 9 -0.538 5.753 -6.106 43 HG21 VAL 9 1HG2 VAL 9 1.854 6.068 -6.217 44 HG22 VAL 9 2HG2 VAL 9 2.378 4.406 -6.486 45 HG23 VAL 9 3HG2 VAL 9 2.747 5.651 -7.679 46 H LEU 10 H LEU 10 -0.695 1.974 -7.615 47 HA LEU 10 HA LEU 10 -2.605 2.093 -9.819 48 HB2 LEU 10 1HB LEU 10 -1.964 0.147 -7.669 49 HB3 LEU 10 2HB LEU 10 -3.608 0.160 -8.306 50 HG LEU 10 HG LEU 10 -2.269 0.022 -10.614 51 HD11 LEU 10 1HD1 LEU 10 -0.244 -1.043 -10.533 52 HD12 LEU 10 2HD1 LEU 10 -0.548 -1.740 -8.942 53 HD13 LEU 10 3HD1 LEU 10 -0.132 -0.032 -9.092 54 HD21 LEU 10 1HD2 LEU 10 -4.019 -1.506 -9.826 55 HD22 LEU 10 2HD2 LEU 10 -2.833 -2.338 -8.821 56 HD23 LEU 10 3HD2 LEU 10 -2.680 -2.373 -10.578 57 H ALA 11 H ALA 11 -3.552 4.118 -9.312 58 HA ALA 11 HA ALA 11 -4.663 4.813 -6.837 59 HB1 ALA 11 1HB ALA 11 -4.672 6.680 -8.079 60 HB2 ALA 11 2HB ALA 11 -4.835 5.790 -9.593 61 HB3 ALA 11 3HB ALA 11 -6.260 6.125 -8.609 62 H LEU 12 H LEU 12 -5.753 2.998 -6.008 63 HA LEU 12 HA LEU 12 -7.916 1.762 -7.414 64 HB2 LEU 12 1HB LEU 12 -7.087 1.657 -4.520 65 HB3 LEU 12 2HB LEU 12 -8.371 0.675 -5.222 66 HG LEU 12 HG LEU 12 -5.476 0.562 -6.062 67 HD11 LEU 12 1HD1 LEU 12 -5.918 -1.811 -4.923 68 HD12 LEU 12 2HD1 LEU 12 -6.991 -0.821 -3.934 69 HD13 LEU 12 3HD1 LEU 12 -5.275 -0.427 -4.037 70 HD21 LEU 12 1HD2 LEU 12 -7.736 -1.338 -6.657 71 HD22 LEU 12 2HD2 LEU 12 -6.096 -1.381 -7.305 72 HD23 LEU 12 3HD2 LEU 12 -7.192 -0.076 -7.762 73 H THR 13 H THR 13 -10.147 1.776 -6.744 74 HA THR 13 HA THR 13 -10.961 4.247 -5.364 75 HB THR 13 HB THR 13 -12.789 4.567 -6.904 76 HG1 THR 13 1HG THR 13 -13.353 3.091 -8.371 77 HG21 THR 13 1HG2 THR 13 -10.664 4.070 -8.891 78 HG22 THR 13 2HG2 THR 13 -10.206 5.067 -7.510 79 HG23 THR 13 3HG2 THR 13 -11.560 5.545 -8.533 80 H GLU 14 H GLU 14 -13.267 4.159 -4.615 81 HA GLU 14 HA GLU 14 -13.668 1.969 -2.926 82 HB2 GLU 14 1HB GLU 14 -14.647 4.357 -2.806 83 HB3 GLU 14 2HB GLU 14 -15.917 3.736 -3.851 84 HG2 GLU 14 1HG GLU 14 -15.206 2.410 -1.258 85 HG3 GLU 14 2HG GLU 14 -16.350 3.747 -1.346 86 H ASN 15 H ASN 15 -14.156 2.193 -6.236 87 HA ASN 15 HA ASN 15 -16.305 0.216 -6.297 88 HB2 ASN 15 1HB ASN 15 -15.093 2.085 -8.271 89 HB3 ASN 15 2HB ASN 15 -15.776 0.586 -8.893 90 HD21 ASN 15 1HD2 ASN 15 -16.748 3.144 -9.492 91 HD22 ASN 15 2HD2 ASN 15 -18.344 3.282 -8.845 92 H ASN 16 H ASN 16 -12.888 0.564 -7.021 93 HA ASN 16 HA ASN 16 -12.750 -2.346 -7.443 94 HB2 ASN 16 1HB ASN 16 -11.051 -2.061 -9.122 95 HB3 ASN 16 2HB ASN 16 -12.424 -1.051 -9.566 96 HD21 ASN 16 1HD2 ASN 16 -9.623 -0.836 -10.329 97 HD22 ASN 16 2HD2 ASN 16 -9.112 0.739 -9.836 98 H PHE 17 H PHE 17 -12.439 -0.976 -4.973 99 HA PHE 17 HA PHE 17 -9.569 -0.905 -4.473 100 HB2 PHE 17 1HB PHE 17 -10.721 0.876 -3.418 101 HB3 PHE 17 2HB PHE 17 -11.983 -0.195 -2.815 102 HD1 PHE 17 1HD PHE 17 -11.196 -2.036 -1.147 103 HD2 PHE 17 2HD PHE 17 -9.012 1.513 -2.015 104 HE1 PHE 17 1HE PHE 17 -9.982 -2.265 0.982 105 HE2 PHE 17 2HE PHE 17 -7.795 1.288 0.112 106 HZ PHE 17 HZ PHE 17 -8.280 -0.603 1.612 107 H ASP 18 H ASP 18 -12.416 -2.794 -3.626 108 HA ASP 18 HA ASP 18 -10.868 -4.578 -1.936 109 HB2 ASP 18 1HB ASP 18 -13.008 -4.248 -1.060 110 HB3 ASP 18 2HB ASP 18 -13.775 -4.336 -2.644 111 H ASP 19 H ASP 19 -12.466 -4.608 -5.079 112 HA ASP 19 HA ASP 19 -12.225 -7.310 -5.696 113 HB2 ASP 19 1HB ASP 19 -12.397 -4.806 -7.316 114 HB3 ASP 19 2HB ASP 19 -11.986 -6.310 -8.135 115 H THR 20 H THR 20 -9.890 -4.686 -6.038 116 HA THR 20 HA THR 20 -7.935 -6.120 -7.472 117 HB THR 20 HB THR 20 -7.576 -3.791 -5.576 118 HG1 THR 20 1HG THR 20 -8.850 -3.169 -7.292 119 HG21 THR 20 1HG2 THR 20 -5.396 -4.353 -5.798 120 HG22 THR 20 2HG2 THR 20 -5.565 -3.582 -7.374 121 HG23 THR 20 3HG2 THR 20 -5.688 -5.336 -7.233 122 H ILE 21 H ILE 21 -7.899 -5.234 -4.013 123 HA ILE 21 HA ILE 21 -5.745 -6.770 -3.237 124 HB ILE 21 HB ILE 21 -6.720 -6.779 -0.964 125 HG12 ILE 21 1HG1 ILE 21 -9.113 -5.550 -2.350 126 HG13 ILE 21 2HG1 ILE 21 -9.066 -7.118 -1.551 127 HG21 ILE 21 1HG2 ILE 21 -5.743 -4.684 -2.355 128 HG22 ILE 21 2HG2 ILE 21 -7.308 -4.039 -1.862 129 HG23 ILE 21 3HG2 ILE 21 -6.170 -4.617 -0.645 130 HD11 ILE 21 1HD1 ILE 21 -8.768 -4.427 -0.239 131 HD12 ILE 21 2HD1 ILE 21 -10.161 -5.507 -0.142 132 HD13 ILE 21 3HD1 ILE 21 -8.625 -5.980 0.585 133 H ALA 22 H ALA 22 -9.117 -7.731 -3.616 134 HA ALA 22 HA ALA 22 -9.130 -10.205 -2.417 135 HB1 ALA 22 1HB ALA 22 -10.565 -9.095 -4.789 136 HB2 ALA 22 2HB ALA 22 -10.758 -10.796 -4.365 137 HB3 ALA 22 3HB ALA 22 -11.193 -9.545 -3.203 138 H GLU 23 H GLU 23 -7.465 -9.221 -5.278 139 HA GLU 23 HA GLU 23 -6.841 -12.014 -5.946 140 HB2 GLU 23 1HB GLU 23 -6.528 -9.472 -7.548 141 HB3 GLU 23 2HB GLU 23 -5.946 -11.044 -8.078 142 HG2 GLU 23 1HG GLU 23 -8.327 -11.858 -7.834 143 HG3 GLU 23 2HG GLU 23 -8.783 -10.165 -7.659 144 H GLY 24 H GLY 24 -4.953 -12.813 -5.316 145 HA2 GLY 24 1HA GLY 24 -2.840 -12.905 -4.404 146 HA3 GLY 24 2HA GLY 24 -2.455 -11.755 -5.676 147 H ILE 25 H ILE 25 -0.852 -11.085 -4.004 148 HA ILE 25 HA ILE 25 -1.869 -9.650 -1.714 149 HB ILE 25 HB ILE 25 0.943 -9.776 -2.812 150 HG12 ILE 25 1HG1 ILE 25 -0.226 -11.268 -0.460 151 HG13 ILE 25 2HG1 ILE 25 -0.086 -11.963 -2.071 152 HG21 ILE 25 1HG2 ILE 25 1.323 -8.097 -1.397 153 HG22 ILE 25 2HG2 ILE 25 -0.272 -8.254 -0.662 154 HG23 ILE 25 3HG2 ILE 25 1.060 -9.264 -0.102 155 HD11 ILE 25 1HD1 ILE 25 2.186 -11.003 -0.346 156 HD12 ILE 25 2HD1 ILE 25 1.741 -12.681 -0.662 157 HD13 ILE 25 3HD1 ILE 25 2.340 -11.666 -1.973 158 H THR 26 H THR 26 -2.243 -7.524 -1.548 159 HA THR 26 HA THR 26 -1.286 -5.747 -3.685 160 HB THR 26 HB THR 26 -4.106 -5.820 -2.594 161 HG1 THR 26 1HG THR 26 -3.831 -7.324 -4.231 162 HG21 THR 26 1HG2 THR 26 -4.580 -3.918 -3.990 163 HG22 THR 26 2HG2 THR 26 -2.934 -3.919 -4.624 164 HG23 THR 26 3HG2 THR 26 -3.228 -3.512 -2.934 165 H PHE 27 H PHE 27 -0.022 -4.289 -2.750 166 HA PHE 27 HA PHE 27 -0.461 -3.530 0.027 167 HB2 PHE 27 1HB PHE 27 1.828 -4.082 -1.099 168 HB3 PHE 27 2HB PHE 27 1.735 -2.428 -1.696 169 HD1 PHE 27 1HD PHE 27 0.740 -3.878 1.585 170 HD2 PHE 27 2HD PHE 27 3.308 -1.216 -0.521 171 HE1 PHE 27 1HE PHE 27 1.641 -3.061 3.724 172 HE2 PHE 27 2HE PHE 27 4.213 -0.395 1.614 173 HZ PHE 27 HZ PHE 27 3.381 -1.318 3.740 174 H ILE 28 H ILE 28 -1.867 -1.952 0.401 175 HA ILE 28 HA ILE 28 -2.079 0.254 -1.529 176 HB ILE 28 HB ILE 28 -4.000 -0.466 0.686 177 HG12 ILE 28 1HG1 ILE 28 -4.279 -0.969 -2.283 178 HG13 ILE 28 2HG1 ILE 28 -3.810 -2.199 -1.115 179 HG21 ILE 28 1HG2 ILE 28 -5.519 1.073 -0.391 180 HG22 ILE 28 2HG2 ILE 28 -4.010 1.901 -0.009 181 HG23 ILE 28 3HG2 ILE 28 -4.340 1.391 -1.664 182 HD11 ILE 28 1HD1 ILE 28 -6.407 -1.385 -1.884 183 HD12 ILE 28 2HD1 ILE 28 -5.938 -2.634 -0.730 184 HD13 ILE 28 3HD1 ILE 28 -6.187 -0.977 -0.183 185 H LYS 29 H LYS 29 -2.119 2.417 -0.804 186 HA LYS 29 HA LYS 29 -1.040 2.844 1.903 187 HB2 LYS 29 1HB LYS 29 0.826 3.177 0.493 188 HB3 LYS 29 2HB LYS 29 -0.131 4.029 -0.711 189 HG2 LYS 29 1HG LYS 29 -0.492 5.762 1.193 190 HG3 LYS 29 2HG LYS 29 0.941 5.007 1.895 191 HD2 LYS 29 1HD LYS 29 1.515 6.960 0.523 192 HD3 LYS 29 2HD LYS 29 2.202 5.473 -0.133 193 HE2 LYS 29 1HE LYS 29 0.679 5.407 -1.897 194 HE3 LYS 29 2HE LYS 29 -0.443 6.504 -1.093 195 HZ1 LYS 29 1HZ LYS 29 0.796 8.332 -1.660 196 HZ2 LYS 29 2HZ LYS 29 1.044 7.356 -3.019 197 HZ3 LYS 29 3HZ LYS 29 2.238 7.463 -1.825 198 H PHE 30 H PHE 30 -2.000 4.398 3.081 199 HA PHE 30 HA PHE 30 -4.036 6.048 1.735 200 HB2 PHE 30 1HB PHE 30 -3.990 5.189 4.635 201 HB3 PHE 30 2HB PHE 30 -5.284 6.059 3.816 202 HD1 PHE 30 1HD PHE 30 -3.620 2.823 4.221 203 HD2 PHE 30 2HD PHE 30 -6.821 4.923 2.360 204 HE1 PHE 30 1HE PHE 30 -4.676 0.681 3.627 205 HE2 PHE 30 2HE PHE 30 -7.883 2.786 1.765 206 HZ PHE 30 HZ PHE 30 -6.811 0.660 2.398 207 H TYR 31 H TYR 31 -2.898 7.887 1.312 208 HA TYR 31 HA TYR 31 -1.599 9.218 3.595 209 HB2 TYR 31 1HB TYR 31 -0.115 10.271 2.113 210 HB3 TYR 31 2HB TYR 31 -0.255 8.636 1.476 211 HD1 TYR 31 2HD TYR 31 -1.087 12.161 0.924 212 HD2 TYR 31 1HD TYR 31 -1.378 8.211 -0.630 213 HE1 TYR 31 2HE TYR 31 -1.746 13.076 -1.261 214 HE2 TYR 31 1HE TYR 31 -2.036 9.116 -2.821 215 HH TYR 31 HH TYR 31 -1.576 11.548 -4.020 216 H ALA 32 H ALA 32 -1.554 11.732 3.152 217 HA ALA 32 HA ALA 32 -4.211 12.611 2.255 218 HB1 ALA 32 1HB ALA 32 -4.631 12.613 4.516 219 HB2 ALA 32 2HB ALA 32 -2.966 13.015 4.936 220 HB3 ALA 32 3HB ALA 32 -4.033 14.254 4.278 221 HA PRO 33 HA PRO 33 -1.820 15.632 0.090 222 HB2 PRO 33 1HB PRO 33 -3.861 17.284 -0.600 223 HB3 PRO 33 2HB PRO 33 -3.577 15.728 -1.387 224 HG2 PRO 33 1HG PRO 33 -5.526 16.429 0.774 225 HG3 PRO 33 2HG PRO 33 -5.768 15.424 -0.667 226 HD2 PRO 33 1HD PRO 33 -5.330 14.370 1.789 227 HD3 PRO 33 2HD PRO 33 -4.773 13.582 0.299 228 H TRP 34 H TRP 34 -3.929 16.416 2.763 229 HA TRP 34 HA TRP 34 -2.999 19.129 3.015 230 HB2 TRP 34 1HB TRP 34 -4.261 19.024 5.208 231 HB3 TRP 34 2HB TRP 34 -5.222 18.714 3.766 232 HD1 TRP 34 HD TRP 34 -6.454 16.426 3.614 233 HE1 TRP 34 1HE TRP 34 -6.642 14.382 5.167 234 HE3 TRP 34 3HE TRP 34 -2.801 17.627 6.982 235 HZ2 TRP 34 2HZ TRP 34 -5.406 13.408 7.510 236 HZ3 TRP 34 3HZ TRP 34 -2.367 16.085 8.852 237 HH2 TRP 34 HH TRP 34 -3.644 14.020 9.108 238 H CYS 35 H CYS 35 -1.891 16.056 3.993 239 HA CYS 35 HA CYS 35 -0.376 17.028 6.264 240 HB2 CYS 35 1HB CYS 35 -1.409 14.699 6.068 241 HB3 CYS 35 2HB CYS 35 -0.104 14.329 4.947 242 HG CYS 35 HG CYS 35 1.432 13.491 6.815 243 H GLY 36 H GLY 36 1.883 17.136 6.387 244 HA2 GLY 36 1HA GLY 36 3.155 17.744 3.835 245 HA3 GLY 36 2HA GLY 36 3.795 18.109 5.431 246 H HIS 37 H HIS 37 4.085 15.884 6.736 247 HA HIS 37 HA HIS 37 6.330 14.651 5.785 248 HB2 HIS 37 1HB HIS 37 4.210 13.384 7.531 249 HB3 HIS 37 2HB HIS 37 5.874 12.831 7.377 250 HD1 HIS 37 1HD HIS 37 4.688 13.688 10.103 251 HD2 HIS 37 2HD HIS 37 6.870 16.178 7.594 252 HE1 HIS 37 1HE HIS 37 5.624 15.487 11.590 253 HE2 HIS 37 2HE HIS 37 6.870 17.030 10.036 254 H CYS 38 H CYS 38 2.999 13.907 5.027 255 HA CYS 38 HA CYS 38 3.414 11.381 3.844 256 HB2 CYS 38 1HB CYS 38 1.266 13.463 3.433 257 HB3 CYS 38 2HB CYS 38 1.227 11.877 2.673 258 HG CYS 38 HG CYS 38 -0.467 11.431 4.675 259 H LYS 39 H LYS 39 3.665 14.657 2.619 260 HA LYS 39 HA LYS 39 3.724 14.150 -0.119 261 HB2 LYS 39 1HB LYS 39 5.246 16.247 1.439 262 HB3 LYS 39 2HB LYS 39 4.997 16.262 -0.302 263 HG2 LYS 39 1HG LYS 39 2.468 16.143 0.371 264 HG3 LYS 39 2HG LYS 39 3.065 16.796 1.898 265 HD2 LYS 39 1HD LYS 39 4.233 18.575 0.519 266 HD3 LYS 39 2HD LYS 39 3.282 18.001 -0.853 267 HE2 LYS 39 1HE LYS 39 1.907 19.658 -0.095 268 HE3 LYS 39 2HE LYS 39 1.290 18.307 0.854 269 HZ1 LYS 39 1HZ LYS 39 2.049 20.646 1.895 270 HZ2 LYS 39 2HZ LYS 39 3.483 19.762 2.062 271 HZ3 LYS 39 3HZ LYS 39 2.051 19.189 2.755 272 H THR 40 H THR 40 6.192 13.743 2.324 273 HA THR 40 HA THR 40 8.402 13.450 0.577 274 HB THR 40 HB THR 40 8.027 12.331 3.361 275 HG1 THR 40 1HG THR 40 9.470 14.659 2.615 276 HG21 THR 40 1HG2 THR 40 10.590 12.858 1.857 277 HG22 THR 40 2HG2 THR 40 9.847 11.267 2.021 278 HG23 THR 40 3HG2 THR 40 10.419 12.125 3.451 279 H LEU 41 H LEU 41 5.877 11.302 1.606 280 HA LEU 41 HA LEU 41 7.269 8.936 0.653 281 HB2 LEU 41 1HB LEU 41 5.760 9.002 2.689 282 HB3 LEU 41 2HB LEU 41 4.410 9.126 1.564 283 HG LEU 41 HG LEU 41 5.209 6.935 0.572 284 HD11 LEU 41 1HD1 LEU 41 6.815 6.849 3.122 285 HD12 LEU 41 2HD1 LEU 41 7.478 6.998 1.494 286 HD13 LEU 41 3HD1 LEU 41 6.616 5.532 1.965 287 HD21 LEU 41 1HD2 LEU 41 3.935 7.379 3.197 288 HD22 LEU 41 2HD2 LEU 41 4.454 5.730 2.850 289 HD23 LEU 41 3HD2 LEU 41 3.328 6.549 1.764 290 H ALA 42 H ALA 42 4.963 11.249 -0.465 291 HA ALA 42 HA ALA 42 3.418 10.063 -2.311 292 HB1 ALA 42 1HB ALA 42 3.043 12.171 -2.884 293 HB2 ALA 42 2HB ALA 42 4.455 12.664 -1.948 294 HB3 ALA 42 3HB ALA 42 4.627 12.266 -3.657 295 HA PRO 43 HA PRO 43 6.916 9.822 -5.628 296 HB2 PRO 43 1HB PRO 43 9.450 10.375 -4.824 297 HB3 PRO 43 2HB PRO 43 8.345 11.612 -5.435 298 HG2 PRO 43 1HG PRO 43 9.037 10.920 -2.605 299 HG3 PRO 43 2HG PRO 43 8.857 12.517 -3.355 300 HD2 PRO 43 1HD PRO 43 6.914 11.392 -1.842 301 HD3 PRO 43 2HD PRO 43 6.558 12.466 -3.209 302 H THR 44 H THR 44 8.336 9.120 -2.430 303 HA THR 44 HA THR 44 9.827 6.904 -3.030 304 HB THR 44 HB THR 44 8.169 7.335 -0.537 305 HG1 THR 44 1HG THR 44 9.999 8.333 0.242 306 HG21 THR 44 1HG2 THR 44 10.298 5.346 -1.237 307 HG22 THR 44 2HG2 THR 44 8.766 5.092 -0.401 308 HG23 THR 44 3HG2 THR 44 10.101 5.893 0.428 309 H TRP 45 H TRP 45 6.345 7.076 -2.493 310 HA TRP 45 HA TRP 45 5.813 4.325 -2.418 311 HB2 TRP 45 1HB TRP 45 4.242 6.265 -1.860 312 HB3 TRP 45 2HB TRP 45 3.941 6.376 -3.592 313 HD1 TRP 45 HD TRP 45 1.880 5.080 -4.348 314 HE1 TRP 45 1HE TRP 45 0.562 3.037 -3.502 315 HE3 TRP 45 3HE TRP 45 4.796 3.837 -0.337 316 HZ2 TRP 45 2HZ TRP 45 0.735 1.150 -1.410 317 HZ3 TRP 45 3HZ TRP 45 4.150 1.900 1.036 318 HH2 TRP 45 HH TRP 45 2.161 0.586 0.509 319 H GLU 46 H GLU 46 6.001 6.588 -5.133 320 HA GLU 46 HA GLU 46 5.124 4.864 -7.152 321 HB2 GLU 46 1HB GLU 46 7.019 7.209 -7.208 322 HB3 GLU 46 2HB GLU 46 6.523 6.358 -8.663 323 HG2 GLU 46 1HG GLU 46 4.291 7.033 -8.435 324 HG3 GLU 46 2HG GLU 46 4.525 7.527 -6.759 325 H GLU 47 H GLU 47 8.408 5.499 -5.954 326 HA GLU 47 HA GLU 47 9.844 3.921 -7.713 327 HB2 GLU 47 1HB GLU 47 10.266 4.771 -4.881 328 HB3 GLU 47 2HB GLU 47 11.347 3.567 -5.569 329 HG2 GLU 47 1HG GLU 47 10.845 6.083 -7.075 330 HG3 GLU 47 2HG GLU 47 11.922 6.114 -5.680 331 H LEU 48 H LEU 48 8.225 2.979 -4.706 332 HA LEU 48 HA LEU 48 9.083 0.337 -4.560 333 HB2 LEU 48 1HB LEU 48 7.756 1.656 -2.858 334 HB3 LEU 48 2HB LEU 48 6.324 1.277 -3.815 335 HG LEU 48 HG LEU 48 6.729 -1.125 -3.416 336 HD11 LEU 48 1HD1 LEU 48 8.491 -0.877 -1.174 337 HD12 LEU 48 2HD1 LEU 48 9.269 -0.229 -2.618 338 HD13 LEU 48 3HD1 LEU 48 8.651 -1.881 -2.616 339 HD21 LEU 48 1HD2 LEU 48 5.200 0.082 -1.975 340 HD22 LEU 48 2HD2 LEU 48 6.535 0.595 -0.944 341 HD23 LEU 48 3HD2 LEU 48 6.097 -1.112 -1.037 342 H SER 49 H SER 49 6.244 1.688 -6.214 343 HA SER 49 HA SER 49 5.055 -0.626 -7.112 344 HB2 SER 49 1HB SER 49 3.939 0.690 -8.726 345 HB3 SER 49 2HB SER 49 4.294 1.811 -7.412 346 HG SER 49 HG SER 49 5.311 2.947 -8.843 347 H LYS 50 H LYS 50 7.918 0.984 -8.327 348 HA LYS 50 HA LYS 50 8.112 -0.570 -10.723 349 HB2 LYS 50 1HB LYS 50 10.145 1.131 -9.272 350 HB3 LYS 50 2HB LYS 50 10.414 0.391 -10.844 351 HG2 LYS 50 1HG LYS 50 8.827 1.760 -11.887 352 HG3 LYS 50 2HG LYS 50 8.114 2.249 -10.349 353 HD2 LYS 50 1HD LYS 50 10.480 3.223 -9.869 354 HD3 LYS 50 2HD LYS 50 10.671 3.137 -11.622 355 HE2 LYS 50 1HE LYS 50 8.258 4.428 -10.408 356 HE3 LYS 50 2HE LYS 50 9.773 5.317 -10.555 357 HZ1 LYS 50 1HZ LYS 50 7.901 5.193 -12.465 358 HZ2 LYS 50 2HZ LYS 50 8.932 3.945 -12.957 359 HZ3 LYS 50 3HZ LYS 50 9.537 5.513 -12.760 360 H LYS 51 H LYS 51 9.511 -0.751 -7.491 361 HA LYS 51 HA LYS 51 11.469 -2.628 -7.781 362 HB2 LYS 51 1HB LYS 51 9.426 -2.388 -5.568 363 HB3 LYS 51 2HB LYS 51 10.854 -3.409 -5.472 364 HG2 LYS 51 1HG LYS 51 11.086 -0.480 -6.050 365 HG3 LYS 51 2HG LYS 51 10.936 -1.084 -4.398 366 HD2 LYS 51 1HD LYS 51 13.004 -2.165 -6.288 367 HD3 LYS 51 2HD LYS 51 13.297 -0.711 -5.330 368 HE2 LYS 51 1HE LYS 51 13.089 -1.895 -3.297 369 HE3 LYS 51 2HE LYS 51 12.395 -3.302 -4.099 370 HZ1 LYS 51 1HZ LYS 51 14.961 -3.103 -3.411 371 HZ2 LYS 51 2HZ LYS 51 15.041 -2.530 -5.000 372 HZ3 LYS 51 3HZ LYS 51 14.408 -4.067 -4.686 373 H GLU 52 H GLU 52 11.346 -4.983 -7.028 374 HA GLU 52 HA GLU 52 8.935 -6.323 -8.016 375 HB2 GLU 52 1HB GLU 52 11.654 -7.328 -8.806 376 HB3 GLU 52 2HB GLU 52 10.088 -7.738 -9.492 377 HG2 GLU 52 1HG GLU 52 9.934 -5.696 -10.639 378 HG3 GLU 52 2HG GLU 52 11.241 -4.978 -9.700 379 H PHE 53 H PHE 53 8.337 -8.037 -6.828 380 HA PHE 53 HA PHE 53 10.098 -8.818 -4.617 381 HB2 PHE 53 1HB PHE 53 7.182 -9.527 -4.911 382 HB3 PHE 53 2HB PHE 53 8.159 -9.532 -3.446 383 HD1 PHE 53 1HD PHE 53 6.699 -7.297 -6.018 384 HD2 PHE 53 2HD PHE 53 8.255 -7.651 -2.073 385 HE1 PHE 53 1HE PHE 53 5.955 -5.005 -5.522 386 HE2 PHE 53 2HE PHE 53 7.512 -5.361 -1.570 387 HZ PHE 53 HZ PHE 53 6.359 -4.034 -3.295 388 HA PRO 54 HA PRO 54 10.743 -12.481 -7.199 389 HB2 PRO 54 1HB PRO 54 12.961 -13.292 -5.858 390 HB3 PRO 54 2HB PRO 54 12.996 -12.037 -7.104 391 HG2 PRO 54 1HG PRO 54 12.946 -11.747 -4.124 392 HG3 PRO 54 2HG PRO 54 13.912 -10.862 -5.319 393 HD2 PRO 54 1HD PRO 54 11.667 -9.832 -4.210 394 HD3 PRO 54 2HD PRO 54 12.173 -9.453 -5.870 395 H GLY 55 H GLY 55 10.446 -14.688 -6.828 396 HA2 GLY 55 1HA GLY 55 9.432 -16.474 -5.792 397 HA3 GLY 55 2HA GLY 55 10.514 -16.081 -4.465 398 H LEU 56 H LEU 56 8.205 -13.705 -5.407 399 HA LEU 56 HA LEU 56 6.531 -14.421 -3.091 400 HB2 LEU 56 1HB LEU 56 7.623 -11.784 -3.973 401 HB3 LEU 56 2HB LEU 56 6.100 -11.849 -3.090 402 HG LEU 56 HG LEU 56 8.851 -12.586 -2.139 403 HD11 LEU 56 1HD1 LEU 56 6.822 -10.514 -1.539 404 HD12 LEU 56 2HD1 LEU 56 8.581 -10.405 -1.576 405 HD13 LEU 56 3HD1 LEU 56 7.772 -11.137 -0.190 406 HD21 LEU 56 1HD2 LEU 56 7.673 -14.408 -1.314 407 HD22 LEU 56 2HD2 LEU 56 6.190 -13.479 -1.095 408 HD23 LEU 56 3HD2 LEU 56 7.554 -13.236 -0.001 409 H ALA 57 H ALA 57 4.299 -13.786 -3.211 410 HA ALA 57 HA ALA 57 3.110 -14.349 -5.707 411 HB1 ALA 57 1HB ALA 57 0.993 -13.867 -4.611 412 HB2 ALA 57 2HB ALA 57 2.025 -14.843 -3.567 413 HB3 ALA 57 3HB ALA 57 1.846 -13.116 -3.262 414 H GLY 58 H GLY 58 1.622 -12.962 -6.909 415 HA2 GLY 58 1HA GLY 58 2.772 -10.656 -7.882 416 HA3 GLY 58 2HA GLY 58 1.058 -11.024 -8.008 417 H VAL 59 H VAL 59 3.467 -9.139 -6.433 418 HA VAL 59 HA VAL 59 1.552 -8.030 -4.524 419 HB VAL 59 HB VAL 59 4.488 -7.406 -4.884 420 HG11 VAL 59 1HG1 VAL 59 4.383 -6.036 -3.039 421 HG12 VAL 59 2HG1 VAL 59 2.822 -5.708 -3.792 422 HG13 VAL 59 3HG1 VAL 59 2.925 -6.807 -2.415 423 HG21 VAL 59 1HG2 VAL 59 4.834 -9.364 -3.881 424 HG22 VAL 59 2HG2 VAL 59 4.096 -8.667 -2.439 425 HG23 VAL 59 3HG2 VAL 59 3.112 -9.589 -3.576 426 H LYS 60 H LYS 60 0.333 -6.375 -5.118 427 HA LYS 60 HA LYS 60 1.253 -4.611 -7.272 428 HB2 LYS 60 1HB LYS 60 -1.484 -5.070 -6.077 429 HB3 LYS 60 2HB LYS 60 -1.142 -3.835 -7.282 430 HG2 LYS 60 1HG LYS 60 -0.818 -5.371 -8.964 431 HG3 LYS 60 2HG LYS 60 -0.415 -6.673 -7.842 432 HD2 LYS 60 1HD LYS 60 -3.154 -5.492 -7.777 433 HD3 LYS 60 2HD LYS 60 -2.737 -6.625 -9.065 434 HE2 LYS 60 1HE LYS 60 -2.197 -7.276 -6.189 435 HE3 LYS 60 2HE LYS 60 -3.788 -7.545 -6.897 436 HZ1 LYS 60 1HZ LYS 60 -2.994 -9.171 -8.288 437 HZ2 LYS 60 2HZ LYS 60 -2.037 -9.431 -6.918 438 HZ3 LYS 60 3HZ LYS 60 -1.401 -8.603 -8.250 439 H ILE 61 H ILE 61 1.075 -2.326 -7.070 440 HA ILE 61 HA ILE 61 1.083 -1.379 -4.278 441 HB ILE 61 HB ILE 61 2.733 -0.339 -6.585 442 HG12 ILE 61 1HG1 ILE 61 3.622 -2.420 -5.709 443 HG13 ILE 61 2HG1 ILE 61 4.648 -1.087 -5.189 444 HG21 ILE 61 1HG2 ILE 61 2.860 1.579 -5.477 445 HG22 ILE 61 2HG2 ILE 61 1.862 0.933 -4.176 446 HG23 ILE 61 3HG2 ILE 61 3.611 0.721 -4.132 447 HD11 ILE 61 1HD1 ILE 61 4.489 -2.013 -3.171 448 HD12 ILE 61 2HD1 ILE 61 2.878 -1.296 -3.121 449 HD13 ILE 61 3HD1 ILE 61 3.081 -2.975 -3.620 450 H ALA 62 H ALA 62 -0.737 -0.288 -3.929 451 HA ALA 62 HA ALA 62 -1.627 1.627 -5.984 452 HB1 ALA 62 1HB ALA 62 -3.950 1.225 -4.954 453 HB2 ALA 62 2HB ALA 62 -3.291 0.000 -6.040 454 HB3 ALA 62 3HB ALA 62 -3.240 -0.248 -4.293 455 H GLU 63 H GLU 63 -3.233 3.263 -4.915 456 HA GLU 63 HA GLU 63 -2.395 3.990 -2.212 457 HB2 GLU 63 1HB GLU 63 -1.483 6.025 -2.731 458 HB3 GLU 63 2HB GLU 63 -1.018 5.124 -4.167 459 HG2 GLU 63 1HG GLU 63 -2.855 6.060 -5.407 460 HG3 GLU 63 2HG GLU 63 -3.461 6.870 -3.963 461 H VAL 64 H VAL 64 -3.691 5.915 -1.414 462 HA VAL 64 HA VAL 64 -6.213 6.425 -2.701 463 HB VAL 64 HB VAL 64 -6.147 4.803 -0.155 464 HG11 VAL 64 1HG1 VAL 64 -8.571 5.027 -0.107 465 HG12 VAL 64 2HG1 VAL 64 -7.797 6.608 0.005 466 HG13 VAL 64 3HG1 VAL 64 -8.515 6.083 -1.517 467 HG21 VAL 64 1HG2 VAL 64 -7.605 3.278 -1.500 468 HG22 VAL 64 2HG2 VAL 64 -7.239 4.268 -2.912 469 HG23 VAL 64 3HG2 VAL 64 -5.945 3.405 -2.080 470 H ASP 65 H ASP 65 -6.790 8.442 -2.239 471 HA ASP 65 HA ASP 65 -5.369 9.929 -0.228 472 HB2 ASP 65 1HB ASP 65 -7.597 10.727 -2.112 473 HB3 ASP 65 2HB ASP 65 -6.749 11.843 -1.044 474 H CYS 66 H CYS 66 -6.058 10.563 1.736 475 HA CYS 66 HA CYS 66 -8.438 9.334 2.800 476 HB2 CYS 66 1HB CYS 66 -6.172 10.929 3.940 477 HB3 CYS 66 2HB CYS 66 -7.644 10.722 4.884 478 H THR 67 H THR 67 -8.337 11.742 0.824 479 HA THR 67 HA THR 67 -10.262 13.409 2.312 480 HB THR 67 HB THR 67 -9.624 15.301 0.882 481 HG1 THR 67 1HG THR 67 -7.948 15.099 -0.581 482 HG21 THR 67 1HG2 THR 67 -7.090 15.321 1.666 483 HG22 THR 67 2HG2 THR 67 -7.623 13.919 2.596 484 HG23 THR 67 3HG2 THR 67 -8.416 15.478 2.817 485 H ALA 68 H ALA 68 -9.346 12.408 -0.986 486 HA ALA 68 HA ALA 68 -11.964 12.994 -2.024 487 HB1 ALA 68 1HB ALA 68 -10.759 11.487 -3.952 488 HB2 ALA 68 2HB ALA 68 -10.607 13.237 -3.789 489 HB3 ALA 68 3HB ALA 68 -9.373 12.177 -3.108 490 H GLU 69 H GLU 69 -10.406 10.278 -0.591 491 HA GLU 69 HA GLU 69 -12.779 8.640 -1.175 492 HB2 GLU 69 1HB GLU 69 -9.884 7.805 -1.288 493 HB3 GLU 69 2HB GLU 69 -11.197 6.645 -1.142 494 HG2 GLU 69 1HG GLU 69 -12.012 7.103 -3.264 495 HG3 GLU 69 2HG GLU 69 -11.184 8.656 -3.352 496 H ARG 70 H ARG 70 -11.777 10.319 1.140 497 HA ARG 70 HA ARG 70 -10.835 9.073 3.310 498 HB2 ARG 70 1HB ARG 70 -12.560 10.341 4.673 499 HB3 ARG 70 2HB ARG 70 -11.593 11.301 3.562 500 HG2 ARG 70 1HG ARG 70 -13.588 10.913 1.932 501 HG3 ARG 70 2HG ARG 70 -14.478 10.572 3.418 502 HD2 ARG 70 1HD ARG 70 -13.913 12.742 4.304 503 HD3 ARG 70 2HD ARG 70 -12.879 13.078 2.916 504 HE ARG 70 HE ARG 70 -15.242 12.659 1.739 505 HH11 ARG 70 2HH1 ARG 70 -14.348 14.597 4.489 506 HH12 ARG 70 1HH1 ARG 70 -15.594 15.773 4.229 507 HH21 ARG 70 2HH2 ARG 70 -16.886 14.200 1.387 508 HH22 ARG 70 1HH2 ARG 70 -17.037 15.546 2.465 509 H ASN 71 H ASN 71 -14.111 8.628 2.038 510 HA ASN 71 HA ASN 71 -15.424 7.189 3.850 511 HB2 ASN 71 1HB ASN 71 -15.157 6.813 0.899 512 HB3 ASN 71 2HB ASN 71 -16.040 5.597 1.818 513 HD21 ASN 71 1HD2 ASN 71 -18.129 5.924 1.911 514 HD22 ASN 71 2HD2 ASN 71 -18.930 7.454 1.863 515 H ILE 72 H ILE 72 -12.792 5.875 1.870 516 HA ILE 72 HA ILE 72 -12.906 3.285 3.089 517 HB ILE 72 HB ILE 72 -10.769 4.557 1.377 518 HG12 ILE 72 1HG1 ILE 72 -12.881 2.498 0.698 519 HG13 ILE 72 2HG1 ILE 72 -12.970 4.206 0.281 520 HG21 ILE 72 1HG2 ILE 72 -9.689 2.868 2.625 521 HG22 ILE 72 2HG2 ILE 72 -11.052 1.764 2.451 522 HG23 ILE 72 3HG2 ILE 72 -10.048 2.153 1.054 523 HD11 ILE 72 1HD1 ILE 72 -11.087 2.124 -0.769 524 HD12 ILE 72 2HD1 ILE 72 -12.236 3.126 -1.657 525 HD13 ILE 72 3HD1 ILE 72 -10.786 3.851 -0.964 526 H CYS 73 H CYS 73 -10.753 6.094 3.372 527 HA CYS 73 HA CYS 73 -8.902 5.044 5.154 528 HB2 CYS 73 1HB CYS 73 -9.863 7.783 4.497 529 HB3 CYS 73 2HB CYS 73 -8.915 7.589 5.968 530 H SER 74 H SER 74 -11.776 6.999 5.959 531 HA SER 74 HA SER 74 -11.634 6.892 8.700 532 HB2 SER 74 1HB SER 74 -13.898 7.109 6.766 533 HB3 SER 74 2HB SER 74 -14.279 6.843 8.467 534 HG SER 74 HG SER 74 -13.090 8.713 8.962 535 H LYS 75 H LYS 75 -12.816 4.436 6.480 536 HA LYS 75 HA LYS 75 -13.968 2.721 8.406 537 HB2 LYS 75 1HB LYS 75 -14.521 2.458 6.076 538 HB3 LYS 75 2HB LYS 75 -12.838 2.167 5.660 539 HG2 LYS 75 1HG LYS 75 -14.125 0.339 7.613 540 HG3 LYS 75 2HG LYS 75 -14.574 0.198 5.911 541 HD2 LYS 75 1HD LYS 75 -12.412 -0.371 5.262 542 HD3 LYS 75 2HD LYS 75 -11.693 0.295 6.730 543 HE2 LYS 75 1HE LYS 75 -13.506 -2.110 6.701 544 HE3 LYS 75 2HE LYS 75 -11.748 -2.215 6.599 545 HZ1 LYS 75 1HZ LYS 75 -11.694 -0.938 8.734 546 HZ2 LYS 75 2HZ LYS 75 -12.330 -2.501 8.855 547 HZ3 LYS 75 3HZ LYS 75 -13.367 -1.164 8.849 548 H TYR 76 H TYR 76 -10.697 3.111 7.206 549 HA TYR 76 HA TYR 76 -9.774 0.793 8.718 550 HB2 TYR 76 1HB TYR 76 -8.472 2.633 6.725 551 HB3 TYR 76 2HB TYR 76 -7.517 1.533 7.712 552 HD1 TYR 76 1HD TYR 76 -7.897 -0.937 7.505 553 HD2 TYR 76 2HD TYR 76 -9.661 1.860 4.828 554 HE1 TYR 76 1HE TYR 76 -8.320 -2.750 5.900 555 HE2 TYR 76 2HE TYR 76 -10.091 0.053 3.215 556 HH TYR 76 HH TYR 76 -10.306 -2.892 3.765 557 H SER 77 H SER 77 -10.793 3.306 9.973 558 HA SER 77 HA SER 77 -10.164 4.917 11.503 559 HB2 SER 77 1HB SER 77 -9.123 3.876 13.497 560 HB3 SER 77 2HB SER 77 -10.440 2.899 12.849 561 HG SER 77 HG SER 77 -7.743 2.356 13.005 562 H VAL 78 H VAL 78 -8.616 5.379 9.359 563 HA VAL 78 HA VAL 78 -5.814 5.354 10.075 564 HB VAL 78 HB VAL 78 -7.282 6.519 7.710 565 HG11 VAL 78 1HG1 VAL 78 -4.711 7.214 8.715 566 HG12 VAL 78 2HG1 VAL 78 -4.506 6.327 7.203 567 HG13 VAL 78 3HG1 VAL 78 -5.513 7.775 7.249 568 HG21 VAL 78 1HG2 VAL 78 -7.246 4.187 7.503 569 HG22 VAL 78 2HG2 VAL 78 -5.871 4.730 6.543 570 HG23 VAL 78 3HG2 VAL 78 -5.611 4.065 8.155 571 H ARG 79 H ARG 79 -4.951 6.809 11.387 572 HA ARG 79 HA ARG 79 -6.004 9.560 11.327 573 HB2 ARG 79 1HB ARG 79 -5.030 8.018 13.739 574 HB3 ARG 79 2HB ARG 79 -5.473 9.720 13.741 575 HG2 ARG 79 1HG ARG 79 -7.326 7.436 13.095 576 HG3 ARG 79 2HG ARG 79 -7.251 8.296 14.634 577 HD2 ARG 79 1HD ARG 79 -7.771 10.401 13.384 578 HD3 ARG 79 2HD ARG 79 -8.036 9.413 11.948 579 HE ARG 79 HE ARG 79 -10.063 8.778 12.801 580 HH11 ARG 79 2HH1 ARG 79 -8.150 10.201 15.338 581 HH12 ARG 79 1HH1 ARG 79 -9.448 10.220 16.485 582 HH21 ARG 79 2HH2 ARG 79 -11.780 8.797 14.303 583 HH22 ARG 79 1HH2 ARG 79 -11.512 9.420 15.896 584 H GLY 80 H GLY 80 -3.213 7.463 11.835 585 HA2 GLY 80 1HA GLY 80 -1.420 9.778 11.788 586 HA3 GLY 80 2HA GLY 80 -0.966 8.124 12.171 587 H TYR 81 H TYR 81 -1.021 10.522 9.794 588 HA TYR 81 HA TYR 81 -0.540 8.583 7.643 589 HB2 TYR 81 1HB TYR 81 -0.726 11.510 7.105 590 HB3 TYR 81 2HB TYR 81 -1.262 10.152 6.122 591 HD1 TYR 81 2HD TYR 81 -2.070 12.021 9.238 592 HD2 TYR 81 1HD TYR 81 -3.514 9.534 6.101 593 HE1 TYR 81 2HE TYR 81 -4.373 12.359 10.036 594 HE2 TYR 81 1HE TYR 81 -5.819 9.866 6.892 595 HH TYR 81 HH TYR 81 -6.529 11.987 9.647 596 HA PRO 82 HA PRO 82 0.282 8.849 5.501 597 HB2 PRO 82 1HB PRO 82 2.204 7.174 4.569 598 HB3 PRO 82 2HB PRO 82 2.102 8.876 4.100 599 HG2 PRO 82 1HG PRO 82 3.859 7.576 6.146 600 HG3 PRO 82 2HG PRO 82 4.267 8.816 4.946 601 HD2 PRO 82 1HD PRO 82 3.790 9.406 7.546 602 HD3 PRO 82 2HD PRO 82 3.389 10.521 6.224 603 H THR 83 H THR 83 -0.318 6.581 5.032 604 HA THR 83 HA THR 83 0.145 4.762 7.296 605 HB THR 83 HB THR 83 -2.556 5.247 6.025 606 HG1 THR 83 1HG THR 83 -2.674 5.790 8.562 607 HG21 THR 83 1HG2 THR 83 -2.234 2.938 6.773 608 HG22 THR 83 2HG2 THR 83 -3.396 3.781 7.797 609 HG23 THR 83 3HG2 THR 83 -1.747 3.518 8.365 610 H LEU 84 H LEU 84 0.314 2.621 6.787 611 HA LEU 84 HA LEU 84 -0.143 1.845 3.988 612 HB2 LEU 84 1HB LEU 84 2.194 0.806 5.547 613 HB3 LEU 84 2HB LEU 84 1.920 0.765 3.807 614 HG LEU 84 HG LEU 84 2.684 3.163 5.470 615 HD11 LEU 84 1HD1 LEU 84 4.785 2.985 4.600 616 HD12 LEU 84 2HD1 LEU 84 4.235 2.153 3.146 617 HD13 LEU 84 3HD1 LEU 84 4.347 1.278 4.673 618 HD21 LEU 84 1HD2 LEU 84 1.250 3.043 3.009 619 HD22 LEU 84 2HD2 LEU 84 2.861 3.688 2.699 620 HD23 LEU 84 3HD2 LEU 84 1.816 4.459 3.893 621 H LEU 85 H LEU 85 -1.128 -0.075 3.708 622 HA LEU 85 HA LEU 85 -1.235 -1.965 5.940 623 HB2 LEU 85 1HB LEU 85 -3.584 -0.715 4.551 624 HB3 LEU 85 2HB LEU 85 -3.711 -2.277 5.358 625 HG LEU 85 HG LEU 85 -2.909 0.296 6.715 626 HD11 LEU 85 1HD1 LEU 85 -5.556 -1.124 6.541 627 HD12 LEU 85 2HD1 LEU 85 -5.179 0.532 6.068 628 HD13 LEU 85 3HD1 LEU 85 -5.176 0.080 7.773 629 HD21 LEU 85 1HD2 LEU 85 -3.655 -1.234 8.713 630 HD22 LEU 85 2HD2 LEU 85 -2.020 -1.333 8.061 631 HD23 LEU 85 3HD2 LEU 85 -3.228 -2.532 7.598 632 H LEU 86 H LEU 86 -0.978 -4.014 5.307 633 HA LEU 86 HA LEU 86 -0.935 -4.566 2.434 634 HB2 LEU 86 1HB LEU 86 1.046 -5.102 3.825 635 HB3 LEU 86 2HB LEU 86 0.062 -6.256 4.723 636 HG LEU 86 HG LEU 86 -0.304 -7.388 2.432 637 HD11 LEU 86 1HD1 LEU 86 1.836 -7.049 1.028 638 HD12 LEU 86 2HD1 LEU 86 1.939 -5.493 1.851 639 HD13 LEU 86 3HD1 LEU 86 0.522 -5.882 0.875 640 HD21 LEU 86 1HD2 LEU 86 1.660 -8.740 2.741 641 HD22 LEU 86 2HD2 LEU 86 1.028 -8.283 4.323 642 HD23 LEU 86 3HD2 LEU 86 2.446 -7.462 3.668 643 H PHE 87 H PHE 87 -2.009 -6.343 1.525 644 HA PHE 87 HA PHE 87 -3.965 -7.729 3.204 645 HB2 PHE 87 1HB PHE 87 -4.707 -6.404 0.588 646 HB3 PHE 87 2HB PHE 87 -5.784 -7.292 1.662 647 HD1 PHE 87 1HD PHE 87 -3.870 -4.190 1.218 648 HD2 PHE 87 2HD PHE 87 -6.695 -6.279 3.621 649 HE1 PHE 87 1HE PHE 87 -4.407 -2.099 2.398 650 HE2 PHE 87 2HE PHE 87 -7.237 -4.190 4.804 651 HZ PHE 87 HZ PHE 87 -6.094 -2.096 4.192 652 H ARG 88 H ARG 88 -3.994 -9.841 2.799 653 HA ARG 88 HA ARG 88 -2.995 -10.776 0.189 654 HB2 ARG 88 1HB ARG 88 -1.340 -11.262 1.884 655 HB3 ARG 88 2HB ARG 88 -2.560 -11.989 2.921 656 HG2 ARG 88 1HG ARG 88 -2.705 -13.901 1.638 657 HG3 ARG 88 2HG ARG 88 -2.068 -13.105 0.197 658 HD2 ARG 88 1HD ARG 88 0.132 -12.926 1.347 659 HD3 ARG 88 2HD ARG 88 -0.535 -13.872 2.677 660 HE ARG 88 HE ARG 88 0.345 -14.852 0.131 661 HH11 ARG 88 2HH1 ARG 88 -1.794 -15.431 2.815 662 HH12 ARG 88 1HH1 ARG 88 -1.880 -17.141 2.547 663 HH21 ARG 88 2HH2 ARG 88 0.241 -17.101 -0.233 664 HH22 ARG 88 1HH2 ARG 88 -0.721 -18.090 0.814 665 H GLY 89 H GLY 89 -4.679 -11.530 -0.924 666 HA2 GLY 89 1HA GLY 89 -6.225 -13.273 -1.364 667 HA3 GLY 89 2HA GLY 89 -6.415 -13.505 0.367 668 H GLY 90 H GLY 90 -6.776 -10.642 0.890 669 HA2 GLY 90 1HA GLY 90 -8.652 -9.245 -0.413 670 HA3 GLY 90 2HA GLY 90 -9.614 -10.543 0.278 671 H LYS 91 H LYS 91 -7.663 -10.562 2.618 672 HA LYS 91 HA LYS 91 -8.880 -8.282 4.030 673 HB2 LYS 91 1HB LYS 91 -7.992 -10.992 5.019 674 HB3 LYS 91 2HB LYS 91 -8.401 -9.666 6.101 675 HG2 LYS 91 1HG LYS 91 -10.648 -9.708 5.507 676 HG3 LYS 91 2HG LYS 91 -10.334 -10.596 4.014 677 HD2 LYS 91 1HD LYS 91 -11.333 -12.111 5.569 678 HD3 LYS 91 2HD LYS 91 -9.627 -12.543 5.418 679 HE2 LYS 91 1HE LYS 91 -9.223 -11.132 7.475 680 HE3 LYS 91 2HE LYS 91 -10.974 -11.057 7.664 681 HZ1 LYS 91 1HZ LYS 91 -9.171 -13.184 8.294 682 HZ2 LYS 91 2HZ LYS 91 -10.451 -13.711 7.323 683 HZ3 LYS 91 3HZ LYS 91 -10.769 -12.943 8.796 684 H LYS 92 H LYS 92 -7.563 -7.473 5.908 685 HA LYS 92 HA LYS 92 -5.022 -6.624 4.981 686 HB2 LYS 92 1HB LYS 92 -4.867 -5.372 6.991 687 HB3 LYS 92 2HB LYS 92 -6.567 -5.362 6.540 688 HG2 LYS 92 1HG LYS 92 -6.784 -7.368 8.135 689 HG3 LYS 92 2HG LYS 92 -5.218 -6.844 8.761 690 HD2 LYS 92 1HD LYS 92 -7.593 -5.007 8.524 691 HD3 LYS 92 2HD LYS 92 -7.248 -5.953 9.974 692 HE2 LYS 92 1HE LYS 92 -5.016 -4.878 10.082 693 HE3 LYS 92 2HE LYS 92 -5.469 -3.871 8.708 694 HZ1 LYS 92 1HZ LYS 92 -5.781 -2.748 10.846 695 HZ2 LYS 92 2HZ LYS 92 -6.897 -3.931 11.311 696 HZ3 LYS 92 3HZ LYS 92 -7.239 -2.912 10.003 697 H VAL 93 H VAL 93 -2.963 -6.942 6.054 698 HA VAL 93 HA VAL 93 -2.742 -9.601 7.311 699 HB VAL 93 HB VAL 93 -0.731 -8.270 5.492 700 HG11 VAL 93 1HG1 VAL 93 -0.500 -10.410 7.411 701 HG12 VAL 93 2HG1 VAL 93 -0.131 -10.976 5.781 702 HG13 VAL 93 3HG1 VAL 93 0.753 -9.611 6.464 703 HG21 VAL 93 1HG2 VAL 93 -2.804 -9.148 4.389 704 HG22 VAL 93 2HG2 VAL 93 -1.304 -9.902 3.848 705 HG23 VAL 93 3HG2 VAL 93 -2.361 -10.750 4.976 706 H SER 94 H SER 94 -0.826 -6.618 6.892 707 HA SER 94 HA SER 94 -0.550 -6.321 9.750 708 HB2 SER 94 1HB SER 94 1.234 -7.997 9.008 709 HB3 SER 94 2HB SER 94 1.989 -6.653 8.152 710 HG SER 94 HG SER 94 2.450 -5.687 10.036 711 H GLU 95 H GLU 95 0.357 -4.294 10.363 712 HA GLU 95 HA GLU 95 0.162 -2.294 8.228 713 HB2 GLU 95 1HB GLU 95 -1.338 -1.934 10.099 714 HB3 GLU 95 2HB GLU 95 0.003 -2.018 11.232 715 HG2 GLU 95 1HG GLU 95 0.950 -0.012 9.932 716 HG3 GLU 95 2HG GLU 95 -0.685 0.150 9.293 717 H HIS 96 H HIS 96 1.877 -1.166 7.564 718 HA HIS 96 HA HIS 96 4.485 -1.833 8.495 719 HB2 HIS 96 1HB HIS 96 3.745 -1.090 6.128 720 HB3 HIS 96 2HB HIS 96 3.875 0.548 6.763 721 HD1 HIS 96 1HD HIS 96 6.457 0.245 8.417 722 HD2 HIS 96 2HD HIS 96 5.965 -1.212 4.557 723 HE1 HIS 96 1HE HIS 96 8.779 0.044 7.473 724 HE2 HIS 96 2HE HIS 96 8.451 -0.759 5.108 725 H SER 97 H SER 97 5.297 -1.125 10.349 726 HA SER 97 HA SER 97 4.604 1.591 11.250 727 HB2 SER 97 1HB SER 97 4.073 -0.485 12.700 728 HB3 SER 97 2HB SER 97 5.808 -0.533 13.012 729 HG SER 97 HG SER 97 5.688 1.452 13.973 730 H GLY 98 H GLY 98 7.274 -0.690 10.837 731 HA2 GLY 98 1HA GLY 98 9.374 0.813 11.838 732 HA3 GLY 98 2HA GLY 98 9.520 -0.332 10.513 733 H GLY 99 H GLY 99 11.233 1.510 10.169 734 HA2 GLY 99 1HA GLY 99 10.711 4.033 9.301 735 HA3 GLY 99 2HA GLY 99 11.942 3.014 8.569 736 H ARG 100 H ARG 100 9.955 5.054 7.507 737 HA ARG 100 HA ARG 100 8.480 3.380 5.610 738 HB2 ARG 100 1HB ARG 100 8.277 6.272 6.410 739 HB3 ARG 100 2HB ARG 100 7.505 5.673 4.949 740 HG2 ARG 100 1HG ARG 100 6.285 4.016 6.340 741 HG3 ARG 100 2HG ARG 100 6.974 4.783 7.773 742 HD2 ARG 100 1HD ARG 100 5.576 6.505 5.795 743 HD3 ARG 100 2HD ARG 100 4.596 5.462 6.825 744 HE ARG 100 HE ARG 100 5.159 6.761 8.645 745 HH11 ARG 100 2HH1 ARG 100 7.083 7.663 5.889 746 HH12 ARG 100 1HH1 ARG 100 7.700 9.104 6.628 747 HH21 ARG 100 2HH2 ARG 100 5.964 8.654 9.629 748 HH22 ARG 100 1HH2 ARG 100 7.064 9.666 8.755 749 H ASP 101 H ASP 101 11.329 3.583 5.395 750 HA ASP 101 HA ASP 101 11.847 5.384 3.178 751 HB2 ASP 101 1HB ASP 101 13.736 3.310 4.282 752 HB3 ASP 101 2HB ASP 101 14.133 4.782 3.398 753 H LEU 102 H LEU 102 12.362 4.760 1.086 754 HA LEU 102 HA LEU 102 10.936 2.938 -0.240 755 HB2 LEU 102 1HB LEU 102 12.307 4.373 -1.497 756 HB3 LEU 102 2HB LEU 102 13.774 3.789 -0.715 757 HG LEU 102 HG LEU 102 13.525 1.644 -1.903 758 HD11 LEU 102 1HD1 LEU 102 11.152 1.553 -2.210 759 HD12 LEU 102 2HD1 LEU 102 11.918 1.550 -3.798 760 HD13 LEU 102 3HD1 LEU 102 11.172 3.024 -3.182 761 HD21 LEU 102 1HD2 LEU 102 13.869 2.649 -4.247 762 HD22 LEU 102 2HD2 LEU 102 14.992 3.106 -2.966 763 HD23 LEU 102 3HD2 LEU 102 13.701 4.210 -3.443 764 H ASP 103 H ASP 103 14.219 2.192 0.944 765 HA ASP 103 HA ASP 103 14.113 -0.553 0.339 766 HB2 ASP 103 1HB ASP 103 16.108 -0.772 1.640 767 HB3 ASP 103 2HB ASP 103 16.187 0.791 0.832 768 H SER 104 H SER 104 13.438 1.209 3.344 769 HA SER 104 HA SER 104 12.981 -0.953 5.023 770 HB2 SER 104 1HB SER 104 11.586 1.734 5.032 771 HB3 SER 104 2HB SER 104 11.612 0.594 6.376 772 HG SER 104 HG SER 104 13.220 2.319 6.446 773 H LEU 105 H LEU 105 11.140 0.148 2.363 774 HA LEU 105 HA LEU 105 8.663 -1.078 3.230 775 HB2 LEU 105 1HB LEU 105 9.478 0.187 0.620 776 HB3 LEU 105 2HB LEU 105 7.867 -0.439 0.962 777 HG LEU 105 HG LEU 105 9.112 1.739 2.617 778 HD11 LEU 105 1HD1 LEU 105 7.220 2.250 0.350 779 HD12 LEU 105 2HD1 LEU 105 8.967 2.260 0.109 780 HD13 LEU 105 3HD1 LEU 105 8.227 3.394 1.239 781 HD21 LEU 105 1HD2 LEU 105 7.275 0.905 3.750 782 HD22 LEU 105 2HD2 LEU 105 6.382 0.567 2.267 783 HD23 LEU 105 3HD2 LEU 105 6.574 2.232 2.822 784 H HIS 106 H HIS 106 10.962 -1.586 0.551 785 HA HIS 106 HA HIS 106 9.885 -3.869 -0.541 786 HB2 HIS 106 1HB HIS 106 11.928 -2.508 -1.301 787 HB3 HIS 106 2HB HIS 106 12.859 -3.527 -0.209 788 HD1 HIS 106 1HD HIS 106 14.001 -5.283 -1.503 789 HD2 HIS 106 2HD HIS 106 10.219 -4.478 -3.019 790 HE1 HIS 106 1HE HIS 106 13.696 -6.873 -3.427 791 HE2 HIS 106 2HE HIS 106 11.436 -6.310 -4.382 792 H ARG 107 H ARG 107 12.296 -3.695 2.075 793 HA ARG 107 HA ARG 107 12.569 -6.429 2.524 794 HB2 ARG 107 1HB ARG 107 13.470 -5.847 4.689 795 HB3 ARG 107 2HB ARG 107 14.024 -4.674 3.503 796 HG2 ARG 107 1HG ARG 107 12.156 -3.175 4.270 797 HG3 ARG 107 2HG ARG 107 11.899 -4.313 5.595 798 HD2 ARG 107 1HD ARG 107 14.309 -2.611 5.026 799 HD3 ARG 107 2HD ARG 107 13.295 -2.629 6.468 800 HE ARG 107 HE ARG 107 14.412 -4.527 7.213 801 HH11 ARG 107 2HH1 ARG 107 15.482 -3.604 4.031 802 HH12 ARG 107 1HH1 ARG 107 16.882 -4.626 4.064 803 HH21 ARG 107 2HH2 ARG 107 16.251 -5.875 7.267 804 HH22 ARG 107 1HH2 ARG 107 17.318 -5.918 5.904 805 H PHE 108 H PHE 108 10.346 -4.113 4.053 806 HA PHE 108 HA PHE 108 9.109 -5.709 5.897 807 HB2 PHE 108 1HB PHE 108 8.518 -3.396 5.763 808 HB3 PHE 108 2HB PHE 108 7.927 -3.578 4.115 809 HD1 PHE 108 1HD PHE 108 7.275 -4.637 7.611 810 HD2 PHE 108 2HD PHE 108 5.685 -4.038 3.708 811 HE1 PHE 108 1HE PHE 108 5.009 -5.046 8.476 812 HE2 PHE 108 2HE PHE 108 3.415 -4.445 4.568 813 HZ PHE 108 HZ PHE 108 3.075 -4.949 6.954 814 H VAL 109 H VAL 109 7.729 -5.153 2.655 815 HA VAL 109 HA VAL 109 5.813 -7.130 2.701 816 HB VAL 109 HB VAL 109 7.412 -6.276 0.283 817 HG11 VAL 109 1HG1 VAL 109 6.125 -7.622 -0.924 818 HG12 VAL 109 2HG1 VAL 109 5.431 -8.257 0.569 819 HG13 VAL 109 3HG1 VAL 109 4.670 -6.891 -0.248 820 HG21 VAL 109 1HG2 VAL 109 5.116 -5.043 1.742 821 HG22 VAL 109 2HG2 VAL 109 6.553 -4.279 1.063 822 HG23 VAL 109 3HG2 VAL 109 5.260 -4.830 -0.003 823 H LEU 110 H LEU 110 9.185 -7.401 1.624 824 HA LEU 110 HA LEU 110 9.160 -10.013 0.709 825 HB2 LEU 110 1HB LEU 110 11.299 -8.393 2.057 826 HB3 LEU 110 2HB LEU 110 11.596 -10.030 1.474 827 HG LEU 110 HG LEU 110 10.586 -7.864 -0.348 828 HD11 LEU 110 1HD1 LEU 110 13.182 -7.989 -0.985 829 HD12 LEU 110 2HD1 LEU 110 13.298 -8.262 0.753 830 HD13 LEU 110 3HD1 LEU 110 12.521 -6.802 0.140 831 HD21 LEU 110 1HD2 LEU 110 12.375 -9.886 -1.403 832 HD22 LEU 110 2HD2 LEU 110 10.771 -9.399 -1.950 833 HD23 LEU 110 3HD2 LEU 110 10.939 -10.590 -0.660 834 H SER 111 H SER 111 9.252 -8.797 3.990 835 HA SER 111 HA SER 111 9.791 -11.393 5.139 836 HB2 SER 111 1HB SER 111 10.416 -9.031 6.081 837 HB3 SER 111 2HB SER 111 8.775 -9.059 6.727 838 HG SER 111 HG SER 111 10.973 -10.678 7.361 839 H GLN 112 H GLN 112 7.024 -9.189 4.899 840 HA GLN 112 HA GLN 112 5.178 -10.603 6.403 841 HB2 GLN 112 1HB GLN 112 4.686 -9.007 3.883 842 HB3 GLN 112 2HB GLN 112 3.448 -9.490 5.034 843 HG2 GLN 112 1HG GLN 112 5.572 -7.426 5.288 844 HG3 GLN 112 2HG GLN 112 3.857 -7.338 5.687 845 HE21 GLN 112 1HE2 GLN 112 3.335 -9.197 7.404 846 HE22 GLN 112 2HE2 GLN 112 4.338 -9.124 8.808 847 H ALA 113 H ALA 113 5.697 -10.824 2.882 848 HA ALA 113 HA ALA 113 4.002 -13.148 2.683 849 HB1 ALA 113 1HB ALA 113 4.087 -11.489 0.881 850 HB2 ALA 113 2HB ALA 113 5.784 -11.884 0.606 851 HB3 ALA 113 3HB ALA 113 4.539 -13.097 0.313 852 H LYS 114 H LYS 114 6.091 -13.598 4.477 853 HA LYS 114 HA LYS 114 7.529 -15.744 3.084 854 HB2 LYS 114 1HB LYS 114 8.879 -13.542 3.648 855 HB3 LYS 114 2HB LYS 114 8.931 -14.251 5.258 856 HG2 LYS 114 1HG LYS 114 10.921 -14.879 4.125 857 HG3 LYS 114 2HG LYS 114 9.898 -16.313 4.233 858 HD2 LYS 114 1HD LYS 114 9.194 -16.034 1.939 859 HD3 LYS 114 2HD LYS 114 10.085 -14.514 1.818 860 HE2 LYS 114 1HE LYS 114 12.164 -15.854 2.365 861 HE3 LYS 114 2HE LYS 114 11.188 -17.299 2.111 862 HZ1 LYS 114 1HZ LYS 114 11.130 -15.280 0.008 863 HZ2 LYS 114 2HZ LYS 114 11.108 -16.967 -0.110 864 HZ3 LYS 114 3HZ LYS 114 12.566 -16.159 0.178 865 H ASP 115 H ASP 115 7.613 -17.640 4.163 866 HA ASP 115 HA ASP 115 6.053 -17.876 6.580 867 HB2 ASP 115 1HB ASP 115 6.105 -19.515 4.578 868 HB3 ASP 115 2HB ASP 115 7.591 -20.120 5.301 869 H GLU 116 H GLU 116 8.338 -16.335 7.001 870 HA GLU 116 HA GLU 116 10.311 -16.199 8.183 871 HB2 GLU 116 1HB GLU 116 10.042 -16.906 10.480 872 HB3 GLU 116 2HB GLU 116 8.519 -16.254 9.891 873 HG2 GLU 116 1HG GLU 116 7.505 -18.336 9.819 874 HG3 GLU 116 2HG GLU 116 9.045 -19.194 9.804 875 H LEU 117 H LEU 117 10.554 -18.154 6.207 876 HA LEU 117 HA LEU 117 12.267 -20.126 7.569 877 HB2 LEU 117 1HB LEU 117 10.302 -21.248 6.725 878 HB3 LEU 117 2HB LEU 117 10.538 -20.528 5.133 879 HG LEU 117 HG LEU 117 12.825 -21.826 5.246 880 HD11 LEU 117 1HD1 LEU 117 12.169 -24.106 6.364 881 HD12 LEU 117 2HD1 LEU 117 11.155 -23.073 7.372 882 HD13 LEU 117 3HD1 LEU 117 12.898 -22.809 7.312 883 HD21 LEU 117 1HD2 LEU 117 10.099 -22.890 4.586 884 HD22 LEU 117 2HD2 LEU 117 11.555 -23.851 4.313 885 HD23 LEU 117 3HD2 LEU 117 11.356 -22.300 3.496 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -9.766 -2.263 -23.521 2 HA2 GLY 1 1HA GLY 1 -11.426 -0.234 -22.187 3 HA3 GLY 1 2HA GLY 1 -11.498 -1.901 -21.633 4 H SER 2 H SER 2 -10.626 -1.707 -19.636 5 HA SER 2 HA SER 2 -8.297 -0.120 -19.120 6 HB2 SER 2 1HB SER 2 -10.044 -1.938 -17.515 7 HB3 SER 2 2HB SER 2 -8.445 -1.541 -16.887 8 HG SER 2 HG SER 2 -8.993 0.593 -16.837 9 H SER 3 H SER 3 -6.259 -0.916 -18.354 10 HA SER 3 HA SER 3 -5.516 -3.450 -19.640 11 HB2 SER 3 1HB SER 3 -3.955 -0.969 -18.948 12 HB3 SER 3 2HB SER 3 -3.142 -2.491 -19.311 13 HG SER 3 HG SER 3 -3.597 -0.929 -21.108 14 H GLY 4 H GLY 4 -4.642 -1.554 -16.742 15 HA2 GLY 4 1HA GLY 4 -5.066 -2.850 -14.604 16 HA3 GLY 4 2HA GLY 4 -4.110 -4.112 -15.368 17 H SER 5 H SER 5 -1.919 -3.162 -16.257 18 HA SER 5 HA SER 5 -0.422 -2.396 -13.988 19 HB2 SER 5 1HB SER 5 0.293 -3.633 -16.199 20 HB3 SER 5 2HB SER 5 0.646 -1.998 -16.757 21 HG SER 5 HG SER 5 2.447 -2.234 -15.712 22 H SER 6 H SER 6 0.403 -0.466 -13.334 23 HA SER 6 HA SER 6 -0.662 1.915 -14.687 24 HB2 SER 6 1HB SER 6 0.082 1.317 -11.843 25 HB3 SER 6 2HB SER 6 0.081 2.986 -12.411 26 HG SER 6 HG SER 6 -2.075 2.838 -12.844 27 H GLY 7 H GLY 7 2.288 0.699 -13.108 28 HA2 GLY 7 1HA GLY 7 4.433 0.946 -14.157 29 HA3 GLY 7 2HA GLY 7 3.845 2.410 -14.929 30 H THR 8 H THR 8 2.617 3.360 -12.410 31 HA THR 8 HA THR 8 5.059 4.008 -10.895 32 HB THR 8 HB THR 8 4.061 6.308 -10.543 33 HG1 THR 8 1HG THR 8 2.680 6.585 -12.726 34 HG21 THR 8 1HG2 THR 8 5.075 5.330 -13.187 35 HG22 THR 8 2HG2 THR 8 5.902 6.292 -11.962 36 HG23 THR 8 3HG2 THR 8 4.654 7.027 -12.966 37 H VAL 9 H VAL 9 1.534 4.557 -10.725 38 HA VAL 9 HA VAL 9 1.403 3.143 -8.196 39 HB VAL 9 HB VAL 9 0.780 6.091 -8.391 40 HG11 VAL 9 1HG1 VAL 9 0.216 4.246 -6.073 41 HG12 VAL 9 2HG1 VAL 9 -0.151 5.969 -6.180 42 HG13 VAL 9 3HG1 VAL 9 -1.003 4.820 -7.212 43 HG21 VAL 9 1HG2 VAL 9 2.273 5.963 -6.250 44 HG22 VAL 9 2HG2 VAL 9 2.828 4.449 -6.966 45 HG23 VAL 9 3HG2 VAL 9 3.016 5.964 -7.849 46 H LEU 10 H LEU 10 -0.505 2.142 -7.957 47 HA LEU 10 HA LEU 10 -2.498 2.470 -10.029 48 HB2 LEU 10 1HB LEU 10 -1.927 0.497 -7.893 49 HB3 LEU 10 2HB LEU 10 -3.598 0.637 -8.436 50 HG LEU 10 HG LEU 10 -2.410 0.381 -10.815 51 HD11 LEU 10 1HD1 LEU 10 -0.729 -1.475 -9.192 52 HD12 LEU 10 2HD1 LEU 10 -0.193 0.183 -9.461 53 HD13 LEU 10 3HD1 LEU 10 -0.487 -0.881 -10.836 54 HD21 LEU 10 1HD2 LEU 10 -3.539 -1.531 -8.865 55 HD22 LEU 10 2HD2 LEU 10 -2.684 -2.221 -10.243 56 HD23 LEU 10 3HD2 LEU 10 -4.055 -1.141 -10.506 57 H ALA 11 H ALA 11 -4.549 3.244 -9.790 58 HA ALA 11 HA ALA 11 -5.128 4.597 -7.241 59 HB1 ALA 11 1HB ALA 11 -5.808 5.235 -10.081 60 HB2 ALA 11 2HB ALA 11 -6.818 5.850 -8.771 61 HB3 ALA 11 3HB ALA 11 -5.105 6.268 -8.834 62 H LEU 12 H LEU 12 -6.235 3.101 -6.072 63 HA LEU 12 HA LEU 12 -8.337 1.523 -7.289 64 HB2 LEU 12 1HB LEU 12 -7.539 1.714 -4.389 65 HB3 LEU 12 2HB LEU 12 -8.557 0.476 -5.124 66 HG LEU 12 HG LEU 12 -5.625 0.887 -5.717 67 HD11 LEU 12 1HD1 LEU 12 -6.445 -1.586 -4.416 68 HD12 LEU 12 2HD1 LEU 12 -6.711 -0.155 -3.421 69 HD13 LEU 12 3HD1 LEU 12 -5.101 -0.502 -4.053 70 HD21 LEU 12 1HD2 LEU 12 -5.790 -0.686 -7.302 71 HD22 LEU 12 2HD2 LEU 12 -7.511 -0.299 -7.297 72 HD23 LEU 12 3HD2 LEU 12 -6.911 -1.663 -6.353 73 H THR 13 H THR 13 -10.531 1.582 -6.678 74 HA THR 13 HA THR 13 -11.391 4.034 -5.294 75 HB THR 13 HB THR 13 -13.259 4.276 -6.862 76 HG1 THR 13 1HG THR 13 -12.124 2.496 -8.689 77 HG21 THR 13 1HG2 THR 13 -10.438 4.411 -7.740 78 HG22 THR 13 2HG2 THR 13 -11.660 5.679 -7.653 79 HG23 THR 13 3HG2 THR 13 -11.659 4.547 -9.006 80 H GLU 14 H GLU 14 -13.623 3.920 -4.468 81 HA GLU 14 HA GLU 14 -14.053 1.689 -2.872 82 HB2 GLU 14 1HB GLU 14 -15.737 4.007 -3.708 83 HB3 GLU 14 2HB GLU 14 -16.512 2.667 -2.875 84 HG2 GLU 14 1HG GLU 14 -15.989 3.966 -1.092 85 HG3 GLU 14 2HG GLU 14 -14.515 3.006 -1.191 86 H ASN 15 H ASN 15 -14.603 2.044 -6.185 87 HA ASN 15 HA ASN 15 -16.691 0.006 -6.282 88 HB2 ASN 15 1HB ASN 15 -15.579 1.993 -8.197 89 HB3 ASN 15 2HB ASN 15 -16.221 0.498 -8.872 90 HD21 ASN 15 1HD2 ASN 15 -16.945 3.512 -7.427 91 HD22 ASN 15 2HD2 ASN 15 -18.666 3.386 -7.491 92 H ASN 16 H ASN 16 -13.295 0.460 -6.989 93 HA ASN 16 HA ASN 16 -13.084 -2.422 -7.532 94 HB2 ASN 16 1HB ASN 16 -11.188 -1.824 -9.118 95 HB3 ASN 16 2HB ASN 16 -12.814 -1.449 -9.680 96 HD21 ASN 16 1HD2 ASN 16 -10.077 0.001 -7.965 97 HD22 ASN 16 2HD2 ASN 16 -10.269 1.581 -8.639 98 H PHE 17 H PHE 17 -12.740 -1.232 -5.030 99 HA PHE 17 HA PHE 17 -9.855 -1.010 -4.634 100 HB2 PHE 17 1HB PHE 17 -11.085 0.675 -3.484 101 HB3 PHE 17 2HB PHE 17 -12.222 -0.503 -2.833 102 HD1 PHE 17 1HD PHE 17 -11.364 -2.187 -1.149 103 HD2 PHE 17 2HD PHE 17 -9.165 1.269 -2.302 104 HE1 PHE 17 1HE PHE 17 -9.999 -2.380 0.890 105 HE2 PHE 17 2HE PHE 17 -7.796 1.083 -0.267 106 HZ PHE 17 HZ PHE 17 -8.211 -0.744 1.332 107 H ASP 18 H ASP 18 -12.600 -2.889 -3.372 108 HA ASP 18 HA ASP 18 -10.973 -4.681 -1.876 109 HB2 ASP 18 1HB ASP 18 -13.532 -4.117 -1.676 110 HB3 ASP 18 2HB ASP 18 -13.708 -5.436 -2.830 111 H ASP 19 H ASP 19 -12.615 -4.925 -5.013 112 HA ASP 19 HA ASP 19 -12.031 -7.542 -5.657 113 HB2 ASP 19 1HB ASP 19 -12.229 -5.093 -7.411 114 HB3 ASP 19 2HB ASP 19 -12.040 -6.718 -8.065 115 H THR 20 H THR 20 -9.999 -4.671 -6.059 116 HA THR 20 HA THR 20 -7.894 -5.845 -7.468 117 HB THR 20 HB THR 20 -7.753 -3.595 -5.452 118 HG1 THR 20 1HG THR 20 -9.167 -3.201 -7.233 119 HG21 THR 20 1HG2 THR 20 -5.629 -4.937 -6.485 120 HG22 THR 20 2HG2 THR 20 -5.598 -3.235 -6.021 121 HG23 THR 20 3HG2 THR 20 -5.864 -3.685 -7.705 122 H ILE 21 H ILE 21 -7.768 -4.998 -4.006 123 HA ILE 21 HA ILE 21 -5.540 -6.424 -3.308 124 HB ILE 21 HB ILE 21 -6.479 -6.577 -1.014 125 HG12 ILE 21 1HG1 ILE 21 -8.939 -5.337 -2.265 126 HG13 ILE 21 2HG1 ILE 21 -8.829 -6.999 -1.692 127 HG21 ILE 21 1HG2 ILE 21 -7.235 -3.870 -1.439 128 HG22 ILE 21 2HG2 ILE 21 -5.715 -4.505 -0.811 129 HG23 ILE 21 3HG2 ILE 21 -5.919 -4.263 -2.546 130 HD11 ILE 21 1HD1 ILE 21 -8.539 -4.532 0.006 131 HD12 ILE 21 2HD1 ILE 21 -9.963 -5.569 -0.087 132 HD13 ILE 21 3HD1 ILE 21 -8.455 -6.199 0.574 133 H ALA 22 H ALA 22 -8.792 -7.631 -3.809 134 HA ALA 22 HA ALA 22 -8.626 -10.129 -2.618 135 HB1 ALA 22 1HB ALA 22 -10.544 -8.867 -3.976 136 HB2 ALA 22 2HB ALA 22 -10.007 -9.982 -5.233 137 HB3 ALA 22 3HB ALA 22 -10.570 -10.607 -3.682 138 H GLU 23 H GLU 23 -7.401 -9.040 -5.735 139 HA GLU 23 HA GLU 23 -6.465 -11.725 -6.386 140 HB2 GLU 23 1HB GLU 23 -6.321 -9.134 -7.938 141 HB3 GLU 23 2HB GLU 23 -5.743 -10.687 -8.527 142 HG2 GLU 23 1HG GLU 23 -8.037 -11.576 -8.328 143 HG3 GLU 23 2HG GLU 23 -8.586 -9.972 -7.846 144 H GLY 24 H GLY 24 -4.574 -12.376 -5.610 145 HA2 GLY 24 1HA GLY 24 -2.397 -12.362 -4.884 146 HA3 GLY 24 2HA GLY 24 -2.145 -11.092 -6.073 147 H ILE 25 H ILE 25 -0.563 -10.407 -4.387 148 HA ILE 25 HA ILE 25 -1.700 -9.175 -2.017 149 HB ILE 25 HB ILE 25 1.144 -9.304 -3.022 150 HG12 ILE 25 1HG1 ILE 25 -0.121 -10.646 -0.627 151 HG13 ILE 25 2HG1 ILE 25 0.062 -11.427 -2.194 152 HG21 ILE 25 1HG2 ILE 25 1.710 -8.481 -0.720 153 HG22 ILE 25 2HG2 ILE 25 0.951 -7.290 -1.775 154 HG23 ILE 25 3HG2 ILE 25 0.003 -8.085 -0.519 155 HD11 ILE 25 1HD1 ILE 25 1.875 -12.185 -0.961 156 HD12 ILE 25 2HD1 ILE 25 2.552 -10.890 -1.946 157 HD13 ILE 25 3HD1 ILE 25 2.176 -10.602 -0.248 158 H THR 26 H THR 26 -2.174 -7.081 -1.787 159 HA THR 26 HA THR 26 -1.190 -5.186 -3.814 160 HB THR 26 HB THR 26 -3.981 -5.156 -2.654 161 HG1 THR 26 1HG THR 26 -3.231 -6.833 -4.360 162 HG21 THR 26 1HG2 THR 26 -4.012 -3.049 -3.382 163 HG22 THR 26 2HG2 THR 26 -3.830 -3.671 -5.024 164 HG23 THR 26 3HG2 THR 26 -2.405 -3.218 -4.088 165 H PHE 27 H PHE 27 0.052 -3.737 -2.837 166 HA PHE 27 HA PHE 27 -0.356 -3.121 -0.019 167 HB2 PHE 27 1HB PHE 27 1.923 -3.563 -1.279 168 HB3 PHE 27 2HB PHE 27 1.796 -1.849 -1.659 169 HD1 PHE 27 1HD PHE 27 0.893 -3.727 1.426 170 HD2 PHE 27 2HD PHE 27 3.367 -0.763 -0.366 171 HE1 PHE 27 1HE PHE 27 1.823 -3.172 3.635 172 HE2 PHE 27 2HE PHE 27 4.302 -0.205 1.841 173 HZ PHE 27 HZ PHE 27 3.532 -1.410 3.844 174 H ILE 28 H ILE 28 -1.771 -1.579 0.453 175 HA ILE 28 HA ILE 28 -2.128 0.665 -1.400 176 HB ILE 28 HB ILE 28 -3.811 -0.174 0.964 177 HG12 ILE 28 1HG1 ILE 28 -4.485 -0.330 -1.976 178 HG13 ILE 28 2HG1 ILE 28 -3.808 -1.682 -1.074 179 HG21 ILE 28 1HG2 ILE 28 -5.458 1.437 -0.170 180 HG22 ILE 28 2HG2 ILE 28 -4.139 2.125 0.775 181 HG23 ILE 28 3HG2 ILE 28 -4.037 2.091 -0.985 182 HD11 ILE 28 1HD1 ILE 28 -5.918 -2.252 -0.680 183 HD12 ILE 28 2HD1 ILE 28 -5.937 -0.918 0.475 184 HD13 ILE 28 3HD1 ILE 28 -6.528 -0.671 -1.168 185 H LYS 29 H LYS 29 -2.133 2.828 -0.654 186 HA LYS 29 HA LYS 29 -0.864 3.274 1.961 187 HB2 LYS 29 1HB LYS 29 0.873 3.391 0.224 188 HB3 LYS 29 2HB LYS 29 -0.065 4.605 -0.635 189 HG2 LYS 29 1HG LYS 29 0.627 5.168 2.189 190 HG3 LYS 29 2HG LYS 29 1.927 5.232 0.998 191 HD2 LYS 29 1HD LYS 29 -0.678 6.748 0.835 192 HD3 LYS 29 2HD LYS 29 0.874 7.427 1.333 193 HE2 LYS 29 1HE LYS 29 1.632 6.411 -0.998 194 HE3 LYS 29 2HE LYS 29 -0.080 6.620 -1.363 195 HZ1 LYS 29 1HZ LYS 29 1.908 8.686 -0.647 196 HZ2 LYS 29 2HZ LYS 29 0.249 8.976 -0.503 197 HZ3 LYS 29 3HZ LYS 29 0.915 8.608 -2.014 198 H PHE 30 H PHE 30 -2.337 4.355 3.096 199 HA PHE 30 HA PHE 30 -4.182 6.174 1.798 200 HB2 PHE 30 1HB PHE 30 -3.934 5.604 4.753 201 HB3 PHE 30 2HB PHE 30 -5.322 6.277 3.904 202 HD1 PHE 30 1HD PHE 30 -3.314 3.220 4.400 203 HD2 PHE 30 2HD PHE 30 -6.931 4.882 2.889 204 HE1 PHE 30 1HE PHE 30 -4.236 0.956 4.126 205 HE2 PHE 30 2HE PHE 30 -7.858 2.619 2.614 206 HZ PHE 30 HZ PHE 30 -6.511 0.653 3.233 207 H TYR 31 H TYR 31 -3.412 8.123 1.286 208 HA TYR 31 HA TYR 31 -1.896 9.588 3.344 209 HB2 TYR 31 1HB TYR 31 -0.455 10.498 1.751 210 HB3 TYR 31 2HB TYR 31 -0.643 8.838 1.199 211 HD1 TYR 31 2HD TYR 31 -1.456 12.346 0.517 212 HD2 TYR 31 1HD TYR 31 -1.855 8.333 -0.839 213 HE1 TYR 31 2HE TYR 31 -2.193 13.168 -1.680 214 HE2 TYR 31 1HE TYR 31 -2.592 9.144 -3.041 215 HH TYR 31 HH TYR 31 -3.672 11.232 -3.967 216 H ALA 32 H ALA 32 -1.893 12.063 2.618 217 HA ALA 32 HA ALA 32 -4.614 12.814 1.800 218 HB1 ALA 32 1HB ALA 32 -3.955 12.825 4.402 219 HB2 ALA 32 2HB ALA 32 -3.408 14.441 3.948 220 HB3 ALA 32 3HB ALA 32 -5.087 13.971 3.682 221 HA PRO 33 HA PRO 33 -2.407 15.604 -0.821 222 HB2 PRO 33 1HB PRO 33 -4.514 17.145 -1.564 223 HB3 PRO 33 2HB PRO 33 -4.248 15.514 -2.193 224 HG2 PRO 33 1HG PRO 33 -6.082 16.426 -0.009 225 HG3 PRO 33 2HG PRO 33 -6.387 15.266 -1.315 226 HD2 PRO 33 1HD PRO 33 -5.788 14.493 1.211 227 HD3 PRO 33 2HD PRO 33 -5.305 13.553 -0.216 228 H TRP 34 H TRP 34 -3.539 16.289 2.192 229 HA TRP 34 HA TRP 34 -2.681 19.104 2.014 230 HB2 TRP 34 1HB TRP 34 -4.123 19.412 4.102 231 HB3 TRP 34 2HB TRP 34 -4.974 19.181 2.578 232 HD1 TRP 34 HD TRP 34 -6.418 16.979 2.297 233 HE1 TRP 34 1HE TRP 34 -7.219 15.190 3.966 234 HE3 TRP 34 3HE TRP 34 -3.393 18.143 6.251 235 HZ2 TRP 34 2HZ TRP 34 -6.645 14.381 6.608 236 HZ3 TRP 34 3HZ TRP 34 -3.582 16.815 8.313 237 HH2 TRP 34 HH TRP 34 -5.176 14.972 8.485 238 H CYS 35 H CYS 35 -1.647 16.190 2.926 239 HA CYS 35 HA CYS 35 -0.541 16.938 5.513 240 HB2 CYS 35 1HB CYS 35 -1.457 14.603 4.866 241 HB3 CYS 35 2HB CYS 35 0.080 14.393 4.037 242 HG CYS 35 HG CYS 35 -0.603 13.857 7.157 243 H GLY 36 H GLY 36 1.715 16.941 5.959 244 HA2 GLY 36 1HA GLY 36 3.280 17.927 3.702 245 HA3 GLY 36 2HA GLY 36 3.713 18.047 5.402 246 H HIS 37 H HIS 37 3.953 15.711 6.418 247 HA HIS 37 HA HIS 37 6.285 14.606 5.562 248 HB2 HIS 37 1HB HIS 37 4.020 13.040 6.814 249 HB3 HIS 37 2HB HIS 37 5.728 12.618 6.852 250 HD1 HIS 37 1HD HIS 37 7.245 14.651 8.047 251 HD2 HIS 37 2HD HIS 37 3.229 14.311 9.056 252 HE1 HIS 37 1HE HIS 37 6.997 15.863 10.236 253 HE2 HIS 37 2HE HIS 37 4.576 15.570 10.869 254 H CYS 38 H CYS 38 3.057 13.898 4.379 255 HA CYS 38 HA CYS 38 3.499 11.574 2.954 256 HB2 CYS 38 1HB CYS 38 1.275 12.444 3.151 257 HB3 CYS 38 2HB CYS 38 1.720 13.931 2.321 258 HG CYS 38 HG CYS 38 2.187 12.591 -0.143 259 H LYS 39 H LYS 39 3.978 14.925 1.874 260 HA LYS 39 HA LYS 39 4.679 14.591 -0.733 261 HB2 LYS 39 1HB LYS 39 5.588 16.470 1.393 262 HB3 LYS 39 2HB LYS 39 6.485 16.453 -0.120 263 HG2 LYS 39 1HG LYS 39 4.952 18.058 -0.603 264 HG3 LYS 39 2HG LYS 39 4.066 16.636 -1.156 265 HD2 LYS 39 1HD LYS 39 3.126 16.571 1.250 266 HD3 LYS 39 2HD LYS 39 3.693 18.239 1.351 267 HE2 LYS 39 1HE LYS 39 1.512 18.509 0.636 268 HE3 LYS 39 2HE LYS 39 2.403 18.536 -0.885 269 HZ1 LYS 39 1HZ LYS 39 0.935 16.983 -1.493 270 HZ2 LYS 39 2HZ LYS 39 0.491 16.610 0.096 271 HZ3 LYS 39 3HZ LYS 39 1.879 15.918 -0.580 272 H THR 40 H THR 40 6.563 13.726 2.081 273 HA THR 40 HA THR 40 9.022 13.290 0.712 274 HB THR 40 HB THR 40 8.120 12.067 3.326 275 HG1 THR 40 1HG THR 40 8.076 14.431 3.218 276 HG21 THR 40 1HG2 THR 40 10.486 11.760 1.769 277 HG22 THR 40 2HG2 THR 40 10.111 11.072 3.349 278 HG23 THR 40 3HG2 THR 40 10.895 12.647 3.237 279 H LEU 41 H LEU 41 6.246 11.276 1.490 280 HA LEU 41 HA LEU 41 7.531 8.873 0.508 281 HB2 LEU 41 1HB LEU 41 5.844 9.012 2.420 282 HB3 LEU 41 2HB LEU 41 4.619 9.198 1.168 283 HG LEU 41 HG LEU 41 5.439 6.985 0.236 284 HD11 LEU 41 1HD1 LEU 41 7.588 6.933 1.395 285 HD12 LEU 41 2HD1 LEU 41 6.614 5.514 1.779 286 HD13 LEU 41 3HD1 LEU 41 6.753 6.831 2.946 287 HD21 LEU 41 1HD2 LEU 41 4.443 6.331 2.909 288 HD22 LEU 41 2HD2 LEU 41 3.740 6.009 1.323 289 HD23 LEU 41 3HD2 LEU 41 3.522 7.587 2.082 290 H ALA 42 H ALA 42 5.417 11.356 -0.666 291 HA ALA 42 HA ALA 42 3.954 10.395 -2.666 292 HB1 ALA 42 1HB ALA 42 3.840 12.577 -3.057 293 HB2 ALA 42 2HB ALA 42 5.381 12.854 -2.242 294 HB3 ALA 42 3HB ALA 42 5.350 12.447 -3.958 295 HA PRO 43 HA PRO 43 7.637 9.830 -5.735 296 HB2 PRO 43 1HB PRO 43 10.151 10.099 -4.745 297 HB3 PRO 43 2HB PRO 43 9.226 11.454 -5.405 298 HG2 PRO 43 1HG PRO 43 9.639 10.655 -2.550 299 HG3 PRO 43 2HG PRO 43 9.683 12.272 -3.276 300 HD2 PRO 43 1HD PRO 43 7.529 11.337 -1.925 301 HD3 PRO 43 2HD PRO 43 7.386 12.462 -3.291 302 H THR 44 H THR 44 8.443 8.878 -2.409 303 HA THR 44 HA THR 44 9.836 6.535 -2.956 304 HB THR 44 HB THR 44 7.993 6.947 -0.598 305 HG1 THR 44 1HG THR 44 10.549 7.974 -1.202 306 HG21 THR 44 1HG2 THR 44 9.913 5.578 0.479 307 HG22 THR 44 2HG2 THR 44 10.296 5.120 -1.181 308 HG23 THR 44 3HG2 THR 44 8.715 4.736 -0.502 309 H TRP 45 H TRP 45 6.400 6.777 -2.016 310 HA TRP 45 HA TRP 45 5.581 4.218 -2.278 311 HB2 TRP 45 1HB TRP 45 4.166 6.259 -1.739 312 HB3 TRP 45 2HB TRP 45 3.990 6.486 -3.476 313 HD1 TRP 45 HD TRP 45 1.739 5.595 -4.272 314 HE1 TRP 45 1HE TRP 45 0.214 3.610 -3.675 315 HE3 TRP 45 3HE TRP 45 4.537 3.518 -0.529 316 HZ2 TRP 45 2HZ TRP 45 0.198 1.449 -1.858 317 HZ3 TRP 45 3HZ TRP 45 3.695 1.494 0.586 318 HH2 TRP 45 HH TRP 45 1.571 0.482 -0.065 319 H GLU 46 H GLU 46 6.258 6.443 -4.924 320 HA GLU 46 HA GLU 46 5.296 4.748 -6.993 321 HB2 GLU 46 1HB GLU 46 7.150 7.123 -6.970 322 HB3 GLU 46 2HB GLU 46 6.764 6.255 -8.449 323 HG2 GLU 46 1HG GLU 46 4.622 7.018 -8.512 324 HG3 GLU 46 2HG GLU 46 4.511 7.182 -6.760 325 H GLU 47 H GLU 47 8.576 5.470 -5.808 326 HA GLU 47 HA GLU 47 10.081 3.921 -7.482 327 HB2 GLU 47 1HB GLU 47 10.425 4.321 -4.508 328 HB3 GLU 47 2HB GLU 47 11.651 3.619 -5.553 329 HG2 GLU 47 1HG GLU 47 11.252 5.862 -6.902 330 HG3 GLU 47 2HG GLU 47 10.736 6.426 -5.314 331 H LEU 48 H LEU 48 8.229 2.852 -4.670 332 HA LEU 48 HA LEU 48 9.119 0.213 -4.540 333 HB2 LEU 48 1HB LEU 48 7.686 1.392 -2.870 334 HB3 LEU 48 2HB LEU 48 6.323 1.181 -3.968 335 HG LEU 48 HG LEU 48 6.516 -1.249 -3.738 336 HD11 LEU 48 1HD1 LEU 48 8.126 -1.522 -1.460 337 HD12 LEU 48 2HD1 LEU 48 9.059 -0.563 -2.607 338 HD13 LEU 48 3HD1 LEU 48 8.435 -2.143 -3.083 339 HD21 LEU 48 1HD2 LEU 48 6.099 -1.246 -1.144 340 HD22 LEU 48 2HD2 LEU 48 4.954 -0.482 -2.248 341 HD23 LEU 48 3HD2 LEU 48 6.121 0.504 -1.364 342 H SER 49 H SER 49 6.419 1.609 -6.377 343 HA SER 49 HA SER 49 5.355 -0.703 -7.457 344 HB2 SER 49 1HB SER 49 4.254 0.660 -9.009 345 HB3 SER 49 2HB SER 49 4.579 1.767 -7.676 346 HG SER 49 HG SER 49 5.509 2.926 -9.161 347 H LYS 50 H LYS 50 8.249 1.041 -8.350 348 HA LYS 50 HA LYS 50 8.647 -0.497 -10.770 349 HB2 LYS 50 1HB LYS 50 10.429 1.496 -9.358 350 HB3 LYS 50 2HB LYS 50 10.785 0.760 -10.914 351 HG2 LYS 50 1HG LYS 50 8.909 1.841 -11.929 352 HG3 LYS 50 2HG LYS 50 8.346 2.435 -10.366 353 HD2 LYS 50 1HD LYS 50 10.677 3.575 -10.250 354 HD3 LYS 50 2HD LYS 50 10.696 3.322 -11.997 355 HE2 LYS 50 1HE LYS 50 8.533 4.514 -12.149 356 HE3 LYS 50 2HE LYS 50 8.617 4.833 -10.418 357 HZ1 LYS 50 1HZ LYS 50 9.708 6.346 -12.463 358 HZ2 LYS 50 2HZ LYS 50 11.019 5.638 -11.664 359 HZ3 LYS 50 3HZ LYS 50 9.907 6.574 -10.799 360 H LYS 51 H LYS 51 8.552 -1.770 -8.048 361 HA LYS 51 HA LYS 51 11.250 -2.925 -7.935 362 HB2 LYS 51 1HB LYS 51 8.974 -3.076 -5.949 363 HB3 LYS 51 2HB LYS 51 10.553 -3.819 -5.735 364 HG2 LYS 51 1HG LYS 51 10.198 -0.865 -6.139 365 HG3 LYS 51 2HG LYS 51 10.164 -1.626 -4.547 366 HD2 LYS 51 1HD LYS 51 12.448 -2.018 -6.465 367 HD3 LYS 51 2HD LYS 51 12.394 -0.668 -5.329 368 HE2 LYS 51 1HE LYS 51 12.222 -2.246 -3.467 369 HE3 LYS 51 2HE LYS 51 12.268 -3.594 -4.603 370 HZ1 LYS 51 1HZ LYS 51 14.451 -1.636 -4.655 371 HZ2 LYS 51 2HZ LYS 51 14.478 -3.287 -5.020 372 HZ3 LYS 51 3HZ LYS 51 14.424 -2.778 -3.407 373 H GLU 52 H GLU 52 11.398 -5.277 -7.535 374 HA GLU 52 HA GLU 52 9.176 -6.785 -8.732 375 HB2 GLU 52 1HB GLU 52 12.025 -7.493 -9.354 376 HB3 GLU 52 2HB GLU 52 10.561 -7.946 -10.216 377 HG2 GLU 52 1HG GLU 52 11.277 -5.069 -10.093 378 HG3 GLU 52 2HG GLU 52 12.219 -6.122 -11.146 379 H PHE 53 H PHE 53 8.530 -7.664 -6.797 380 HA PHE 53 HA PHE 53 10.272 -8.739 -4.853 381 HB2 PHE 53 1HB PHE 53 7.398 -9.545 -5.318 382 HB3 PHE 53 2HB PHE 53 8.304 -9.644 -3.813 383 HD1 PHE 53 1HD PHE 53 6.719 -7.342 -6.211 384 HD2 PHE 53 2HD PHE 53 8.515 -7.772 -2.376 385 HE1 PHE 53 1HE PHE 53 5.914 -5.102 -5.587 386 HE2 PHE 53 2HE PHE 53 7.712 -5.533 -1.745 387 HZ PHE 53 HZ PHE 53 6.409 -4.196 -3.351 388 HA PRO 54 HA PRO 54 11.367 -12.407 -7.176 389 HB2 PRO 54 1HB PRO 54 13.157 -13.323 -5.353 390 HB3 PRO 54 2HB PRO 54 13.527 -12.024 -6.492 391 HG2 PRO 54 1HG PRO 54 12.724 -11.847 -3.614 392 HG3 PRO 54 2HG PRO 54 13.975 -10.941 -4.484 393 HD2 PRO 54 1HD PRO 54 11.537 -9.899 -3.938 394 HD3 PRO 54 2HD PRO 54 12.453 -9.470 -5.397 395 H GLY 55 H GLY 55 10.926 -14.607 -7.004 396 HA2 GLY 55 1HA GLY 55 9.447 -16.289 -6.371 397 HA3 GLY 55 2HA GLY 55 10.468 -16.244 -4.942 398 H LEU 56 H LEU 56 8.294 -13.662 -5.910 399 HA LEU 56 HA LEU 56 6.554 -14.342 -3.633 400 HB2 LEU 56 1HB LEU 56 7.820 -11.747 -4.382 401 HB3 LEU 56 2HB LEU 56 6.245 -11.738 -3.591 402 HG LEU 56 HG LEU 56 8.766 -12.954 -2.461 403 HD11 LEU 56 1HD1 LEU 56 7.422 -10.311 -2.089 404 HD12 LEU 56 2HD1 LEU 56 9.133 -10.677 -2.303 405 HD13 LEU 56 3HD1 LEU 56 8.341 -11.040 -0.771 406 HD21 LEU 56 1HD2 LEU 56 7.501 -13.941 -0.928 407 HD22 LEU 56 2HD2 LEU 56 6.079 -13.484 -1.868 408 HD23 LEU 56 3HD2 LEU 56 6.661 -12.429 -0.579 409 H ALA 57 H ALA 57 4.354 -13.735 -3.820 410 HA ALA 57 HA ALA 57 3.229 -14.112 -6.363 411 HB1 ALA 57 1HB ALA 57 1.536 -12.725 -4.405 412 HB2 ALA 57 2HB ALA 57 1.270 -14.241 -5.270 413 HB3 ALA 57 3HB ALA 57 2.280 -14.215 -3.825 414 H GLY 58 H GLY 58 2.047 -12.682 -7.708 415 HA2 GLY 58 1HA GLY 58 3.264 -10.323 -8.406 416 HA3 GLY 58 2HA GLY 58 1.583 -10.691 -8.765 417 H VAL 59 H VAL 59 3.748 -8.837 -6.858 418 HA VAL 59 HA VAL 59 1.687 -7.901 -5.038 419 HB VAL 59 HB VAL 59 4.543 -6.962 -5.335 420 HG11 VAL 59 1HG1 VAL 59 2.933 -6.640 -2.852 421 HG12 VAL 59 2HG1 VAL 59 4.262 -5.659 -3.471 422 HG13 VAL 59 3HG1 VAL 59 2.658 -5.527 -4.190 423 HG21 VAL 59 1HG2 VAL 59 4.835 -9.125 -4.624 424 HG22 VAL 59 2HG2 VAL 59 4.653 -8.297 -3.076 425 HG23 VAL 59 3HG2 VAL 59 3.290 -9.172 -3.775 426 H LYS 60 H LYS 60 0.566 -6.056 -5.228 427 HA LYS 60 HA LYS 60 1.211 -4.300 -7.504 428 HB2 LYS 60 1HB LYS 60 -1.419 -5.027 -6.226 429 HB3 LYS 60 2HB LYS 60 -1.251 -3.625 -7.274 430 HG2 LYS 60 1HG LYS 60 -0.597 -5.021 -9.122 431 HG3 LYS 60 2HG LYS 60 -0.589 -6.449 -8.083 432 HD2 LYS 60 1HD LYS 60 -3.065 -4.786 -8.398 433 HD3 LYS 60 2HD LYS 60 -2.644 -6.019 -9.589 434 HE2 LYS 60 1HE LYS 60 -2.379 -7.540 -7.477 435 HE3 LYS 60 2HE LYS 60 -3.409 -6.328 -6.719 436 HZ1 LYS 60 1HZ LYS 60 -4.902 -7.875 -7.530 437 HZ2 LYS 60 2HZ LYS 60 -4.034 -8.142 -8.958 438 HZ3 LYS 60 3HZ LYS 60 -4.903 -6.704 -8.752 439 H ILE 61 H ILE 61 0.908 -2.029 -7.244 440 HA ILE 61 HA ILE 61 0.902 -1.119 -4.443 441 HB ILE 61 HB ILE 61 2.646 -0.041 -6.662 442 HG12 ILE 61 1HG1 ILE 61 3.442 -2.193 -5.803 443 HG13 ILE 61 2HG1 ILE 61 4.513 -0.889 -5.301 444 HG21 ILE 61 1HG2 ILE 61 3.525 0.956 -4.228 445 HG22 ILE 61 2HG2 ILE 61 2.648 1.842 -5.474 446 HG23 ILE 61 3HG2 ILE 61 1.768 1.085 -4.146 447 HD11 ILE 61 1HD1 ILE 61 4.291 -2.218 -3.410 448 HD12 ILE 61 2HD1 ILE 61 3.169 -0.887 -3.126 449 HD13 ILE 61 3HD1 ILE 61 2.562 -2.454 -3.661 450 H ALA 62 H ALA 62 -0.850 0.073 -4.117 451 HA ALA 62 HA ALA 62 -1.650 1.991 -6.204 452 HB1 ALA 62 1HB ALA 62 -3.122 -0.219 -5.484 453 HB2 ALA 62 2HB ALA 62 -3.855 1.079 -4.540 454 HB3 ALA 62 3HB ALA 62 -3.741 1.220 -6.294 455 H GLU 63 H GLU 63 -3.433 3.517 -5.088 456 HA GLU 63 HA GLU 63 -2.468 4.299 -2.429 457 HB2 GLU 63 1HB GLU 63 -1.875 6.414 -3.027 458 HB3 GLU 63 2HB GLU 63 -1.560 5.625 -4.566 459 HG2 GLU 63 1HG GLU 63 -4.040 7.154 -3.814 460 HG3 GLU 63 2HG GLU 63 -2.765 7.687 -4.908 461 H VAL 64 H VAL 64 -3.932 6.114 -1.534 462 HA VAL 64 HA VAL 64 -6.647 6.140 -2.485 463 HB VAL 64 HB VAL 64 -5.986 4.718 0.095 464 HG11 VAL 64 1HG1 VAL 64 -8.653 5.643 -0.965 465 HG12 VAL 64 2HG1 VAL 64 -8.439 4.534 0.391 466 HG13 VAL 64 3HG1 VAL 64 -7.848 6.192 0.504 467 HG21 VAL 64 1HG2 VAL 64 -5.826 3.241 -1.770 468 HG22 VAL 64 2HG2 VAL 64 -7.358 2.907 -0.964 469 HG23 VAL 64 3HG2 VAL 64 -7.334 3.848 -2.455 470 H ASP 65 H ASP 65 -7.359 8.127 -2.134 471 HA ASP 65 HA ASP 65 -5.999 9.894 -0.320 472 HB2 ASP 65 1HB ASP 65 -7.747 11.545 -1.110 473 HB3 ASP 65 2HB ASP 65 -6.733 10.856 -2.373 474 H CYS 66 H CYS 66 -6.670 10.660 1.620 475 HA CYS 66 HA CYS 66 -8.874 9.242 2.889 476 HB2 CYS 66 1HB CYS 66 -6.586 10.909 3.885 477 HB3 CYS 66 2HB CYS 66 -7.970 10.597 4.929 478 H THR 67 H THR 67 -9.126 11.533 0.892 479 HA THR 67 HA THR 67 -10.836 13.262 2.560 480 HB THR 67 HB THR 67 -10.500 15.027 0.821 481 HG1 THR 67 1HG THR 67 -9.722 14.105 -0.967 482 HG21 THR 67 1HG2 THR 67 -8.831 15.867 2.060 483 HG22 THR 67 2HG2 THR 67 -7.740 14.550 1.633 484 HG23 THR 67 3HG2 THR 67 -8.892 14.348 2.952 485 H ALA 68 H ALA 68 -10.482 11.568 -0.503 486 HA ALA 68 HA ALA 68 -13.298 12.119 -1.134 487 HB1 ALA 68 1HB ALA 68 -12.087 10.700 -3.248 488 HB2 ALA 68 2HB ALA 68 -12.565 12.398 -3.209 489 HB3 ALA 68 3HB ALA 68 -10.934 11.929 -2.727 490 H GLU 69 H GLU 69 -11.028 9.561 -0.412 491 HA GLU 69 HA GLU 69 -13.170 7.569 -0.711 492 HB2 GLU 69 1HB GLU 69 -10.174 7.209 -0.548 493 HB3 GLU 69 2HB GLU 69 -11.333 5.891 -0.638 494 HG2 GLU 69 1HG GLU 69 -12.087 6.719 -2.819 495 HG3 GLU 69 2HG GLU 69 -10.886 8.007 -2.731 496 H ARG 70 H ARG 70 -12.833 9.447 1.544 497 HA ARG 70 HA ARG 70 -11.712 8.530 3.825 498 HB2 ARG 70 1HB ARG 70 -14.372 9.832 3.345 499 HB3 ARG 70 2HB ARG 70 -13.894 9.370 4.973 500 HG2 ARG 70 1HG ARG 70 -11.877 10.758 4.754 501 HG3 ARG 70 2HG ARG 70 -12.415 11.253 3.148 502 HD2 ARG 70 1HD ARG 70 -13.153 12.997 4.479 503 HD3 ARG 70 2HD ARG 70 -14.584 11.973 4.366 504 HE ARG 70 HE ARG 70 -12.906 11.435 6.649 505 HH11 ARG 70 2HH1 ARG 70 -15.569 13.294 5.394 506 HH12 ARG 70 1HH1 ARG 70 -16.255 13.608 6.955 507 HH21 ARG 70 2HH2 ARG 70 -13.799 11.841 8.708 508 HH22 ARG 70 1HH2 ARG 70 -15.246 12.781 8.838 509 H ASN 71 H ASN 71 -14.896 7.485 2.616 510 HA ASN 71 HA ASN 71 -15.806 5.788 4.454 511 HB2 ASN 71 1HB ASN 71 -15.691 5.544 1.479 512 HB3 ASN 71 2HB ASN 71 -16.286 4.172 2.408 513 HD21 ASN 71 1HD2 ASN 71 -18.339 4.426 1.492 514 HD22 ASN 71 2HD2 ASN 71 -19.408 5.682 2.003 515 H ILE 72 H ILE 72 -13.010 5.161 2.406 516 HA ILE 72 HA ILE 72 -12.618 2.509 3.493 517 HB ILE 72 HB ILE 72 -10.851 4.153 1.677 518 HG12 ILE 72 1HG1 ILE 72 -12.666 1.823 1.025 519 HG13 ILE 72 2HG1 ILE 72 -13.075 3.511 0.741 520 HG21 ILE 72 1HG2 ILE 72 -10.673 1.190 2.107 521 HG22 ILE 72 2HG2 ILE 72 -9.494 2.275 1.371 522 HG23 ILE 72 3HG2 ILE 72 -9.774 2.328 3.111 523 HD11 ILE 72 1HD1 ILE 72 -11.746 1.758 -0.977 524 HD12 ILE 72 2HD1 ILE 72 -12.009 3.489 -1.193 525 HD13 ILE 72 3HD1 ILE 72 -10.530 2.911 -0.426 526 H CYS 73 H CYS 73 -10.670 5.501 3.448 527 HA CYS 73 HA CYS 73 -8.652 4.804 5.141 528 HB2 CYS 73 1HB CYS 73 -10.048 7.371 4.574 529 HB3 CYS 73 2HB CYS 73 -8.954 7.329 5.953 530 H SER 74 H SER 74 -11.787 6.171 6.133 531 HA SER 74 HA SER 74 -11.357 6.146 8.884 532 HB2 SER 74 1HB SER 74 -13.266 7.280 7.809 533 HB3 SER 74 2HB SER 74 -13.973 5.711 7.420 534 HG SER 74 HG SER 74 -14.347 7.076 9.597 535 H LYS 75 H LYS 75 -12.618 3.616 6.757 536 HA LYS 75 HA LYS 75 -13.340 1.754 8.710 537 HB2 LYS 75 1HB LYS 75 -14.022 1.438 6.425 538 HB3 LYS 75 2HB LYS 75 -12.350 1.360 5.884 539 HG2 LYS 75 1HG LYS 75 -12.287 -0.676 7.576 540 HG3 LYS 75 2HG LYS 75 -14.015 -0.696 7.217 541 HD2 LYS 75 1HD LYS 75 -13.261 -0.576 4.745 542 HD3 LYS 75 2HD LYS 75 -11.693 -1.101 5.365 543 HE2 LYS 75 1HE LYS 75 -14.237 -2.563 6.013 544 HE3 LYS 75 2HE LYS 75 -13.309 -2.907 4.555 545 HZ1 LYS 75 1HZ LYS 75 -11.671 -3.896 5.721 546 HZ2 LYS 75 2HZ LYS 75 -12.901 -4.150 6.854 547 HZ3 LYS 75 3HZ LYS 75 -11.820 -2.865 7.054 548 H TYR 76 H TYR 76 -10.222 2.547 7.332 549 HA TYR 76 HA TYR 76 -8.950 0.339 8.767 550 HB2 TYR 76 1HB TYR 76 -7.875 2.324 6.757 551 HB3 TYR 76 2HB TYR 76 -6.887 1.109 7.560 552 HD1 TYR 76 1HD TYR 76 -8.050 -1.357 7.420 553 HD2 TYR 76 2HD TYR 76 -8.527 1.805 4.615 554 HE1 TYR 76 1HE TYR 76 -8.645 -2.995 5.684 555 HE2 TYR 76 2HE TYR 76 -9.124 0.177 2.870 556 HH TYR 76 HH TYR 76 -10.182 -2.651 3.280 557 H SER 77 H SER 77 -10.123 2.816 10.017 558 HA SER 77 HA SER 77 -9.560 4.485 11.500 559 HB2 SER 77 1HB SER 77 -9.393 2.315 12.768 560 HB3 SER 77 2HB SER 77 -7.652 2.359 12.494 561 HG SER 77 HG SER 77 -9.166 3.740 14.290 562 H VAL 78 H VAL 78 -8.215 4.949 9.154 563 HA VAL 78 HA VAL 78 -5.409 5.388 9.738 564 HB VAL 78 HB VAL 78 -6.962 6.289 7.310 565 HG11 VAL 78 1HG1 VAL 78 -4.449 6.994 8.110 566 HG12 VAL 78 2HG1 VAL 78 -4.128 5.611 7.061 567 HG13 VAL 78 3HG1 VAL 78 -5.023 7.000 6.443 568 HG21 VAL 78 1HG2 VAL 78 -6.371 3.651 8.145 569 HG22 VAL 78 2HG2 VAL 78 -7.059 4.182 6.611 570 HG23 VAL 78 3HG2 VAL 78 -5.311 4.028 6.788 571 H ARG 79 H ARG 79 -5.000 7.009 11.116 572 HA ARG 79 HA ARG 79 -6.230 9.624 10.548 573 HB2 ARG 79 1HB ARG 79 -6.243 10.129 12.913 574 HB3 ARG 79 2HB ARG 79 -7.112 8.625 12.636 575 HG2 ARG 79 1HG ARG 79 -4.226 8.472 13.320 576 HG3 ARG 79 2HG ARG 79 -5.374 8.882 14.596 577 HD2 ARG 79 1HD ARG 79 -6.554 6.852 14.316 578 HD3 ARG 79 2HD ARG 79 -5.736 6.502 12.794 579 HE ARG 79 HE ARG 79 -4.024 5.575 13.985 580 HH11 ARG 79 2HH1 ARG 79 -5.890 7.611 16.105 581 HH12 ARG 79 1HH1 ARG 79 -5.028 7.137 17.531 582 HH21 ARG 79 2HH2 ARG 79 -2.882 4.943 15.856 583 HH22 ARG 79 1HH2 ARG 79 -3.317 5.620 17.389 584 H GLY 80 H GLY 80 -3.382 7.792 11.157 585 HA2 GLY 80 1HA GLY 80 -1.780 10.268 11.270 586 HA3 GLY 80 2HA GLY 80 -1.258 8.714 11.900 587 H TYR 81 H TYR 81 -1.582 10.709 9.086 588 HA TYR 81 HA TYR 81 -0.550 8.628 7.327 589 HB2 TYR 81 1HB TYR 81 -0.918 11.438 6.402 590 HB3 TYR 81 2HB TYR 81 -1.231 9.928 5.555 591 HD1 TYR 81 1HD TYR 81 -3.017 8.541 7.438 592 HD2 TYR 81 2HD TYR 81 -2.913 12.630 6.270 593 HE1 TYR 81 1HE TYR 81 -5.412 8.743 7.957 594 HE2 TYR 81 2HE TYR 81 -5.308 12.845 6.788 595 HH TYR 81 HH TYR 81 -7.083 11.853 7.737 596 HA PRO 82 HA PRO 82 0.416 8.891 5.170 597 HB2 PRO 82 1HB PRO 82 2.546 7.355 4.482 598 HB3 PRO 82 2HB PRO 82 2.339 9.018 3.918 599 HG2 PRO 82 1HG PRO 82 4.024 7.974 6.163 600 HG3 PRO 82 2HG PRO 82 4.424 9.191 4.937 601 HD2 PRO 82 1HD PRO 82 3.681 9.850 7.455 602 HD3 PRO 82 2HD PRO 82 3.297 10.865 6.050 603 H THR 83 H THR 83 -0.311 6.746 4.956 604 HA THR 83 HA THR 83 0.330 4.952 7.201 605 HB THR 83 HB THR 83 -2.434 5.217 6.015 606 HG1 THR 83 1HG THR 83 -1.700 6.209 8.559 607 HG21 THR 83 1HG2 THR 83 -1.160 3.468 7.973 608 HG22 THR 83 2HG2 THR 83 -2.689 3.279 7.113 609 HG23 THR 83 3HG2 THR 83 -2.619 4.244 8.587 610 H LEU 84 H LEU 84 0.542 2.811 6.725 611 HA LEU 84 HA LEU 84 -0.013 1.967 3.963 612 HB2 LEU 84 1HB LEU 84 2.378 0.914 5.400 613 HB3 LEU 84 2HB LEU 84 2.066 1.017 3.668 614 HG LEU 84 HG LEU 84 2.550 3.473 5.326 615 HD11 LEU 84 1HD1 LEU 84 4.544 1.560 4.168 616 HD12 LEU 84 2HD1 LEU 84 4.509 2.296 5.770 617 HD13 LEU 84 3HD1 LEU 84 4.918 3.273 4.359 618 HD21 LEU 84 1HD2 LEU 84 2.050 4.411 3.371 619 HD22 LEU 84 2HD2 LEU 84 2.079 2.859 2.533 620 HD23 LEU 84 3HD2 LEU 84 3.576 3.762 2.770 621 H LEU 85 H LEU 85 -0.846 -0.052 3.723 622 HA LEU 85 HA LEU 85 -0.840 -1.898 5.975 623 HB2 LEU 85 1HB LEU 85 -3.345 -0.794 4.721 624 HB3 LEU 85 2HB LEU 85 -3.310 -2.241 5.727 625 HG LEU 85 HG LEU 85 -2.307 0.379 6.781 626 HD11 LEU 85 1HD1 LEU 85 -5.114 -0.441 6.283 627 HD12 LEU 85 2HD1 LEU 85 -4.384 1.165 6.290 628 HD13 LEU 85 3HD1 LEU 85 -4.746 0.355 7.813 629 HD21 LEU 85 1HD2 LEU 85 -1.892 -1.792 7.964 630 HD22 LEU 85 2HD2 LEU 85 -3.638 -1.940 8.169 631 HD23 LEU 85 3HD2 LEU 85 -2.774 -0.589 8.905 632 H LEU 86 H LEU 86 -0.591 -3.936 5.309 633 HA LEU 86 HA LEU 86 -0.658 -4.478 2.450 634 HB2 LEU 86 1HB LEU 86 1.276 -5.154 3.838 635 HB3 LEU 86 2HB LEU 86 0.218 -6.247 4.730 636 HG LEU 86 HG LEU 86 -0.197 -7.442 2.549 637 HD11 LEU 86 1HD1 LEU 86 0.434 -5.814 0.947 638 HD12 LEU 86 2HD1 LEU 86 1.622 -7.112 0.843 639 HD13 LEU 86 3HD1 LEU 86 2.026 -5.613 1.677 640 HD21 LEU 86 1HD2 LEU 86 1.400 -8.172 4.346 641 HD22 LEU 86 2HD2 LEU 86 2.689 -7.415 3.411 642 HD23 LEU 86 3HD2 LEU 86 1.773 -8.760 2.726 643 H PHE 87 H PHE 87 -1.866 -6.120 1.493 644 HA PHE 87 HA PHE 87 -3.976 -7.324 3.148 645 HB2 PHE 87 1HB PHE 87 -4.350 -6.018 0.445 646 HB3 PHE 87 2HB PHE 87 -5.582 -6.953 1.288 647 HD1 PHE 87 1HD PHE 87 -3.556 -3.874 1.412 648 HD2 PHE 87 2HD PHE 87 -6.877 -5.998 3.018 649 HE1 PHE 87 1HE PHE 87 -4.283 -1.840 2.591 650 HE2 PHE 87 2HE PHE 87 -7.610 -3.969 4.198 651 HZ PHE 87 HZ PHE 87 -6.314 -1.885 3.985 652 H ARG 88 H ARG 88 -4.158 -9.453 2.892 653 HA ARG 88 HA ARG 88 -3.249 -10.672 0.380 654 HB2 ARG 88 1HB ARG 88 -1.385 -10.980 1.840 655 HB3 ARG 88 2HB ARG 88 -2.427 -11.465 3.172 656 HG2 ARG 88 1HG ARG 88 -1.608 -13.489 2.492 657 HG3 ARG 88 2HG ARG 88 -3.101 -13.402 1.555 658 HD2 ARG 88 1HD ARG 88 -1.485 -12.222 -0.189 659 HD3 ARG 88 2HD ARG 88 -0.276 -13.177 0.667 660 HE ARG 88 HE ARG 88 -2.618 -14.635 -0.211 661 HH11 ARG 88 2HH1 ARG 88 0.639 -13.634 -0.931 662 HH12 ARG 88 1HH1 ARG 88 0.913 -14.902 -2.080 663 HH21 ARG 88 2HH2 ARG 88 -2.268 -16.308 -1.722 664 HH22 ARG 88 1HH2 ARG 88 -0.742 -16.422 -2.529 665 H GLY 89 H GLY 89 -4.667 -12.083 -0.425 666 HA2 GLY 89 1HA GLY 89 -6.253 -13.793 -0.425 667 HA3 GLY 89 2HA GLY 89 -6.353 -13.667 1.325 668 H GLY 90 H GLY 90 -6.651 -10.604 0.668 669 HA2 GLY 90 1HA GLY 90 -8.551 -9.447 -0.440 670 HA3 GLY 90 2HA GLY 90 -9.553 -10.772 0.134 671 H LYS 91 H LYS 91 -7.077 -9.634 2.236 672 HA LYS 91 HA LYS 91 -8.697 -7.669 3.571 673 HB2 LYS 91 1HB LYS 91 -8.364 -10.432 4.699 674 HB3 LYS 91 2HB LYS 91 -8.546 -9.047 5.769 675 HG2 LYS 91 1HG LYS 91 -10.661 -8.509 4.489 676 HG3 LYS 91 2HG LYS 91 -10.505 -10.107 3.757 677 HD2 LYS 91 1HD LYS 91 -11.939 -10.420 5.591 678 HD3 LYS 91 2HD LYS 91 -10.367 -11.000 6.144 679 HE2 LYS 91 1HE LYS 91 -10.012 -8.693 7.122 680 HE3 LYS 91 2HE LYS 91 -11.717 -8.388 6.789 681 HZ1 LYS 91 1HZ LYS 91 -12.364 -9.680 8.485 682 HZ2 LYS 91 2HZ LYS 91 -10.796 -9.432 9.071 683 HZ3 LYS 91 3HZ LYS 91 -11.166 -10.845 8.216 684 H LYS 92 H LYS 92 -7.578 -6.624 5.321 685 HA LYS 92 HA LYS 92 -4.896 -6.121 4.845 686 HB2 LYS 92 1HB LYS 92 -4.903 -4.810 6.806 687 HB3 LYS 92 2HB LYS 92 -6.556 -4.746 6.209 688 HG2 LYS 92 1HG LYS 92 -7.115 -6.576 7.826 689 HG3 LYS 92 2HG LYS 92 -5.498 -6.374 8.505 690 HD2 LYS 92 1HD LYS 92 -6.089 -3.929 8.822 691 HD3 LYS 92 2HD LYS 92 -7.753 -4.380 8.443 692 HE2 LYS 92 1HE LYS 92 -7.450 -4.341 10.838 693 HE3 LYS 92 2HE LYS 92 -7.701 -6.002 10.304 694 HZ1 LYS 92 1HZ LYS 92 -5.698 -6.599 11.032 695 HZ2 LYS 92 2HZ LYS 92 -5.671 -5.138 11.882 696 HZ3 LYS 92 3HZ LYS 92 -4.934 -5.246 10.364 697 H VAL 93 H VAL 93 -3.000 -6.583 6.122 698 HA VAL 93 HA VAL 93 -3.140 -9.188 7.499 699 HB VAL 93 HB VAL 93 -0.845 -8.170 5.816 700 HG11 VAL 93 1HG1 VAL 93 -1.212 -10.936 6.931 701 HG12 VAL 93 2HG1 VAL 93 0.241 -10.215 6.235 702 HG13 VAL 93 3HG1 VAL 93 -0.349 -9.673 7.808 703 HG21 VAL 93 1HG2 VAL 93 -1.466 -9.977 4.261 704 HG22 VAL 93 2HG2 VAL 93 -2.895 -10.308 5.240 705 HG23 VAL 93 3HG2 VAL 93 -2.732 -8.759 4.412 706 H SER 94 H SER 94 -0.850 -6.479 7.076 707 HA SER 94 HA SER 94 -0.755 -6.089 9.954 708 HB2 SER 94 1HB SER 94 0.969 -7.864 9.333 709 HB3 SER 94 2HB SER 94 1.825 -6.588 8.467 710 HG SER 94 HG SER 94 1.507 -6.989 11.199 711 H GLU 95 H GLU 95 0.533 -4.165 10.546 712 HA GLU 95 HA GLU 95 0.337 -2.142 8.425 713 HB2 GLU 95 1HB GLU 95 -0.919 -1.943 10.670 714 HB3 GLU 95 2HB GLU 95 0.652 -1.554 11.356 715 HG2 GLU 95 1HG GLU 95 0.854 0.386 9.989 716 HG3 GLU 95 2HG GLU 95 -0.576 -0.056 9.058 717 H HIS 96 H HIS 96 2.097 -1.156 7.658 718 HA HIS 96 HA HIS 96 4.685 -1.862 8.817 719 HB2 HIS 96 1HB HIS 96 4.523 -2.261 6.455 720 HB3 HIS 96 2HB HIS 96 3.910 -0.635 6.167 721 HD1 HIS 96 1HD HIS 96 6.919 -1.383 8.313 722 HD2 HIS 96 2HD HIS 96 6.001 0.232 4.596 723 HE1 HIS 96 1HE HIS 96 9.067 -0.393 7.461 724 HE2 HIS 96 2HE HIS 96 8.469 0.652 5.249 725 H SER 97 H SER 97 5.436 -0.526 10.321 726 HA SER 97 HA SER 97 5.297 2.365 9.814 727 HB2 SER 97 1HB SER 97 4.458 0.880 12.279 728 HB3 SER 97 2HB SER 97 5.109 2.513 12.425 729 HG SER 97 HG SER 97 2.714 2.174 12.101 730 H GLY 98 H GLY 98 7.484 0.928 9.114 731 HA2 GLY 98 1HA GLY 98 9.415 1.530 11.270 732 HA3 GLY 98 2HA GLY 98 9.613 0.193 10.147 733 H GLY 99 H GLY 99 9.385 3.734 10.292 734 HA2 GLY 99 1HA GLY 99 10.781 5.277 9.253 735 HA3 GLY 99 2HA GLY 99 11.590 3.951 8.431 736 H ARG 100 H ARG 100 9.106 2.834 7.377 737 HA ARG 100 HA ARG 100 7.869 2.942 5.472 738 HB2 ARG 100 1HB ARG 100 7.749 5.867 6.226 739 HB3 ARG 100 2HB ARG 100 6.764 5.120 4.976 740 HG2 ARG 100 1HG ARG 100 6.026 3.516 6.878 741 HG3 ARG 100 2HG ARG 100 6.629 4.791 7.938 742 HD2 ARG 100 1HD ARG 100 5.179 6.383 6.580 743 HD3 ARG 100 2HD ARG 100 4.422 4.940 5.904 744 HE ARG 100 HE ARG 100 3.253 4.717 7.846 745 HH11 ARG 100 2HH1 ARG 100 6.050 6.696 8.459 746 HH12 ARG 100 1HH1 ARG 100 5.601 7.052 10.094 747 HH21 ARG 100 2HH2 ARG 100 2.650 5.179 9.997 748 HH22 ARG 100 1HH2 ARG 100 3.668 6.188 10.968 749 H ASP 101 H ASP 101 10.798 3.334 5.377 750 HA ASP 101 HA ASP 101 11.232 5.144 3.157 751 HB2 ASP 101 1HB ASP 101 13.199 3.188 4.352 752 HB3 ASP 101 2HB ASP 101 13.559 4.615 3.384 753 H LEU 102 H LEU 102 12.401 4.365 1.202 754 HA LEU 102 HA LEU 102 10.946 2.610 -0.294 755 HB2 LEU 102 1HB LEU 102 12.510 4.027 -1.367 756 HB3 LEU 102 2HB LEU 102 13.858 3.338 -0.464 757 HG LEU 102 HG LEU 102 13.633 1.249 -1.719 758 HD11 LEU 102 1HD1 LEU 102 12.135 1.615 -3.879 759 HD12 LEU 102 2HD1 LEU 102 11.221 2.623 -2.758 760 HD13 LEU 102 3HD1 LEU 102 11.489 0.918 -2.392 761 HD21 LEU 102 1HD2 LEU 102 14.901 2.017 -3.408 762 HD22 LEU 102 2HD2 LEU 102 14.757 3.563 -2.570 763 HD23 LEU 102 3HD2 LEU 102 13.688 3.190 -3.925 764 H ASP 103 H ASP 103 13.984 1.829 1.399 765 HA ASP 103 HA ASP 103 13.930 -0.926 0.776 766 HB2 ASP 103 1HB ASP 103 15.413 0.764 2.751 767 HB3 ASP 103 2HB ASP 103 15.478 -0.990 2.902 768 H SER 104 H SER 104 13.048 0.820 3.752 769 HA SER 104 HA SER 104 12.234 -1.357 5.268 770 HB2 SER 104 1HB SER 104 11.055 1.433 5.289 771 HB3 SER 104 2HB SER 104 10.914 0.243 6.582 772 HG SER 104 HG SER 104 12.955 0.570 7.134 773 H LEU 105 H LEU 105 10.730 0.095 2.540 774 HA LEU 105 HA LEU 105 8.091 -0.932 3.094 775 HB2 LEU 105 1HB LEU 105 9.349 0.443 0.741 776 HB3 LEU 105 2HB LEU 105 7.720 -0.224 0.664 777 HG LEU 105 HG LEU 105 8.502 1.795 2.746 778 HD11 LEU 105 1HD1 LEU 105 7.104 3.228 0.919 779 HD12 LEU 105 2HD1 LEU 105 8.070 2.190 -0.128 780 HD13 LEU 105 3HD1 LEU 105 8.861 3.227 1.058 781 HD21 LEU 105 1HD2 LEU 105 6.275 0.252 2.473 782 HD22 LEU 105 2HD2 LEU 105 5.798 1.720 1.619 783 HD23 LEU 105 3HD2 LEU 105 6.330 1.809 3.299 784 H HIS 106 H HIS 106 10.821 -1.779 1.019 785 HA HIS 106 HA HIS 106 9.491 -3.948 -0.274 786 HB2 HIS 106 1HB HIS 106 11.555 -2.632 -1.081 787 HB3 HIS 106 2HB HIS 106 12.478 -3.684 -0.011 788 HD1 HIS 106 1HD HIS 106 13.428 -5.623 -1.193 789 HD2 HIS 106 2HD HIS 106 9.847 -4.393 -2.902 790 HE1 HIS 106 1HE HIS 106 13.053 -7.160 -3.146 791 HE2 HIS 106 2HE HIS 106 10.925 -6.343 -4.216 792 H ARG 107 H ARG 107 12.171 -3.925 2.086 793 HA ARG 107 HA ARG 107 12.304 -6.612 2.621 794 HB2 ARG 107 1HB ARG 107 13.267 -6.024 4.785 795 HB3 ARG 107 2HB ARG 107 13.879 -4.958 3.526 796 HG2 ARG 107 1HG ARG 107 13.440 -3.416 5.127 797 HG3 ARG 107 2HG ARG 107 11.864 -3.448 4.335 798 HD2 ARG 107 1HD ARG 107 11.491 -3.563 6.687 799 HD3 ARG 107 2HD ARG 107 11.148 -5.156 6.014 800 HE ARG 107 HE ARG 107 13.722 -5.380 6.768 801 HH11 ARG 107 2HH1 ARG 107 10.873 -4.242 8.415 802 HH12 ARG 107 1HH1 ARG 107 11.425 -4.732 9.983 803 HH21 ARG 107 2HH2 ARG 107 14.459 -6.030 8.827 804 HH22 ARG 107 1HH2 ARG 107 13.465 -5.748 10.215 805 H PHE 108 H PHE 108 10.012 -4.259 3.878 806 HA PHE 108 HA PHE 108 8.862 -5.793 5.908 807 HB2 PHE 108 1HB PHE 108 8.371 -3.436 5.721 808 HB3 PHE 108 2HB PHE 108 7.639 -3.671 4.138 809 HD1 PHE 108 1HD PHE 108 7.259 -4.490 7.730 810 HD2 PHE 108 2HD PHE 108 5.367 -4.173 3.930 811 HE1 PHE 108 1HE PHE 108 5.065 -4.808 8.799 812 HE2 PHE 108 2HE PHE 108 3.171 -4.490 4.992 813 HZ PHE 108 HZ PHE 108 3.017 -4.807 7.430 814 H VAL 109 H VAL 109 7.466 -5.229 2.674 815 HA VAL 109 HA VAL 109 5.486 -7.163 2.797 816 HB VAL 109 HB VAL 109 7.006 -6.183 0.377 817 HG11 VAL 109 1HG1 VAL 109 5.861 -8.375 0.031 818 HG12 VAL 109 2HG1 VAL 109 4.337 -7.582 0.431 819 HG13 VAL 109 3HG1 VAL 109 5.253 -7.070 -0.987 820 HG21 VAL 109 1HG2 VAL 109 5.783 -4.335 0.524 821 HG22 VAL 109 2HG2 VAL 109 4.295 -5.277 0.594 822 HG23 VAL 109 3HG2 VAL 109 5.171 -4.902 2.077 823 H LEU 110 H LEU 110 8.888 -7.493 2.034 824 HA LEU 110 HA LEU 110 8.822 -10.067 0.905 825 HB2 LEU 110 1HB LEU 110 10.984 -8.645 2.448 826 HB3 LEU 110 2HB LEU 110 11.218 -10.175 1.604 827 HG LEU 110 HG LEU 110 10.343 -7.659 0.201 828 HD11 LEU 110 1HD1 LEU 110 12.988 -8.147 -0.466 829 HD12 LEU 110 2HD1 LEU 110 12.938 -8.334 1.287 830 HD13 LEU 110 3HD1 LEU 110 12.378 -6.836 0.544 831 HD21 LEU 110 1HD2 LEU 110 10.353 -8.886 -1.658 832 HD22 LEU 110 2HD2 LEU 110 10.398 -10.300 -0.605 833 HD23 LEU 110 3HD2 LEU 110 11.898 -9.634 -1.252 834 H SER 111 H SER 111 8.887 -8.954 4.231 835 HA SER 111 HA SER 111 9.213 -11.656 5.255 836 HB2 SER 111 1HB SER 111 10.131 -9.378 6.253 837 HB3 SER 111 2HB SER 111 8.549 -9.344 7.030 838 HG SER 111 HG SER 111 10.628 -10.620 7.876 839 H GLN 112 H GLN 112 6.692 -9.466 4.475 840 HA GLN 112 HA GLN 112 4.711 -10.469 6.259 841 HB2 GLN 112 1HB GLN 112 4.494 -8.919 3.676 842 HB3 GLN 112 2HB GLN 112 3.117 -9.314 4.695 843 HG2 GLN 112 1HG GLN 112 5.296 -7.356 5.122 844 HG3 GLN 112 2HG GLN 112 3.570 -7.221 5.448 845 HE21 GLN 112 1HE2 GLN 112 2.968 -9.176 7.089 846 HE22 GLN 112 2HE2 GLN 112 3.891 -9.111 8.548 847 H ALA 113 H ALA 113 4.937 -10.798 2.711 848 HA ALA 113 HA ALA 113 3.052 -12.845 2.482 849 HB1 ALA 113 1HB ALA 113 3.418 -12.539 0.313 850 HB2 ALA 113 2HB ALA 113 4.687 -11.392 0.744 851 HB3 ALA 113 3HB ALA 113 5.088 -13.085 0.462 852 H LYS 114 H LYS 114 6.587 -13.216 2.151 853 HA LYS 114 HA LYS 114 6.614 -16.001 2.283 854 HB2 LYS 114 1HB LYS 114 8.568 -14.965 1.479 855 HB3 LYS 114 2HB LYS 114 8.690 -13.908 2.880 856 HG2 LYS 114 1HG LYS 114 8.862 -16.809 3.403 857 HG3 LYS 114 2HG LYS 114 10.213 -16.077 2.533 858 HD2 LYS 114 1HD LYS 114 9.156 -14.786 5.016 859 HD3 LYS 114 2HD LYS 114 10.246 -16.168 5.137 860 HE2 LYS 114 1HE LYS 114 10.882 -13.738 3.484 861 HE3 LYS 114 2HE LYS 114 11.311 -13.864 5.188 862 HZ1 LYS 114 1HZ LYS 114 12.788 -15.584 4.772 863 HZ2 LYS 114 2HZ LYS 114 13.036 -14.553 3.455 864 HZ3 LYS 114 3HZ LYS 114 12.110 -15.957 3.267 865 H ASP 115 H ASP 115 6.359 -17.410 3.889 866 HA ASP 115 HA ASP 115 5.924 -16.424 6.580 867 HB2 ASP 115 1HB ASP 115 5.766 -19.263 5.551 868 HB3 ASP 115 2HB ASP 115 5.129 -18.659 7.078 869 H GLU 116 H GLU 116 7.075 -17.055 8.410 870 HA GLU 116 HA GLU 116 9.522 -18.604 8.025 871 HB2 GLU 116 1HB GLU 116 10.640 -16.748 9.519 872 HB3 GLU 116 2HB GLU 116 10.564 -16.569 7.772 873 HG2 GLU 116 1HG GLU 116 8.656 -15.108 7.960 874 HG3 GLU 116 2HG GLU 116 8.602 -15.357 9.704 875 H LEU 117 H LEU 117 9.215 -20.207 9.431 876 HA LEU 117 HA LEU 117 7.606 -20.489 11.541 877 HB2 LEU 117 1HB LEU 117 9.377 -21.931 12.605 878 HB3 LEU 117 2HB LEU 117 8.956 -22.317 10.938 879 HG LEU 117 HG LEU 117 11.457 -22.290 11.750 880 HD11 LEU 117 1HD1 LEU 117 11.618 -22.761 9.590 881 HD12 LEU 117 2HD1 LEU 117 11.665 -21.030 9.257 882 HD13 LEU 117 3HD1 LEU 117 10.124 -21.890 9.241 883 HD21 LEU 117 1HD2 LEU 117 11.377 -19.994 12.607 884 HD22 LEU 117 2HD2 LEU 117 11.001 -19.407 10.986 885 HD23 LEU 117 3HD2 LEU 117 12.559 -20.169 11.309 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -8.384 -3.874 -20.903 2 HA2 GLY 1 1HA GLY 1 -8.181 -6.123 -22.670 3 HA3 GLY 1 2HA GLY 1 -7.613 -4.638 -23.417 4 H SER 2 H SER 2 -5.670 -3.762 -22.805 5 HA SER 2 HA SER 2 -4.081 -5.400 -20.941 6 HB2 SER 2 1HB SER 2 -3.090 -3.698 -23.240 7 HB3 SER 2 2HB SER 2 -2.103 -4.731 -22.206 8 HG SER 2 HG SER 2 -2.507 -6.170 -23.688 9 H SER 3 H SER 3 -5.712 -3.406 -19.912 10 HA SER 3 HA SER 3 -3.714 -1.433 -19.024 11 HB2 SER 3 1HB SER 3 -6.636 -0.958 -19.645 12 HB3 SER 3 2HB SER 3 -5.616 0.198 -18.789 13 HG SER 3 HG SER 3 -4.209 0.064 -20.693 14 H GLY 4 H GLY 4 -3.408 -1.371 -16.893 15 HA2 GLY 4 1HA GLY 4 -5.291 -1.450 -14.887 16 HA3 GLY 4 2HA GLY 4 -4.862 -3.130 -15.171 17 H SER 5 H SER 5 -2.548 -3.685 -15.019 18 HA SER 5 HA SER 5 -1.450 -2.888 -12.590 19 HB2 SER 5 1HB SER 5 -0.802 -4.992 -13.554 20 HB3 SER 5 2HB SER 5 -0.154 -4.197 -14.989 21 HG SER 5 HG SER 5 0.846 -4.000 -12.339 22 H SER 6 H SER 6 -0.962 -0.819 -12.175 23 HA SER 6 HA SER 6 0.318 0.838 -14.186 24 HB2 SER 6 1HB SER 6 -0.744 1.376 -11.415 25 HB3 SER 6 2HB SER 6 0.183 2.581 -12.309 26 HG SER 6 HG SER 6 -1.443 2.855 -13.659 27 H GLY 7 H GLY 7 2.440 1.148 -14.346 28 HA2 GLY 7 1HA GLY 7 4.258 -0.191 -12.600 29 HA3 GLY 7 2HA GLY 7 4.689 0.887 -13.919 30 H THR 8 H THR 8 2.795 2.897 -12.512 31 HA THR 8 HA THR 8 4.887 3.971 -10.760 32 HB THR 8 HB THR 8 3.600 6.113 -10.923 33 HG1 THR 8 1HG THR 8 2.097 4.620 -12.836 34 HG21 THR 8 1HG2 THR 8 3.966 5.974 -13.672 35 HG22 THR 8 2HG2 THR 8 5.074 4.763 -13.027 36 HG23 THR 8 3HG2 THR 8 5.177 6.434 -12.476 37 H VAL 9 H VAL 9 1.324 4.161 -10.786 38 HA VAL 9 HA VAL 9 1.157 3.065 -8.121 39 HB VAL 9 HB VAL 9 0.568 5.976 -8.633 40 HG11 VAL 9 1HG1 VAL 9 -0.479 4.154 -6.492 41 HG12 VAL 9 2HG1 VAL 9 -0.302 5.888 -6.221 42 HG13 VAL 9 3HG1 VAL 9 -1.361 5.299 -7.502 43 HG21 VAL 9 1HG2 VAL 9 2.439 4.441 -6.889 44 HG22 VAL 9 2HG2 VAL 9 2.744 5.862 -7.889 45 HG23 VAL 9 3HG2 VAL 9 1.870 6.025 -6.365 46 H LEU 10 H LEU 10 -0.679 1.954 -7.939 47 HA LEU 10 HA LEU 10 -2.658 2.130 -10.038 48 HB2 LEU 10 1HB LEU 10 -2.066 0.279 -7.794 49 HB3 LEU 10 2HB LEU 10 -3.720 0.324 -8.402 50 HG LEU 10 HG LEU 10 -2.437 0.008 -10.723 51 HD11 LEU 10 1HD1 LEU 10 -0.573 -1.534 -10.459 52 HD12 LEU 10 2HD1 LEU 10 -0.669 -1.370 -8.705 53 HD13 LEU 10 3HD1 LEU 10 -0.218 0.017 -9.697 54 HD21 LEU 10 1HD2 LEU 10 -3.815 -1.672 -8.848 55 HD22 LEU 10 2HD2 LEU 10 -2.573 -2.597 -9.692 56 HD23 LEU 10 3HD2 LEU 10 -3.808 -1.735 -10.611 57 H ALA 11 H ALA 11 -4.579 3.114 -9.933 58 HA ALA 11 HA ALA 11 -5.282 4.488 -7.447 59 HB1 ALA 11 1HB ALA 11 -5.860 6.164 -8.779 60 HB2 ALA 11 2HB ALA 11 -5.405 5.197 -10.182 61 HB3 ALA 11 3HB ALA 11 -7.059 5.145 -9.574 62 H LEU 12 H LEU 12 -6.504 3.294 -6.126 63 HA LEU 12 HA LEU 12 -8.538 1.516 -7.249 64 HB2 LEU 12 1HB LEU 12 -7.630 1.811 -4.391 65 HB3 LEU 12 2HB LEU 12 -8.684 0.554 -5.033 66 HG LEU 12 HG LEU 12 -5.794 0.916 -5.812 67 HD11 LEU 12 1HD1 LEU 12 -5.435 0.143 -3.727 68 HD12 LEU 12 2HD1 LEU 12 -5.863 -1.404 -4.455 69 HD13 LEU 12 3HD1 LEU 12 -7.074 -0.486 -3.560 70 HD21 LEU 12 1HD2 LEU 12 -6.272 -0.504 -7.447 71 HD22 LEU 12 2HD2 LEU 12 -7.948 -0.614 -6.907 72 HD23 LEU 12 3HD2 LEU 12 -6.732 -1.703 -6.237 73 H THR 13 H THR 13 -10.711 1.599 -6.609 74 HA THR 13 HA THR 13 -11.548 4.071 -5.246 75 HB THR 13 HB THR 13 -13.391 4.365 -6.783 76 HG1 THR 13 1HG THR 13 -12.511 1.875 -7.748 77 HG21 THR 13 1HG2 THR 13 -10.620 4.217 -7.831 78 HG22 THR 13 2HG2 THR 13 -11.707 5.600 -7.693 79 HG23 THR 13 3HG2 THR 13 -11.916 4.441 -9.007 80 H GLU 14 H GLU 14 -13.901 3.944 -4.565 81 HA GLU 14 HA GLU 14 -14.267 1.764 -2.846 82 HB2 GLU 14 1HB GLU 14 -15.933 4.062 -3.734 83 HB3 GLU 14 2HB GLU 14 -16.760 2.721 -2.955 84 HG2 GLU 14 1HG GLU 14 -14.388 4.109 -1.743 85 HG3 GLU 14 2HG GLU 14 -16.053 4.610 -1.455 86 H ASN 15 H ASN 15 -14.695 1.931 -6.162 87 HA ASN 15 HA ASN 15 -16.797 -0.100 -6.226 88 HB2 ASN 15 1HB ASN 15 -15.649 1.808 -8.199 89 HB3 ASN 15 2HB ASN 15 -16.277 0.284 -8.822 90 HD21 ASN 15 1HD2 ASN 15 -17.091 3.132 -6.931 91 HD22 ASN 15 2HD2 ASN 15 -18.788 3.088 -7.254 92 H ASN 16 H ASN 16 -13.389 0.350 -6.884 93 HA ASN 16 HA ASN 16 -13.143 -2.553 -7.275 94 HB2 ASN 16 1HB ASN 16 -11.260 -2.049 -8.889 95 HB3 ASN 16 2HB ASN 16 -12.877 -1.664 -9.472 96 HD21 ASN 16 1HD2 ASN 16 -10.259 -0.122 -7.634 97 HD22 ASN 16 2HD2 ASN 16 -10.361 1.401 -8.445 98 H PHE 17 H PHE 17 -12.836 -1.243 -4.838 99 HA PHE 17 HA PHE 17 -9.957 -0.955 -4.431 100 HB2 PHE 17 1HB PHE 17 -11.114 0.769 -3.335 101 HB3 PHE 17 2HB PHE 17 -12.375 -0.317 -2.762 102 HD1 PHE 17 1HD PHE 17 -11.754 -2.033 -0.994 103 HD2 PHE 17 2HD PHE 17 -9.284 1.287 -1.994 104 HE1 PHE 17 1HE PHE 17 -10.578 -2.265 1.155 105 HE2 PHE 17 2HE PHE 17 -8.104 1.060 0.153 106 HZ PHE 17 HZ PHE 17 -8.751 -0.718 1.731 107 H ASP 18 H ASP 18 -12.667 -2.991 -3.476 108 HA ASP 18 HA ASP 18 -11.021 -4.640 -1.762 109 HB2 ASP 18 1HB ASP 18 -13.906 -4.558 -2.521 110 HB3 ASP 18 2HB ASP 18 -13.250 -6.074 -1.909 111 H ASP 19 H ASP 19 -12.594 -4.925 -4.921 112 HA ASP 19 HA ASP 19 -12.044 -7.575 -5.491 113 HB2 ASP 19 1HB ASP 19 -13.392 -5.896 -6.866 114 HB3 ASP 19 2HB ASP 19 -11.853 -5.380 -7.551 115 H THR 20 H THR 20 -10.000 -4.729 -6.073 116 HA THR 20 HA THR 20 -7.879 -5.994 -7.353 117 HB THR 20 HB THR 20 -7.697 -3.645 -5.457 118 HG1 THR 20 1HG THR 20 -9.194 -3.515 -7.337 119 HG21 THR 20 1HG2 THR 20 -5.685 -5.082 -6.818 120 HG22 THR 20 2HG2 THR 20 -5.528 -3.554 -5.951 121 HG23 THR 20 3HG2 THR 20 -5.891 -3.556 -7.677 122 H ILE 21 H ILE 21 -7.823 -4.962 -3.939 123 HA ILE 21 HA ILE 21 -5.598 -6.293 -3.101 124 HB ILE 21 HB ILE 21 -6.656 -6.435 -0.841 125 HG12 ILE 21 1HG1 ILE 21 -9.047 -5.267 -2.281 126 HG13 ILE 21 2HG1 ILE 21 -8.959 -6.884 -1.593 127 HG21 ILE 21 1HG2 ILE 21 -6.421 -4.184 -0.454 128 HG22 ILE 21 2HG2 ILE 21 -5.620 -4.336 -2.018 129 HG23 ILE 21 3HG2 ILE 21 -7.273 -3.731 -1.931 130 HD11 ILE 21 1HD1 ILE 21 -9.566 -4.361 -0.326 131 HD12 ILE 21 2HD1 ILE 21 -9.840 -6.008 0.241 132 HD13 ILE 21 3HD1 ILE 21 -8.280 -5.230 0.511 133 H ALA 22 H ALA 22 -8.851 -7.625 -3.460 134 HA ALA 22 HA ALA 22 -8.541 -10.090 -2.262 135 HB1 ALA 22 1HB ALA 22 -10.606 -10.364 -3.026 136 HB2 ALA 22 2HB ALA 22 -10.428 -8.870 -3.946 137 HB3 ALA 22 3HB ALA 22 -10.025 -10.416 -4.691 138 H GLU 23 H GLU 23 -7.437 -9.018 -5.424 139 HA GLU 23 HA GLU 23 -6.474 -11.678 -6.103 140 HB2 GLU 23 1HB GLU 23 -6.485 -9.048 -7.577 141 HB3 GLU 23 2HB GLU 23 -5.654 -10.470 -8.192 142 HG2 GLU 23 1HG GLU 23 -7.953 -11.631 -7.875 143 HG3 GLU 23 2HG GLU 23 -8.579 -9.983 -7.864 144 H GLY 24 H GLY 24 -4.550 -12.365 -5.459 145 HA2 GLY 24 1HA GLY 24 -2.398 -12.355 -4.648 146 HA3 GLY 24 2HA GLY 24 -2.126 -11.122 -5.870 147 H ILE 25 H ILE 25 -0.524 -10.504 -4.128 148 HA ILE 25 HA ILE 25 -1.622 -9.182 -1.806 149 HB ILE 25 HB ILE 25 1.215 -9.226 -2.844 150 HG12 ILE 25 1HG1 ILE 25 0.208 -10.736 -0.453 151 HG13 ILE 25 2HG1 ILE 25 0.015 -11.413 -2.067 152 HG21 ILE 25 1HG2 ILE 25 0.444 -7.327 -1.284 153 HG22 ILE 25 2HG2 ILE 25 0.386 -8.576 -0.040 154 HG23 ILE 25 3HG2 ILE 25 1.905 -8.220 -0.863 155 HD11 ILE 25 1HD1 ILE 25 2.009 -12.333 -1.601 156 HD12 ILE 25 2HD1 ILE 25 2.620 -10.768 -2.140 157 HD13 ILE 25 3HD1 ILE 25 2.428 -11.095 -0.417 158 H THR 26 H THR 26 -2.026 -7.066 -1.562 159 HA THR 26 HA THR 26 -1.071 -5.199 -3.621 160 HB THR 26 HB THR 26 -3.894 -5.246 -2.536 161 HG1 THR 26 1HG THR 26 -3.671 -6.865 -4.064 162 HG21 THR 26 1HG2 THR 26 -4.024 -3.600 -4.630 163 HG22 THR 26 2HG2 THR 26 -2.345 -3.312 -4.172 164 HG23 THR 26 3HG2 THR 26 -3.637 -3.028 -3.006 165 H PHE 27 H PHE 27 0.069 -3.650 -2.680 166 HA PHE 27 HA PHE 27 -0.397 -3.025 0.137 167 HB2 PHE 27 1HB PHE 27 1.923 -3.498 -1.009 168 HB3 PHE 27 2HB PHE 27 1.812 -1.803 -1.470 169 HD1 PHE 27 1HD PHE 27 0.791 -3.536 1.661 170 HD2 PHE 27 2HD PHE 27 3.342 -0.665 -0.172 171 HE1 PHE 27 1HE PHE 27 1.642 -2.884 3.876 172 HE2 PHE 27 2HE PHE 27 4.199 -0.009 2.038 173 HZ PHE 27 HZ PHE 27 3.349 -1.119 4.066 174 H ILE 28 H ILE 28 -1.828 -1.474 0.530 175 HA ILE 28 HA ILE 28 -2.104 0.742 -1.370 176 HB ILE 28 HB ILE 28 -3.906 0.078 0.958 177 HG12 ILE 28 1HG1 ILE 28 -4.322 -0.596 -1.961 178 HG13 ILE 28 2HG1 ILE 28 -3.775 -1.752 -0.751 179 HG21 ILE 28 1HG2 ILE 28 -3.784 2.422 -0.218 180 HG22 ILE 28 2HG2 ILE 28 -4.739 1.610 -1.457 181 HG23 ILE 28 3HG2 ILE 28 -5.339 1.701 0.198 182 HD11 ILE 28 1HD1 ILE 28 -6.453 -0.689 -1.276 183 HD12 ILE 28 2HD1 ILE 28 -5.951 -2.235 -0.590 184 HD13 ILE 28 3HD1 ILE 28 -6.012 -0.796 0.429 185 H LYS 29 H LYS 29 -1.902 2.876 -0.760 186 HA LYS 29 HA LYS 29 -0.790 3.353 1.927 187 HB2 LYS 29 1HB LYS 29 0.926 3.509 0.147 188 HB3 LYS 29 2HB LYS 29 -0.025 4.763 -0.637 189 HG2 LYS 29 1HG LYS 29 0.703 5.197 2.199 190 HG3 LYS 29 2HG LYS 29 1.996 5.302 1.001 191 HD2 LYS 29 1HD LYS 29 -0.610 6.795 0.755 192 HD3 LYS 29 2HD LYS 29 0.820 7.470 1.539 193 HE2 LYS 29 1HE LYS 29 1.097 6.326 -1.195 194 HE3 LYS 29 2HE LYS 29 0.316 7.896 -1.016 195 HZ1 LYS 29 1HZ LYS 29 2.307 8.623 0.241 196 HZ2 LYS 29 2HZ LYS 29 2.630 8.241 -1.375 197 HZ3 LYS 29 3HZ LYS 29 3.056 7.157 -0.148 198 H PHE 30 H PHE 30 -2.301 4.385 3.062 199 HA PHE 30 HA PHE 30 -4.138 6.219 1.755 200 HB2 PHE 30 1HB PHE 30 -4.011 5.492 4.685 201 HB3 PHE 30 2HB PHE 30 -5.361 6.225 3.825 202 HD1 PHE 30 1HD PHE 30 -3.421 3.129 4.280 203 HD2 PHE 30 2HD PHE 30 -6.905 4.905 2.602 204 HE1 PHE 30 1HE PHE 30 -4.342 0.891 3.836 205 HE2 PHE 30 2HE PHE 30 -7.834 2.670 2.156 206 HZ PHE 30 HZ PHE 30 -6.552 0.660 2.773 207 H TYR 31 H TYR 31 -3.188 8.126 1.300 208 HA TYR 31 HA TYR 31 -1.762 9.499 3.482 209 HB2 TYR 31 1HB TYR 31 -0.377 10.542 1.930 210 HB3 TYR 31 2HB TYR 31 -0.588 8.943 1.225 211 HD1 TYR 31 1HD TYR 31 -1.995 8.635 -0.760 212 HD2 TYR 31 2HD TYR 31 -1.299 12.501 0.875 213 HE1 TYR 31 1HE TYR 31 -2.812 9.657 -2.843 214 HE2 TYR 31 2HE TYR 31 -2.115 13.534 -1.203 215 HH TYR 31 HH TYR 31 -2.539 11.818 -4.064 216 H ALA 32 H ALA 32 -1.842 12.003 3.074 217 HA ALA 32 HA ALA 32 -4.571 12.797 2.324 218 HB1 ALA 32 1HB ALA 32 -5.112 13.248 4.425 219 HB2 ALA 32 2HB ALA 32 -3.512 12.744 4.971 220 HB3 ALA 32 3HB ALA 32 -3.795 14.419 4.500 221 HA PRO 33 HA PRO 33 -2.382 15.906 0.065 222 HB2 PRO 33 1HB PRO 33 -4.519 17.463 -0.553 223 HB3 PRO 33 2HB PRO 33 -4.192 15.919 -1.350 224 HG2 PRO 33 1HG PRO 33 -6.095 16.536 0.877 225 HG3 PRO 33 2HG PRO 33 -6.340 15.518 -0.555 226 HD2 PRO 33 1HD PRO 33 -5.771 14.489 1.884 227 HD3 PRO 33 2HD PRO 33 -5.231 13.725 0.374 228 H TRP 34 H TRP 34 -3.670 16.245 3.097 229 HA TRP 34 HA TRP 34 -2.939 19.096 3.244 230 HB2 TRP 34 1HB TRP 34 -4.326 19.061 5.381 231 HB3 TRP 34 2HB TRP 34 -5.216 18.911 3.869 232 HD1 TRP 34 HD TRP 34 -6.580 16.705 3.470 233 HE1 TRP 34 1HE TRP 34 -7.124 14.667 4.945 234 HE3 TRP 34 3HE TRP 34 -3.272 17.550 7.276 235 HZ2 TRP 34 2HZ TRP 34 -6.265 13.563 7.396 236 HZ3 TRP 34 3HZ TRP 34 -3.197 15.955 9.149 237 HH2 TRP 34 HH TRP 34 -4.664 14.004 9.206 238 H CYS 35 H CYS 35 -1.521 16.303 3.657 239 HA CYS 35 HA CYS 35 -0.341 16.910 6.279 240 HB2 CYS 35 1HB CYS 35 -1.332 14.568 5.559 241 HB3 CYS 35 2HB CYS 35 0.245 14.377 4.802 242 HG CYS 35 HG CYS 35 1.507 13.691 6.929 243 H GLY 36 H GLY 36 1.981 16.729 6.525 244 HA2 GLY 36 1HA GLY 36 3.358 17.780 4.166 245 HA3 GLY 36 2HA GLY 36 3.934 17.861 5.825 246 H HIS 37 H HIS 37 4.116 15.441 6.752 247 HA HIS 37 HA HIS 37 6.381 14.316 5.781 248 HB2 HIS 37 1HB HIS 37 4.166 12.582 6.856 249 HB3 HIS 37 2HB HIS 37 5.904 12.376 7.052 250 HD1 HIS 37 1HD HIS 37 3.296 13.002 9.135 251 HD2 HIS 37 2HD HIS 37 6.753 15.176 8.366 252 HE1 HIS 37 1HE HIS 37 3.635 14.464 11.154 253 HE2 HIS 37 2HE HIS 37 5.684 15.831 10.628 254 H CYS 38 H CYS 38 3.103 13.706 4.651 255 HA CYS 38 HA CYS 38 3.471 11.501 3.050 256 HB2 CYS 38 1HB CYS 38 1.265 12.269 3.240 257 HB3 CYS 38 2HB CYS 38 1.698 13.911 2.776 258 HG CYS 38 HG CYS 38 0.761 13.574 0.413 259 H LYS 39 H LYS 39 4.076 14.898 2.230 260 HA LYS 39 HA LYS 39 4.704 14.725 -0.423 261 HB2 LYS 39 1HB LYS 39 5.708 16.431 1.807 262 HB3 LYS 39 2HB LYS 39 6.557 16.502 0.268 263 HG2 LYS 39 1HG LYS 39 5.047 18.172 -0.044 264 HG3 LYS 39 2HG LYS 39 4.115 16.812 -0.675 265 HD2 LYS 39 1HD LYS 39 3.045 16.569 1.543 266 HD3 LYS 39 2HD LYS 39 3.923 17.998 2.094 267 HE2 LYS 39 1HE LYS 39 2.118 18.035 -0.311 268 HE3 LYS 39 2HE LYS 39 1.524 18.342 1.320 269 HZ1 LYS 39 1HZ LYS 39 2.214 20.326 -0.110 270 HZ2 LYS 39 2HZ LYS 39 3.804 19.863 0.227 271 HZ3 LYS 39 3HZ LYS 39 2.762 20.281 1.490 272 H THR 40 H THR 40 6.584 13.595 2.290 273 HA THR 40 HA THR 40 8.986 13.153 0.778 274 HB THR 40 HB THR 40 8.226 11.997 3.467 275 HG1 THR 40 1HG THR 40 8.406 14.024 4.061 276 HG21 THR 40 1HG2 THR 40 10.889 12.343 2.085 277 HG22 THR 40 2HG2 THR 40 10.085 10.820 2.466 278 HG23 THR 40 3HG2 THR 40 10.686 11.849 3.765 279 H LEU 41 H LEU 41 6.169 11.278 1.671 280 HA LEU 41 HA LEU 41 7.310 8.779 0.776 281 HB2 LEU 41 1HB LEU 41 5.612 9.044 2.635 282 HB3 LEU 41 2HB LEU 41 4.418 9.349 1.375 283 HG LEU 41 HG LEU 41 4.955 7.081 0.446 284 HD11 LEU 41 1HD1 LEU 41 6.118 6.296 3.050 285 HD12 LEU 41 2HD1 LEU 41 7.174 7.149 1.925 286 HD13 LEU 41 3HD1 LEU 41 6.397 5.643 1.436 287 HD21 LEU 41 1HD2 LEU 41 3.000 7.558 1.894 288 HD22 LEU 41 2HD2 LEU 41 3.965 7.094 3.295 289 HD23 LEU 41 3HD2 LEU 41 3.596 5.904 2.045 290 H ALA 42 H ALA 42 5.647 11.411 -0.625 291 HA ALA 42 HA ALA 42 4.124 10.381 -2.639 292 HB1 ALA 42 1HB ALA 42 4.041 12.629 -2.762 293 HB2 ALA 42 2HB ALA 42 5.739 12.824 -2.324 294 HB3 ALA 42 3HB ALA 42 5.299 12.400 -3.978 295 HA PRO 43 HA PRO 43 7.979 9.835 -5.499 296 HB2 PRO 43 1HB PRO 43 10.428 10.079 -4.353 297 HB3 PRO 43 2HB PRO 43 9.555 11.446 -5.055 298 HG2 PRO 43 1HG PRO 43 9.787 10.617 -2.188 299 HG3 PRO 43 2HG PRO 43 9.884 12.240 -2.895 300 HD2 PRO 43 1HD PRO 43 7.647 11.308 -1.688 301 HD3 PRO 43 2HD PRO 43 7.594 12.447 -3.050 302 H THR 44 H THR 44 8.392 8.807 -2.141 303 HA THR 44 HA THR 44 9.867 6.471 -2.608 304 HB THR 44 HB THR 44 7.863 6.934 -0.392 305 HG1 THR 44 1HG THR 44 9.483 8.576 -0.507 306 HG21 THR 44 1HG2 THR 44 10.313 5.174 -0.419 307 HG22 THR 44 2HG2 THR 44 8.676 4.586 -0.717 308 HG23 THR 44 3HG2 THR 44 9.091 5.292 0.846 309 H TRP 45 H TRP 45 6.358 6.816 -2.059 310 HA TRP 45 HA TRP 45 5.529 4.245 -2.371 311 HB2 TRP 45 1HB TRP 45 4.146 6.395 -1.991 312 HB3 TRP 45 2HB TRP 45 4.042 6.470 -3.747 313 HD1 TRP 45 HD TRP 45 1.713 5.652 -4.410 314 HE1 TRP 45 1HE TRP 45 0.195 3.678 -3.762 315 HE3 TRP 45 3HE TRP 45 4.598 3.584 -0.731 316 HZ2 TRP 45 2HZ TRP 45 0.217 1.529 -1.932 317 HZ3 TRP 45 3HZ TRP 45 3.777 1.570 0.420 318 HH2 TRP 45 HH TRP 45 1.631 0.565 -0.170 319 H GLU 46 H GLU 46 6.113 6.558 -5.011 320 HA GLU 46 HA GLU 46 5.403 4.937 -7.149 321 HB2 GLU 46 1HB GLU 46 7.410 7.162 -6.885 322 HB3 GLU 46 2HB GLU 46 7.157 6.334 -8.416 323 HG2 GLU 46 1HG GLU 46 4.952 7.664 -6.867 324 HG3 GLU 46 2HG GLU 46 5.889 8.469 -8.124 325 H GLU 47 H GLU 47 8.714 5.488 -5.932 326 HA GLU 47 HA GLU 47 10.131 3.750 -7.451 327 HB2 GLU 47 1HB GLU 47 10.481 4.016 -4.460 328 HB3 GLU 47 2HB GLU 47 11.706 3.525 -5.620 329 HG2 GLU 47 1HG GLU 47 11.118 5.883 -6.673 330 HG3 GLU 47 2HG GLU 47 10.638 6.218 -5.011 331 H LEU 48 H LEU 48 8.274 2.895 -4.548 332 HA LEU 48 HA LEU 48 8.923 0.201 -4.400 333 HB2 LEU 48 1HB LEU 48 7.584 1.603 -2.767 334 HB3 LEU 48 2HB LEU 48 6.192 1.313 -3.808 335 HG LEU 48 HG LEU 48 6.347 -1.079 -3.375 336 HD11 LEU 48 1HD1 LEU 48 8.691 -0.338 -1.634 337 HD12 LEU 48 2HD1 LEU 48 8.732 -1.312 -3.104 338 HD13 LEU 48 3HD1 LEU 48 7.912 -1.919 -1.666 339 HD21 LEU 48 1HD2 LEU 48 5.428 0.825 -1.663 340 HD22 LEU 48 2HD2 LEU 48 6.502 -0.103 -0.617 341 HD23 LEU 48 3HD2 LEU 48 5.183 -0.910 -1.466 342 H SER 49 H SER 49 6.152 1.697 -6.069 343 HA SER 49 HA SER 49 4.908 -0.493 -7.104 344 HB2 SER 49 1HB SER 49 4.019 0.907 -8.817 345 HB3 SER 49 2HB SER 49 4.279 1.950 -7.419 346 HG SER 49 HG SER 49 5.244 3.091 -8.946 347 H LYS 50 H LYS 50 7.934 0.921 -8.160 348 HA LYS 50 HA LYS 50 8.127 -0.715 -10.523 349 HB2 LYS 50 1HB LYS 50 10.207 0.982 -9.129 350 HB3 LYS 50 2HB LYS 50 10.399 0.234 -10.710 351 HG2 LYS 50 1HG LYS 50 8.849 1.661 -11.707 352 HG3 LYS 50 2HG LYS 50 8.153 2.138 -10.156 353 HD2 LYS 50 1HD LYS 50 10.566 3.050 -9.698 354 HD3 LYS 50 2HD LYS 50 10.689 3.029 -11.459 355 HE2 LYS 50 1HE LYS 50 9.947 5.200 -10.824 356 HE3 LYS 50 2HE LYS 50 8.567 4.361 -11.530 357 HZ1 LYS 50 1HZ LYS 50 7.459 4.813 -9.684 358 HZ2 LYS 50 2HZ LYS 50 8.831 5.475 -8.948 359 HZ3 LYS 50 3HZ LYS 50 8.516 3.818 -8.815 360 H LYS 51 H LYS 51 9.697 -0.643 -7.337 361 HA LYS 51 HA LYS 51 11.573 -2.531 -7.419 362 HB2 LYS 51 1HB LYS 51 9.390 -2.254 -5.354 363 HB3 LYS 51 2HB LYS 51 10.774 -3.318 -5.141 364 HG2 LYS 51 1HG LYS 51 11.066 -0.380 -5.690 365 HG3 LYS 51 2HG LYS 51 10.918 -1.039 -4.059 366 HD2 LYS 51 1HD LYS 51 12.981 -2.067 -5.981 367 HD3 LYS 51 2HD LYS 51 13.278 -0.634 -4.994 368 HE2 LYS 51 1HE LYS 51 12.449 -2.224 -3.059 369 HE3 LYS 51 2HE LYS 51 12.970 -3.481 -4.179 370 HZ1 LYS 51 1HZ LYS 51 14.597 -1.354 -2.927 371 HZ2 LYS 51 2HZ LYS 51 15.132 -2.186 -4.299 372 HZ3 LYS 51 3HZ LYS 51 14.827 -3.030 -2.864 373 H GLU 52 H GLU 52 11.794 -4.744 -7.499 374 HA GLU 52 HA GLU 52 9.396 -6.216 -8.364 375 HB2 GLU 52 1HB GLU 52 12.248 -6.299 -9.194 376 HB3 GLU 52 2HB GLU 52 11.378 -7.827 -9.173 377 HG2 GLU 52 1HG GLU 52 10.093 -5.515 -10.515 378 HG3 GLU 52 2HG GLU 52 11.460 -6.289 -11.314 379 H PHE 53 H PHE 53 8.760 -8.002 -7.295 380 HA PHE 53 HA PHE 53 10.302 -8.745 -4.910 381 HB2 PHE 53 1HB PHE 53 7.448 -9.505 -5.533 382 HB3 PHE 53 2HB PHE 53 8.268 -9.583 -3.978 383 HD1 PHE 53 1HD PHE 53 6.769 -7.345 -6.476 384 HD2 PHE 53 2HD PHE 53 8.476 -7.657 -2.588 385 HE1 PHE 53 1HE PHE 53 5.946 -5.089 -5.936 386 HE2 PHE 53 2HE PHE 53 7.655 -5.403 -2.043 387 HZ PHE 53 HZ PHE 53 6.388 -4.117 -3.717 388 HA PRO 54 HA PRO 54 11.351 -12.345 -7.436 389 HB2 PRO 54 1HB PRO 54 13.403 -13.129 -5.842 390 HB3 PRO 54 2HB PRO 54 13.560 -11.848 -7.050 391 HG2 PRO 54 1HG PRO 54 13.129 -11.622 -4.097 392 HG3 PRO 54 2HG PRO 54 14.214 -10.689 -5.144 393 HD2 PRO 54 1HD PRO 54 11.820 -9.738 -4.308 394 HD3 PRO 54 2HD PRO 54 12.520 -9.313 -5.884 395 H GLY 55 H GLY 55 10.739 -14.444 -7.235 396 HA2 GLY 55 1HA GLY 55 9.635 -16.256 -6.352 397 HA3 GLY 55 2HA GLY 55 10.698 -16.021 -4.973 398 H LEU 56 H LEU 56 8.490 -13.503 -5.851 399 HA LEU 56 HA LEU 56 6.810 -14.218 -3.538 400 HB2 LEU 56 1HB LEU 56 7.912 -11.612 -4.470 401 HB3 LEU 56 2HB LEU 56 6.355 -11.630 -3.645 402 HG LEU 56 HG LEU 56 9.056 -12.375 -2.561 403 HD11 LEU 56 1HD1 LEU 56 7.170 -10.166 -2.274 404 HD12 LEU 56 2HD1 LEU 56 8.896 -10.241 -1.921 405 HD13 LEU 56 3HD1 LEU 56 7.727 -10.827 -0.737 406 HD21 LEU 56 1HD2 LEU 56 7.551 -12.844 -0.450 407 HD22 LEU 56 2HD2 LEU 56 7.903 -14.113 -1.625 408 HD23 LEU 56 3HD2 LEU 56 6.358 -13.264 -1.679 409 H ALA 57 H ALA 57 4.569 -13.581 -3.647 410 HA ALA 57 HA ALA 57 3.359 -14.224 -6.117 411 HB1 ALA 57 1HB ALA 57 1.272 -13.268 -4.841 412 HB2 ALA 57 2HB ALA 57 2.018 -14.789 -4.346 413 HB3 ALA 57 3HB ALA 57 2.372 -13.305 -3.461 414 H GLY 58 H GLY 58 1.943 -12.906 -7.411 415 HA2 GLY 58 1HA GLY 58 3.043 -10.583 -8.384 416 HA3 GLY 58 2HA GLY 58 1.345 -11.000 -8.552 417 H VAL 59 H VAL 59 3.669 -9.065 -6.885 418 HA VAL 59 HA VAL 59 1.767 -8.019 -4.972 419 HB VAL 59 HB VAL 59 4.585 -7.140 -5.618 420 HG11 VAL 59 1HG1 VAL 59 4.270 -6.119 -3.232 421 HG12 VAL 59 2HG1 VAL 59 3.694 -5.247 -4.655 422 HG13 VAL 59 3HG1 VAL 59 2.559 -6.158 -3.658 423 HG21 VAL 59 1HG2 VAL 59 5.213 -8.905 -4.424 424 HG22 VAL 59 2HG2 VAL 59 4.393 -8.208 -3.027 425 HG23 VAL 59 3HG2 VAL 59 3.535 -9.326 -4.086 426 H LYS 60 H LYS 60 0.799 -6.029 -5.007 427 HA LYS 60 HA LYS 60 1.179 -4.400 -7.430 428 HB2 LYS 60 1HB LYS 60 -1.386 -5.290 -6.131 429 HB3 LYS 60 2HB LYS 60 -1.325 -3.863 -7.158 430 HG2 LYS 60 1HG LYS 60 -0.573 -5.199 -9.027 431 HG3 LYS 60 2HG LYS 60 -0.518 -6.638 -8.006 432 HD2 LYS 60 1HD LYS 60 -3.035 -5.044 -8.425 433 HD3 LYS 60 2HD LYS 60 -2.563 -6.369 -9.492 434 HE2 LYS 60 1HE LYS 60 -2.306 -7.636 -7.176 435 HE3 LYS 60 2HE LYS 60 -3.483 -6.426 -6.666 436 HZ1 LYS 60 1HZ LYS 60 -5.053 -7.212 -8.162 437 HZ2 LYS 60 2HZ LYS 60 -4.344 -8.632 -7.580 438 HZ3 LYS 60 3HZ LYS 60 -3.914 -8.035 -9.104 439 H ILE 61 H ILE 61 1.021 -2.176 -7.186 440 HA ILE 61 HA ILE 61 0.882 -1.216 -4.403 441 HB ILE 61 HB ILE 61 2.572 -0.094 -6.641 442 HG12 ILE 61 1HG1 ILE 61 3.528 -2.158 -5.841 443 HG13 ILE 61 2HG1 ILE 61 4.470 -0.824 -5.183 444 HG21 ILE 61 1HG2 ILE 61 1.854 1.689 -5.224 445 HG22 ILE 61 2HG2 ILE 61 2.216 0.756 -3.773 446 HG23 ILE 61 3HG2 ILE 61 3.528 1.317 -4.811 447 HD11 ILE 61 1HD1 ILE 61 2.613 -2.695 -3.798 448 HD12 ILE 61 2HD1 ILE 61 4.249 -2.201 -3.363 449 HD13 ILE 61 3HD1 ILE 61 2.900 -1.090 -3.131 450 H ALA 62 H ALA 62 -0.919 -0.098 -4.089 451 HA ALA 62 HA ALA 62 -1.878 1.657 -6.257 452 HB1 ALA 62 1HB ALA 62 -3.714 0.379 -6.186 453 HB2 ALA 62 2HB ALA 62 -3.285 -0.316 -4.622 454 HB3 ALA 62 3HB ALA 62 -4.085 1.254 -4.700 455 H GLU 63 H GLU 63 -3.457 3.373 -5.265 456 HA GLU 63 HA GLU 63 -2.444 4.375 -2.708 457 HB2 GLU 63 1HB GLU 63 -1.078 5.708 -3.976 458 HB3 GLU 63 2HB GLU 63 -2.158 5.682 -5.364 459 HG2 GLU 63 1HG GLU 63 -3.618 7.280 -4.333 460 HG3 GLU 63 2HG GLU 63 -2.694 7.216 -2.832 461 H VAL 64 H VAL 64 -3.874 5.688 -1.574 462 HA VAL 64 HA VAL 64 -6.497 6.193 -2.781 463 HB VAL 64 HB VAL 64 -6.059 4.754 -0.163 464 HG11 VAL 64 1HG1 VAL 64 -7.823 6.514 -0.038 465 HG12 VAL 64 2HG1 VAL 64 -8.682 5.672 -1.329 466 HG13 VAL 64 3HG1 VAL 64 -8.417 4.874 0.222 467 HG21 VAL 64 1HG2 VAL 64 -6.706 2.864 -1.190 468 HG22 VAL 64 2HG2 VAL 64 -7.926 3.689 -2.160 469 HG23 VAL 64 3HG2 VAL 64 -6.238 3.708 -2.666 470 H ASP 65 H ASP 65 -7.385 8.095 -2.206 471 HA ASP 65 HA ASP 65 -5.825 9.838 -0.482 472 HB2 ASP 65 1HB ASP 65 -7.554 11.556 -1.263 473 HB3 ASP 65 2HB ASP 65 -6.479 10.891 -2.489 474 H CYS 66 H CYS 66 -6.436 10.599 1.472 475 HA CYS 66 HA CYS 66 -8.751 9.331 2.711 476 HB2 CYS 66 1HB CYS 66 -6.311 10.737 3.737 477 HB3 CYS 66 2HB CYS 66 -7.721 10.572 4.778 478 H THR 67 H THR 67 -8.962 11.574 0.759 479 HA THR 67 HA THR 67 -10.473 13.430 2.479 480 HB THR 67 HB THR 67 -9.992 15.182 0.695 481 HG1 THR 67 1HG THR 67 -8.232 13.111 -0.086 482 HG21 THR 67 1HG2 THR 67 -8.931 15.276 2.875 483 HG22 THR 67 2HG2 THR 67 -7.765 15.719 1.628 484 HG23 THR 67 3HG2 THR 67 -7.708 14.116 2.359 485 H ALA 68 H ALA 68 -10.241 11.741 -0.585 486 HA ALA 68 HA ALA 68 -12.986 12.561 -1.246 487 HB1 ALA 68 1HB ALA 68 -12.189 12.850 -3.296 488 HB2 ALA 68 2HB ALA 68 -10.623 12.189 -2.823 489 HB3 ALA 68 3HB ALA 68 -11.899 11.112 -3.392 490 H GLU 69 H GLU 69 -10.929 9.800 -0.607 491 HA GLU 69 HA GLU 69 -13.220 7.996 -0.976 492 HB2 GLU 69 1HB GLU 69 -10.260 7.422 -0.776 493 HB3 GLU 69 2HB GLU 69 -11.501 6.181 -0.871 494 HG2 GLU 69 1HG GLU 69 -12.176 6.997 -3.058 495 HG3 GLU 69 2HG GLU 69 -10.970 8.278 -2.963 496 H ARG 70 H ARG 70 -12.833 9.784 1.327 497 HA ARG 70 HA ARG 70 -11.834 8.773 3.617 498 HB2 ARG 70 1HB ARG 70 -14.640 9.877 3.446 499 HB3 ARG 70 2HB ARG 70 -13.563 9.921 4.836 500 HG2 ARG 70 1HG ARG 70 -12.003 11.284 3.301 501 HG3 ARG 70 2HG ARG 70 -13.445 11.515 2.311 502 HD2 ARG 70 1HD ARG 70 -13.327 12.137 5.255 503 HD3 ARG 70 2HD ARG 70 -12.993 13.325 3.995 504 HE ARG 70 HE ARG 70 -15.530 11.989 3.720 505 HH11 ARG 70 2HH1 ARG 70 -13.824 14.677 5.129 506 HH12 ARG 70 1HH1 ARG 70 -15.243 15.656 5.302 507 HH21 ARG 70 2HH2 ARG 70 -17.406 13.268 3.941 508 HH22 ARG 70 1HH2 ARG 70 -17.280 14.853 4.627 509 H ASN 71 H ASN 71 -14.990 7.855 2.249 510 HA ASN 71 HA ASN 71 -16.064 6.180 4.013 511 HB2 ASN 71 1HB ASN 71 -15.766 5.939 1.051 512 HB3 ASN 71 2HB ASN 71 -16.462 4.584 1.934 513 HD21 ASN 71 1HD2 ASN 71 -16.992 7.664 0.622 514 HD22 ASN 71 2HD2 ASN 71 -18.616 7.882 1.173 515 H ILE 72 H ILE 72 -13.196 5.430 2.097 516 HA ILE 72 HA ILE 72 -12.948 2.784 3.233 517 HB ILE 72 HB ILE 72 -11.016 4.337 1.507 518 HG12 ILE 72 1HG1 ILE 72 -12.916 2.111 0.742 519 HG13 ILE 72 2HG1 ILE 72 -13.231 3.820 0.460 520 HG21 ILE 72 1HG2 ILE 72 -10.984 1.370 1.752 521 HG22 ILE 72 2HG2 ILE 72 -9.671 2.489 1.384 522 HG23 ILE 72 3HG2 ILE 72 -10.259 2.335 3.038 523 HD11 ILE 72 1HD1 ILE 72 -11.372 1.978 -0.916 524 HD12 ILE 72 2HD1 ILE 72 -12.387 3.266 -1.564 525 HD13 ILE 72 3HD1 ILE 72 -10.877 3.661 -0.744 526 H CYS 73 H CYS 73 -10.830 5.658 3.221 527 HA CYS 73 HA CYS 73 -8.963 4.892 5.052 528 HB2 CYS 73 1HB CYS 73 -10.160 7.537 4.358 529 HB3 CYS 73 2HB CYS 73 -9.093 7.446 5.755 530 H SER 74 H SER 74 -11.991 6.600 5.844 531 HA SER 74 HA SER 74 -11.767 6.676 8.581 532 HB2 SER 74 1HB SER 74 -13.594 7.793 7.473 533 HB3 SER 74 2HB SER 74 -14.243 6.259 6.894 534 HG SER 74 HG SER 74 -14.004 7.007 9.623 535 H LYS 75 H LYS 75 -12.966 4.017 6.574 536 HA LYS 75 HA LYS 75 -13.816 2.306 8.606 537 HB2 LYS 75 1HB LYS 75 -14.284 1.942 6.214 538 HB3 LYS 75 2HB LYS 75 -12.586 1.570 5.942 539 HG2 LYS 75 1HG LYS 75 -12.853 -0.321 7.582 540 HG3 LYS 75 2HG LYS 75 -14.590 -0.014 7.524 541 HD2 LYS 75 1HD LYS 75 -14.762 -0.681 5.309 542 HD3 LYS 75 2HD LYS 75 -13.046 -0.409 4.990 543 HE2 LYS 75 1HE LYS 75 -13.226 -2.730 5.061 544 HE3 LYS 75 2HE LYS 75 -12.650 -2.314 6.674 545 HZ1 LYS 75 1HZ LYS 75 -14.958 -2.440 7.455 546 HZ2 LYS 75 2HZ LYS 75 -14.418 -3.914 6.825 547 HZ3 LYS 75 3HZ LYS 75 -15.453 -2.933 5.914 548 H TYR 76 H TYR 76 -10.618 3.057 7.456 549 HA TYR 76 HA TYR 76 -9.449 0.896 9.046 550 HB2 TYR 76 1HB TYR 76 -8.253 2.807 7.036 551 HB3 TYR 76 2HB TYR 76 -7.298 1.670 7.979 552 HD1 TYR 76 1HD TYR 76 -7.860 -0.822 7.749 553 HD2 TYR 76 2HD TYR 76 -9.244 2.140 5.025 554 HE1 TYR 76 1HE TYR 76 -8.273 -2.569 6.067 555 HE2 TYR 76 2HE TYR 76 -9.662 0.401 3.337 556 HH TYR 76 HH TYR 76 -9.956 -2.717 3.942 557 H SER 77 H SER 77 -10.739 3.279 10.225 558 HA SER 77 HA SER 77 -10.292 5.045 11.654 559 HB2 SER 77 1HB SER 77 -10.163 2.831 12.937 560 HB3 SER 77 2HB SER 77 -8.413 3.044 12.903 561 HG SER 77 HG SER 77 -9.562 5.325 13.693 562 H VAL 78 H VAL 78 -8.575 5.097 9.330 563 HA VAL 78 HA VAL 78 -5.879 5.548 9.984 564 HB VAL 78 HB VAL 78 -7.506 6.712 7.721 565 HG11 VAL 78 1HG1 VAL 78 -5.728 7.976 7.288 566 HG12 VAL 78 2HG1 VAL 78 -4.792 7.202 8.569 567 HG13 VAL 78 3HG1 VAL 78 -4.835 6.493 6.954 568 HG21 VAL 78 1HG2 VAL 78 -6.808 4.080 8.206 569 HG22 VAL 78 2HG2 VAL 78 -7.283 4.765 6.652 570 HG23 VAL 78 3HG2 VAL 78 -5.576 4.642 7.075 571 H ARG 79 H ARG 79 -5.306 6.946 11.535 572 HA ARG 79 HA ARG 79 -6.435 9.667 11.416 573 HB2 ARG 79 1HB ARG 79 -6.030 9.834 13.833 574 HB3 ARG 79 2HB ARG 79 -7.126 8.513 13.451 575 HG2 ARG 79 1HG ARG 79 -5.244 6.932 13.655 576 HG3 ARG 79 2HG ARG 79 -4.204 8.277 14.131 577 HD2 ARG 79 1HD ARG 79 -5.223 8.521 16.173 578 HD3 ARG 79 2HD ARG 79 -6.749 7.839 15.613 579 HE ARG 79 HE ARG 79 -5.063 5.731 15.505 580 HH11 ARG 79 2HH1 ARG 79 -5.834 8.042 17.994 581 HH12 ARG 79 1HH1 ARG 79 -5.536 6.936 19.294 582 HH21 ARG 79 2HH2 ARG 79 -4.669 4.266 17.209 583 HH22 ARG 79 1HH2 ARG 79 -4.873 4.790 18.847 584 H GLY 80 H GLY 80 -3.550 7.720 12.037 585 HA2 GLY 80 1HA GLY 80 -1.883 10.124 12.028 586 HA3 GLY 80 2HA GLY 80 -1.354 8.497 12.429 587 H TYR 81 H TYR 81 -1.590 10.872 9.999 588 HA TYR 81 HA TYR 81 -0.932 8.974 7.871 589 HB2 TYR 81 1HB TYR 81 -1.238 11.934 7.474 590 HB3 TYR 81 2HB TYR 81 -1.518 10.629 6.326 591 HD1 TYR 81 2HD TYR 81 -2.864 12.162 9.435 592 HD2 TYR 81 1HD TYR 81 -3.672 9.766 6.013 593 HE1 TYR 81 2HE TYR 81 -5.263 12.210 9.975 594 HE2 TYR 81 1HE TYR 81 -6.073 9.808 6.543 595 HH TYR 81 HH TYR 81 -7.496 10.140 8.609 596 HA PRO 82 HA PRO 82 -0.049 9.240 5.771 597 HB2 PRO 82 1HB PRO 82 1.928 7.593 4.904 598 HB3 PRO 82 2HB PRO 82 1.814 9.290 4.426 599 HG2 PRO 82 1HG PRO 82 3.528 8.027 6.530 600 HG3 PRO 82 2HG PRO 82 3.953 9.270 5.338 601 HD2 PRO 82 1HD PRO 82 3.386 9.860 7.919 602 HD3 PRO 82 2HD PRO 82 3.008 10.965 6.582 603 H THR 83 H THR 83 -0.457 6.893 5.235 604 HA THR 83 HA THR 83 -0.050 5.095 7.511 605 HB THR 83 HB THR 83 -2.773 5.402 6.249 606 HG1 THR 83 1HG THR 83 -2.861 6.296 8.707 607 HG21 THR 83 1HG2 THR 83 -3.366 4.310 8.515 608 HG22 THR 83 2HG2 THR 83 -1.654 3.890 8.587 609 HG23 THR 83 3HG2 THR 83 -2.651 3.301 7.258 610 H LEU 84 H LEU 84 0.128 2.959 6.976 611 HA LEU 84 HA LEU 84 -0.362 2.203 4.179 612 HB2 LEU 84 1HB LEU 84 2.007 1.084 5.590 613 HB3 LEU 84 2HB LEU 84 1.724 1.303 3.864 614 HG LEU 84 HG LEU 84 2.344 3.534 5.799 615 HD11 LEU 84 1HD1 LEU 84 4.098 1.952 3.939 616 HD12 LEU 84 2HD1 LEU 84 4.299 2.219 5.671 617 HD13 LEU 84 3HD1 LEU 84 4.537 3.551 4.541 618 HD21 LEU 84 1HD2 LEU 84 1.785 4.914 4.157 619 HD22 LEU 84 2HD2 LEU 84 1.253 3.537 3.191 620 HD23 LEU 84 3HD2 LEU 84 2.916 4.111 3.068 621 H LEU 85 H LEU 85 -0.912 0.043 3.830 622 HA LEU 85 HA LEU 85 -1.053 -1.780 6.080 623 HB2 LEU 85 1HB LEU 85 -3.503 -0.730 4.683 624 HB3 LEU 85 2HB LEU 85 -3.495 -2.212 5.636 625 HG LEU 85 HG LEU 85 -2.712 0.447 6.802 626 HD11 LEU 85 1HD1 LEU 85 -4.824 1.105 6.540 627 HD12 LEU 85 2HD1 LEU 85 -5.233 -0.116 7.746 628 HD13 LEU 85 3HD1 LEU 85 -5.351 -0.498 6.028 629 HD21 LEU 85 1HD2 LEU 85 -3.308 -0.671 8.904 630 HD22 LEU 85 2HD2 LEU 85 -2.017 -1.515 8.050 631 HD23 LEU 85 3HD2 LEU 85 -3.664 -2.148 8.009 632 H LEU 86 H LEU 86 -0.954 -3.883 5.463 633 HA LEU 86 HA LEU 86 -0.771 -4.389 2.582 634 HB2 LEU 86 1HB LEU 86 1.157 -4.958 4.029 635 HB3 LEU 86 2HB LEU 86 0.134 -6.111 4.885 636 HG LEU 86 HG LEU 86 -0.153 -7.298 2.666 637 HD11 LEU 86 1HD1 LEU 86 0.508 -5.596 1.136 638 HD12 LEU 86 2HD1 LEU 86 1.702 -6.890 1.042 639 HD13 LEU 86 3HD1 LEU 86 2.074 -5.411 1.928 640 HD21 LEU 86 1HD2 LEU 86 1.249 -8.624 3.775 641 HD22 LEU 86 2HD2 LEU 86 2.102 -7.255 4.488 642 HD23 LEU 86 3HD2 LEU 86 2.553 -7.838 2.885 643 H PHE 87 H PHE 87 -1.842 -6.127 1.609 644 HA PHE 87 HA PHE 87 -3.873 -7.507 3.208 645 HB2 PHE 87 1HB PHE 87 -4.456 -6.131 0.577 646 HB3 PHE 87 2HB PHE 87 -5.597 -7.075 1.529 647 HD1 PHE 87 1HD PHE 87 -3.534 -4.003 1.557 648 HD2 PHE 87 2HD PHE 87 -6.831 -6.090 3.257 649 HE1 PHE 87 1HE PHE 87 -4.186 -1.969 2.780 650 HE2 PHE 87 2HE PHE 87 -7.489 -4.060 4.482 651 HZ PHE 87 HZ PHE 87 -6.167 -1.996 4.244 652 H ARG 88 H ARG 88 -4.179 -9.597 2.660 653 HA ARG 88 HA ARG 88 -3.068 -10.560 0.120 654 HB2 ARG 88 1HB ARG 88 -1.504 -10.873 2.149 655 HB3 ARG 88 2HB ARG 88 -2.655 -12.095 2.672 656 HG2 ARG 88 1HG ARG 88 -2.131 -13.525 0.953 657 HG3 ARG 88 2HG ARG 88 -1.553 -12.225 -0.092 658 HD2 ARG 88 1HD ARG 88 0.449 -13.137 0.507 659 HD3 ARG 88 2HD ARG 88 0.255 -11.981 1.824 660 HE ARG 88 HE ARG 88 -0.078 -13.733 3.290 661 HH11 ARG 88 2HH1 ARG 88 -0.056 -14.896 0.008 662 HH12 ARG 88 1HH1 ARG 88 0.034 -16.565 0.463 663 HH21 ARG 88 2HH2 ARG 88 0.042 -15.927 3.900 664 HH22 ARG 88 1HH2 ARG 88 0.090 -17.151 2.677 665 H GLY 89 H GLY 89 -4.795 -11.329 -0.918 666 HA2 GLY 89 1HA GLY 89 -6.297 -13.150 -1.264 667 HA3 GLY 89 2HA GLY 89 -6.462 -13.305 0.478 668 H GLY 90 H GLY 90 -6.862 -10.439 0.896 669 HA2 GLY 90 1HA GLY 90 -8.752 -9.099 -0.433 670 HA3 GLY 90 2HA GLY 90 -9.703 -10.395 0.277 671 H LYS 91 H LYS 91 -7.574 -10.204 2.558 672 HA LYS 91 HA LYS 91 -8.846 -7.922 3.924 673 HB2 LYS 91 1HB LYS 91 -8.718 -9.179 6.009 674 HB3 LYS 91 2HB LYS 91 -9.639 -10.074 4.807 675 HG2 LYS 91 1HG LYS 91 -7.555 -11.377 4.318 676 HG3 LYS 91 2HG LYS 91 -6.820 -10.590 5.717 677 HD2 LYS 91 1HD LYS 91 -9.035 -11.446 6.894 678 HD3 LYS 91 2HD LYS 91 -8.972 -12.638 5.593 679 HE2 LYS 91 1HE LYS 91 -6.562 -12.060 7.279 680 HE3 LYS 91 2HE LYS 91 -7.808 -13.175 7.835 681 HZ1 LYS 91 1HZ LYS 91 -5.743 -13.604 5.939 682 HZ2 LYS 91 2HZ LYS 91 -7.251 -13.911 5.240 683 HZ3 LYS 91 3HZ LYS 91 -6.790 -14.727 6.648 684 H LYS 92 H LYS 92 -7.511 -7.263 5.924 685 HA LYS 92 HA LYS 92 -4.936 -6.466 5.007 686 HB2 LYS 92 1HB LYS 92 -4.746 -5.268 7.062 687 HB3 LYS 92 2HB LYS 92 -6.419 -5.133 6.537 688 HG2 LYS 92 1HG LYS 92 -6.866 -7.122 8.086 689 HG3 LYS 92 2HG LYS 92 -5.282 -6.763 8.778 690 HD2 LYS 92 1HD LYS 92 -6.806 -5.595 10.129 691 HD3 LYS 92 2HD LYS 92 -6.134 -4.372 9.049 692 HE2 LYS 92 1HE LYS 92 -8.108 -4.611 7.593 693 HE3 LYS 92 2HE LYS 92 -8.781 -5.785 8.723 694 HZ1 LYS 92 1HZ LYS 92 -9.459 -3.292 8.856 695 HZ2 LYS 92 2HZ LYS 92 -8.013 -3.132 9.718 696 HZ3 LYS 92 3HZ LYS 92 -9.218 -4.180 10.275 697 H VAL 93 H VAL 93 -2.903 -6.876 6.095 698 HA VAL 93 HA VAL 93 -2.800 -9.551 7.332 699 HB VAL 93 HB VAL 93 -0.706 -8.282 5.563 700 HG11 VAL 93 1HG1 VAL 93 0.473 -9.646 7.035 701 HG12 VAL 93 2HG1 VAL 93 -0.813 -10.853 7.099 702 HG13 VAL 93 3HG1 VAL 93 0.182 -10.698 5.650 703 HG21 VAL 93 1HG2 VAL 93 -1.382 -9.673 3.828 704 HG22 VAL 93 2HG2 VAL 93 -2.276 -10.747 4.903 705 HG23 VAL 93 3HG2 VAL 93 -2.911 -9.145 4.529 706 H SER 94 H SER 94 -0.725 -6.669 6.956 707 HA SER 94 HA SER 94 -0.436 -6.494 9.845 708 HB2 SER 94 1HB SER 94 1.375 -8.048 8.891 709 HB3 SER 94 2HB SER 94 2.057 -6.600 8.152 710 HG SER 94 HG SER 94 1.508 -6.115 10.729 711 H GLU 95 H GLU 95 0.010 -4.451 10.566 712 HA GLU 95 HA GLU 95 -0.212 -2.336 8.586 713 HB2 GLU 95 1HB GLU 95 -1.615 -2.261 10.603 714 HB3 GLU 95 2HB GLU 95 -0.172 -2.199 11.605 715 HG2 GLU 95 1HG GLU 95 0.428 -0.069 10.408 716 HG3 GLU 95 2HG GLU 95 -1.187 -0.110 9.703 717 H HIS 96 H HIS 96 1.257 -0.643 8.339 718 HA HIS 96 HA HIS 96 3.992 -1.309 9.158 719 HB2 HIS 96 1HB HIS 96 3.288 -0.882 6.705 720 HB3 HIS 96 2HB HIS 96 3.258 0.818 7.162 721 HD1 HIS 96 1HD HIS 96 5.792 0.898 8.923 722 HD2 HIS 96 2HD HIS 96 5.568 -0.960 5.214 723 HE1 HIS 96 1HE HIS 96 8.157 0.803 8.075 724 HE2 HIS 96 2HE HIS 96 7.986 -0.248 5.792 725 H SER 97 H SER 97 5.011 -0.165 10.663 726 HA SER 97 HA SER 97 3.883 2.448 11.426 727 HB2 SER 97 1HB SER 97 5.344 0.444 13.164 728 HB3 SER 97 2HB SER 97 4.749 2.016 13.698 729 HG SER 97 HG SER 97 3.427 -0.299 13.530 730 H GLY 98 H GLY 98 6.961 0.711 11.933 731 HA2 GLY 98 1HA GLY 98 8.364 3.221 11.295 732 HA3 GLY 98 2HA GLY 98 9.019 1.912 12.266 733 H GLY 99 H GLY 99 9.544 3.407 9.506 734 HA2 GLY 99 1HA GLY 99 11.259 2.446 8.060 735 HA3 GLY 99 2HA GLY 99 10.381 0.925 8.141 736 H ARG 100 H ARG 100 9.224 4.230 7.534 737 HA ARG 100 HA ARG 100 7.705 3.277 5.262 738 HB2 ARG 100 1HB ARG 100 7.904 5.910 6.702 739 HB3 ARG 100 2HB ARG 100 7.063 5.777 5.163 740 HG2 ARG 100 1HG ARG 100 5.639 3.996 6.188 741 HG3 ARG 100 2HG ARG 100 6.396 4.374 7.737 742 HD2 ARG 100 1HD ARG 100 5.670 6.784 7.304 743 HD3 ARG 100 2HD ARG 100 4.644 6.120 6.033 744 HE ARG 100 HE ARG 100 3.210 5.376 7.646 745 HH11 ARG 100 2HH1 ARG 100 6.292 6.060 9.112 746 HH12 ARG 100 1HH1 ARG 100 5.725 5.805 10.730 747 HH21 ARG 100 2HH2 ARG 100 2.451 5.038 9.771 748 HH22 ARG 100 1HH2 ARG 100 3.542 5.222 11.103 749 H ASP 101 H ASP 101 10.356 2.926 4.737 750 HA ASP 101 HA ASP 101 10.971 5.075 2.816 751 HB2 ASP 101 1HB ASP 101 12.917 3.157 4.116 752 HB3 ASP 101 2HB ASP 101 13.323 4.483 3.030 753 H LEU 102 H LEU 102 12.238 4.305 0.892 754 HA LEU 102 HA LEU 102 10.800 2.495 -0.609 755 HB2 LEU 102 1HB LEU 102 12.205 3.986 -1.752 756 HB3 LEU 102 2HB LEU 102 13.623 3.485 -0.832 757 HG LEU 102 HG LEU 102 13.665 1.360 -2.024 758 HD11 LEU 102 1HD1 LEU 102 12.157 0.823 -3.778 759 HD12 LEU 102 2HD1 LEU 102 11.396 2.412 -3.698 760 HD13 LEU 102 3HD1 LEU 102 11.184 1.264 -2.376 761 HD21 LEU 102 1HD2 LEU 102 13.584 3.864 -3.685 762 HD22 LEU 102 2HD2 LEU 102 14.072 2.304 -4.348 763 HD23 LEU 102 3HD2 LEU 102 14.989 3.029 -3.025 764 H ASP 103 H ASP 103 14.055 1.886 0.723 765 HA ASP 103 HA ASP 103 13.988 -0.891 0.209 766 HB2 ASP 103 1HB ASP 103 16.004 -1.019 1.548 767 HB3 ASP 103 2HB ASP 103 16.073 0.422 0.537 768 H SER 104 H SER 104 13.505 0.960 3.209 769 HA SER 104 HA SER 104 13.068 -1.152 4.946 770 HB2 SER 104 1HB SER 104 11.848 1.616 4.937 771 HB3 SER 104 2HB SER 104 11.713 0.488 6.285 772 HG SER 104 HG SER 104 13.812 0.720 6.717 773 H LEU 105 H LEU 105 11.016 0.130 2.470 774 HA LEU 105 HA LEU 105 8.622 -1.145 3.468 775 HB2 LEU 105 1HB LEU 105 9.320 0.478 1.060 776 HB3 LEU 105 2HB LEU 105 7.830 -0.462 1.078 777 HG LEU 105 HG LEU 105 8.519 1.624 3.143 778 HD11 LEU 105 1HD1 LEU 105 6.513 2.048 0.976 779 HD12 LEU 105 2HD1 LEU 105 8.219 2.361 0.661 780 HD13 LEU 105 3HD1 LEU 105 7.388 3.231 1.950 781 HD21 LEU 105 1HD2 LEU 105 6.857 0.535 4.191 782 HD22 LEU 105 2HD2 LEU 105 6.309 -0.261 2.715 783 HD23 LEU 105 3HD2 LEU 105 5.818 1.399 3.057 784 H HIS 106 H HIS 106 10.940 -1.650 0.838 785 HA HIS 106 HA HIS 106 9.703 -3.784 -0.442 786 HB2 HIS 106 1HB HIS 106 11.760 -2.526 -1.202 787 HB3 HIS 106 2HB HIS 106 12.687 -3.503 -0.068 788 HD1 HIS 106 1HD HIS 106 13.968 -5.071 -1.501 789 HD2 HIS 106 2HD HIS 106 9.995 -4.776 -2.681 790 HE1 HIS 106 1HE HIS 106 13.682 -6.772 -3.332 791 HE2 HIS 106 2HE HIS 106 11.292 -6.515 -4.088 792 H ARG 107 H ARG 107 12.025 -3.838 2.250 793 HA ARG 107 HA ARG 107 12.150 -6.631 2.523 794 HB2 ARG 107 1HB ARG 107 13.260 -6.253 4.567 795 HB3 ARG 107 2HB ARG 107 13.682 -4.875 3.557 796 HG2 ARG 107 1HG ARG 107 11.786 -3.641 4.703 797 HG3 ARG 107 2HG ARG 107 11.760 -4.973 5.858 798 HD2 ARG 107 1HD ARG 107 14.371 -3.685 5.261 799 HD3 ARG 107 2HD ARG 107 13.217 -2.798 6.258 800 HE ARG 107 HE ARG 107 13.533 -4.329 7.955 801 HH11 ARG 107 2HH1 ARG 107 15.079 -5.433 5.037 802 HH12 ARG 107 1HH1 ARG 107 15.951 -6.705 5.826 803 HH21 ARG 107 2HH2 ARG 107 14.675 -6.001 9.005 804 HH22 ARG 107 1HH2 ARG 107 15.720 -7.029 8.082 805 H PHE 108 H PHE 108 10.045 -4.220 4.037 806 HA PHE 108 HA PHE 108 8.750 -5.740 5.917 807 HB2 PHE 108 1HB PHE 108 8.321 -3.362 5.675 808 HB3 PHE 108 2HB PHE 108 7.572 -3.625 4.104 809 HD1 PHE 108 1HD PHE 108 7.164 -3.935 7.724 810 HD2 PHE 108 2HD PHE 108 5.340 -4.520 3.922 811 HE1 PHE 108 1HE PHE 108 4.976 -4.199 8.817 812 HE2 PHE 108 2HE PHE 108 3.149 -4.784 5.010 813 HZ PHE 108 HZ PHE 108 2.964 -4.623 7.461 814 H VAL 109 H VAL 109 7.866 -5.409 2.487 815 HA VAL 109 HA VAL 109 5.732 -7.296 2.638 816 HB VAL 109 HB VAL 109 7.215 -6.252 0.221 817 HG11 VAL 109 1HG1 VAL 109 5.854 -8.461 0.079 818 HG12 VAL 109 2HG1 VAL 109 4.453 -7.393 0.161 819 HG13 VAL 109 3HG1 VAL 109 5.623 -7.217 -1.148 820 HG21 VAL 109 1HG2 VAL 109 6.179 -4.342 0.736 821 HG22 VAL 109 2HG2 VAL 109 4.689 -5.151 0.253 822 HG23 VAL 109 3HG2 VAL 109 5.166 -5.120 1.952 823 H LEU 110 H LEU 110 9.092 -7.446 1.527 824 HA LEU 110 HA LEU 110 9.103 -10.004 0.453 825 HB2 LEU 110 1HB LEU 110 11.250 -8.481 1.910 826 HB3 LEU 110 2HB LEU 110 11.537 -10.024 1.108 827 HG LEU 110 HG LEU 110 10.412 -7.715 -0.429 828 HD11 LEU 110 1HD1 LEU 110 12.238 -6.535 0.158 829 HD12 LEU 110 2HD1 LEU 110 13.032 -7.570 -1.028 830 HD13 LEU 110 3HD1 LEU 110 13.125 -7.965 0.688 831 HD21 LEU 110 1HD2 LEU 110 11.083 -10.361 -1.018 832 HD22 LEU 110 2HD2 LEU 110 12.367 -9.382 -1.728 833 HD23 LEU 110 3HD2 LEU 110 10.684 -9.078 -2.161 834 H SER 111 H SER 111 9.470 -8.969 3.811 835 HA SER 111 HA SER 111 9.975 -11.615 4.792 836 HB2 SER 111 1HB SER 111 10.878 -9.820 6.077 837 HB3 SER 111 2HB SER 111 9.319 -9.002 6.156 838 HG SER 111 HG SER 111 9.995 -10.236 8.074 839 H GLN 112 H GLN 112 7.195 -9.398 4.925 840 HA GLN 112 HA GLN 112 5.446 -11.071 6.308 841 HB2 GLN 112 1HB GLN 112 5.069 -8.792 4.403 842 HB3 GLN 112 2HB GLN 112 3.670 -9.716 4.934 843 HG2 GLN 112 1HG GLN 112 5.574 -8.122 6.622 844 HG3 GLN 112 2HG GLN 112 3.856 -7.831 6.353 845 HE21 GLN 112 1HE2 GLN 112 6.211 -9.572 8.144 846 HE22 GLN 112 2HE2 GLN 112 5.124 -10.374 9.219 847 H ALA 113 H ALA 113 5.434 -10.466 2.790 848 HA ALA 113 HA ALA 113 3.640 -12.394 2.025 849 HB1 ALA 113 1HB ALA 113 4.573 -12.278 -0.165 850 HB2 ALA 113 2HB ALA 113 4.707 -10.673 0.555 851 HB3 ALA 113 3HB ALA 113 6.124 -11.720 0.462 852 H LYS 114 H LYS 114 7.186 -12.818 2.058 853 HA LYS 114 HA LYS 114 7.425 -15.424 1.367 854 HB2 LYS 114 1HB LYS 114 8.922 -13.713 3.297 855 HB3 LYS 114 2HB LYS 114 9.286 -15.434 3.260 856 HG2 LYS 114 1HG LYS 114 9.816 -15.287 0.890 857 HG3 LYS 114 2HG LYS 114 9.414 -13.568 0.899 858 HD2 LYS 114 1HD LYS 114 11.731 -13.568 1.095 859 HD3 LYS 114 2HD LYS 114 11.190 -13.397 2.767 860 HE2 LYS 114 1HE LYS 114 12.820 -15.034 2.927 861 HE3 LYS 114 2HE LYS 114 11.337 -15.979 2.825 862 HZ1 LYS 114 1HZ LYS 114 11.750 -16.258 0.443 863 HZ2 LYS 114 2HZ LYS 114 13.010 -16.893 1.375 864 HZ3 LYS 114 3HZ LYS 114 13.206 -15.409 0.589 865 H ASP 115 H ASP 115 6.081 -17.011 1.967 866 HA ASP 115 HA ASP 115 5.807 -17.543 4.848 867 HB2 ASP 115 1HB ASP 115 3.517 -18.039 4.659 868 HB3 ASP 115 2HB ASP 115 3.719 -16.575 3.701 869 H GLU 116 H GLU 116 6.331 -19.548 5.451 870 HA GLU 116 HA GLU 116 7.448 -21.377 3.612 871 HB2 GLU 116 1HB GLU 116 7.470 -22.943 5.582 872 HB3 GLU 116 2HB GLU 116 8.264 -21.397 5.848 873 HG2 GLU 116 1HG GLU 116 6.301 -20.581 7.037 874 HG3 GLU 116 2HG GLU 116 5.486 -22.118 6.754 875 H LEU 117 H LEU 117 5.634 -21.524 2.101 876 HA LEU 117 HA LEU 117 3.718 -22.447 1.247 877 HB2 LEU 117 1HB LEU 117 5.208 -24.603 2.644 878 HB3 LEU 117 2HB LEU 117 3.598 -24.976 2.033 879 HG LEU 117 HG LEU 117 5.327 -25.661 0.459 880 HD11 LEU 117 1HD1 LEU 117 4.261 -23.397 -1.042 881 HD12 LEU 117 2HD1 LEU 117 3.042 -24.274 -0.117 882 HD13 LEU 117 3HD1 LEU 117 4.044 -25.129 -1.289 883 HD21 LEU 117 1HD2 LEU 117 6.673 -23.425 1.255 884 HD22 LEU 117 2HD2 LEU 117 6.075 -22.943 -0.333 885 HD23 LEU 117 3HD2 LEU 117 7.066 -24.394 -0.166 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -2.057 -11.679 -17.266 2 HA2 GLY 1 1HA GLY 1 -4.010 -10.578 -19.193 3 HA3 GLY 1 2HA GLY 1 -4.232 -10.483 -17.452 4 H SER 2 H SER 2 -4.429 -8.192 -17.688 5 HA SER 2 HA SER 2 -2.356 -6.590 -18.772 6 HB2 SER 2 1HB SER 2 -4.720 -6.041 -17.000 7 HB3 SER 2 2HB SER 2 -3.532 -4.778 -17.322 8 HG SER 2 HG SER 2 -4.010 -5.683 -19.655 9 H SER 3 H SER 3 -0.365 -7.002 -17.931 10 HA SER 3 HA SER 3 0.170 -7.415 -15.185 11 HB2 SER 3 1HB SER 3 2.033 -6.548 -17.408 12 HB3 SER 3 2HB SER 3 2.543 -7.120 -15.821 13 HG SER 3 HG SER 3 2.590 -8.822 -17.295 14 H GLY 4 H GLY 4 -1.114 -5.577 -14.360 15 HA2 GLY 4 1HA GLY 4 -1.337 -3.433 -13.542 16 HA3 GLY 4 2HA GLY 4 0.385 -3.593 -13.233 17 H SER 5 H SER 5 -2.048 -2.217 -15.272 18 HA SER 5 HA SER 5 -0.662 -1.342 -17.466 19 HB2 SER 5 1HB SER 5 -3.151 -0.931 -16.652 20 HB3 SER 5 2HB SER 5 -2.482 0.613 -16.123 21 HG SER 5 HG SER 5 -3.303 0.073 -18.499 22 H SER 6 H SER 6 -1.108 0.605 -14.507 23 HA SER 6 HA SER 6 1.110 2.312 -15.277 24 HB2 SER 6 1HB SER 6 -0.560 2.442 -12.757 25 HB3 SER 6 2HB SER 6 0.459 3.716 -13.429 26 HG SER 6 HG SER 6 -1.334 4.309 -14.360 27 H GLY 7 H GLY 7 3.105 1.616 -14.876 28 HA2 GLY 7 1HA GLY 7 3.660 -0.256 -12.751 29 HA3 GLY 7 2HA GLY 7 4.826 0.421 -13.879 30 H THR 8 H THR 8 2.989 2.859 -12.503 31 HA THR 8 HA THR 8 5.186 3.517 -10.671 32 HB THR 8 HB THR 8 4.003 5.818 -10.677 33 HG1 THR 8 1HG THR 8 2.128 5.508 -11.725 34 HG21 THR 8 1HG2 THR 8 5.108 5.125 -13.366 35 HG22 THR 8 2HG2 THR 8 6.139 4.991 -11.942 36 HG23 THR 8 3HG2 THR 8 5.410 6.541 -12.360 37 H VAL 9 H VAL 9 1.628 3.729 -10.824 38 HA VAL 9 HA VAL 9 1.412 2.807 -8.097 39 HB VAL 9 HB VAL 9 0.694 5.638 -8.835 40 HG11 VAL 9 1HG1 VAL 9 -0.247 4.074 -6.433 41 HG12 VAL 9 2HG1 VAL 9 -0.489 5.802 -6.699 42 HG13 VAL 9 3HG1 VAL 9 -1.254 4.627 -7.771 43 HG21 VAL 9 1HG2 VAL 9 2.398 4.369 -6.706 44 HG22 VAL 9 2HG2 VAL 9 2.895 5.481 -7.980 45 HG23 VAL 9 3HG2 VAL 9 1.895 6.057 -6.648 46 H LEU 10 H LEU 10 -0.625 2.027 -7.595 47 HA LEU 10 HA LEU 10 -2.452 1.810 -9.878 48 HB2 LEU 10 1HB LEU 10 -2.052 0.157 -7.404 49 HB3 LEU 10 2HB LEU 10 -3.478 -0.022 -8.424 50 HG LEU 10 HG LEU 10 -0.677 -0.356 -9.473 51 HD11 LEU 10 1HD1 LEU 10 -0.552 -2.476 -8.761 52 HD12 LEU 10 2HD1 LEU 10 -2.273 -2.768 -9.007 53 HD13 LEU 10 3HD1 LEU 10 -1.717 -1.960 -7.541 54 HD21 LEU 10 1HD2 LEU 10 -3.397 -1.180 -10.481 55 HD22 LEU 10 2HD2 LEU 10 -1.865 -1.650 -11.219 56 HD23 LEU 10 3HD2 LEU 10 -2.337 0.050 -11.171 57 H ALA 11 H ALA 11 -4.306 2.890 -9.890 58 HA ALA 11 HA ALA 11 -5.145 4.312 -7.493 59 HB1 ALA 11 1HB ALA 11 -5.330 4.769 -10.308 60 HB2 ALA 11 2HB ALA 11 -6.946 4.808 -9.601 61 HB3 ALA 11 3HB ALA 11 -5.683 5.870 -8.976 62 H LEU 12 H LEU 12 -6.501 3.378 -6.121 63 HA LEU 12 HA LEU 12 -8.397 1.374 -7.130 64 HB2 LEU 12 1HB LEU 12 -7.454 1.903 -4.316 65 HB3 LEU 12 2HB LEU 12 -8.578 0.635 -4.798 66 HG LEU 12 HG LEU 12 -5.633 0.827 -5.384 67 HD11 LEU 12 1HD1 LEU 12 -6.695 -1.681 -4.413 68 HD12 LEU 12 2HD1 LEU 12 -7.066 -0.349 -3.321 69 HD13 LEU 12 3HD1 LEU 12 -5.394 -0.680 -3.769 70 HD21 LEU 12 1HD2 LEU 12 -7.696 -1.000 -6.603 71 HD22 LEU 12 2HD2 LEU 12 -5.959 -1.297 -6.654 72 HD23 LEU 12 3HD2 LEU 12 -6.632 0.131 -7.440 73 H THR 13 H THR 13 -10.576 1.517 -6.709 74 HA THR 13 HA THR 13 -11.515 3.987 -5.409 75 HB THR 13 HB THR 13 -13.315 4.178 -7.061 76 HG1 THR 13 1HG THR 13 -13.709 2.324 -8.041 77 HG21 THR 13 1HG2 THR 13 -10.523 4.585 -7.577 78 HG22 THR 13 2HG2 THR 13 -11.903 5.548 -8.106 79 HG23 THR 13 3HG2 THR 13 -11.351 4.188 -9.082 80 H GLU 14 H GLU 14 -13.722 3.878 -4.597 81 HA GLU 14 HA GLU 14 -14.219 1.664 -3.011 82 HB2 GLU 14 1HB GLU 14 -15.821 4.010 -3.889 83 HB3 GLU 14 2HB GLU 14 -16.694 2.666 -3.166 84 HG2 GLU 14 1HG GLU 14 -14.311 3.901 -1.833 85 HG3 GLU 14 2HG GLU 14 -15.936 4.555 -1.634 86 H ASN 15 H ASN 15 -14.712 2.016 -6.346 87 HA ASN 15 HA ASN 15 -16.777 -0.042 -6.477 88 HB2 ASN 15 1HB ASN 15 -15.643 1.949 -8.373 89 HB3 ASN 15 2HB ASN 15 -16.253 0.448 -9.060 90 HD21 ASN 15 1HD2 ASN 15 -17.053 3.522 -8.221 91 HD22 ASN 15 2HD2 ASN 15 -18.769 3.349 -8.097 92 H ASN 16 H ASN 16 -13.364 0.399 -7.000 93 HA ASN 16 HA ASN 16 -13.127 -2.473 -7.559 94 HB2 ASN 16 1HB ASN 16 -11.168 -1.833 -9.094 95 HB3 ASN 16 2HB ASN 16 -12.797 -1.581 -9.715 96 HD21 ASN 16 1HD2 ASN 16 -10.302 0.135 -7.867 97 HD22 ASN 16 2HD2 ASN 16 -10.537 1.661 -8.643 98 H PHE 17 H PHE 17 -12.837 -1.235 -5.067 99 HA PHE 17 HA PHE 17 -9.963 -0.999 -4.619 100 HB2 PHE 17 1HB PHE 17 -11.230 0.698 -3.523 101 HB3 PHE 17 2HB PHE 17 -12.361 -0.480 -2.865 102 HD1 PHE 17 1HD PHE 17 -11.354 -2.242 -1.245 103 HD2 PHE 17 2HD PHE 17 -9.484 1.454 -2.223 104 HE1 PHE 17 1HE PHE 17 -10.012 -2.381 0.812 105 HE2 PHE 17 2HE PHE 17 -8.138 1.321 -0.168 106 HZ PHE 17 HZ PHE 17 -8.401 -0.598 1.352 107 H ASP 18 H ASP 18 -12.725 -2.950 -3.564 108 HA ASP 18 HA ASP 18 -11.115 -4.695 -1.952 109 HB2 ASP 18 1HB ASP 18 -13.934 -5.118 -2.967 110 HB3 ASP 18 2HB ASP 18 -13.154 -5.981 -1.644 111 H ASP 19 H ASP 19 -12.490 -4.790 -5.194 112 HA ASP 19 HA ASP 19 -11.991 -7.465 -5.811 113 HB2 ASP 19 1HB ASP 19 -12.084 -5.000 -7.551 114 HB3 ASP 19 2HB ASP 19 -11.894 -6.623 -8.209 115 H THR 20 H THR 20 -9.949 -4.611 -6.410 116 HA THR 20 HA THR 20 -7.803 -5.837 -7.632 117 HB THR 20 HB THR 20 -7.598 -3.576 -5.634 118 HG1 THR 20 1HG THR 20 -9.028 -2.872 -7.142 119 HG21 THR 20 1HG2 THR 20 -5.803 -3.106 -7.650 120 HG22 THR 20 2HG2 THR 20 -5.719 -4.858 -7.475 121 HG23 THR 20 3HG2 THR 20 -5.411 -3.817 -6.086 122 H ILE 21 H ILE 21 -7.719 -4.882 -4.199 123 HA ILE 21 HA ILE 21 -5.538 -6.283 -3.386 124 HB ILE 21 HB ILE 21 -6.524 -6.402 -1.133 125 HG12 ILE 21 1HG1 ILE 21 -9.038 -5.484 -2.544 126 HG13 ILE 21 2HG1 ILE 21 -8.804 -7.014 -1.706 127 HG21 ILE 21 1HG2 ILE 21 -6.970 -3.970 -0.875 128 HG22 ILE 21 2HG2 ILE 21 -5.512 -4.333 -1.797 129 HG23 ILE 21 3HG2 ILE 21 -6.981 -3.829 -2.633 130 HD11 ILE 21 1HD1 ILE 21 -8.924 -4.269 -0.490 131 HD12 ILE 21 2HD1 ILE 21 -10.085 -5.584 -0.305 132 HD13 ILE 21 3HD1 ILE 21 -8.473 -5.724 0.397 133 H ALA 22 H ALA 22 -8.813 -7.548 -3.786 134 HA ALA 22 HA ALA 22 -8.582 -10.038 -2.644 135 HB1 ALA 22 1HB ALA 22 -9.971 -9.781 -5.274 136 HB2 ALA 22 2HB ALA 22 -10.469 -10.644 -3.818 137 HB3 ALA 22 3HB ALA 22 -10.569 -8.884 -3.878 138 H GLU 23 H GLU 23 -7.551 -9.026 -5.880 139 HA GLU 23 HA GLU 23 -6.544 -11.664 -6.509 140 HB2 GLU 23 1HB GLU 23 -6.328 -9.049 -8.010 141 HB3 GLU 23 2HB GLU 23 -5.798 -10.609 -8.623 142 HG2 GLU 23 1HG GLU 23 -8.254 -11.324 -8.158 143 HG3 GLU 23 2HG GLU 23 -8.564 -9.588 -8.190 144 H GLY 24 H GLY 24 -4.660 -12.363 -5.761 145 HA2 GLY 24 1HA GLY 24 -2.496 -12.392 -4.997 146 HA3 GLY 24 2HA GLY 24 -2.214 -11.108 -6.162 147 H ILE 25 H ILE 25 -0.636 -10.491 -4.437 148 HA ILE 25 HA ILE 25 -1.767 -9.284 -2.057 149 HB ILE 25 HB ILE 25 1.089 -9.275 -3.037 150 HG12 ILE 25 1HG1 ILE 25 0.045 -10.941 -0.771 151 HG13 ILE 25 2HG1 ILE 25 -0.114 -11.513 -2.428 152 HG21 ILE 25 1HG2 ILE 25 1.710 -8.211 -1.134 153 HG22 ILE 25 2HG2 ILE 25 0.076 -7.562 -1.260 154 HG23 ILE 25 3HG2 ILE 25 0.406 -8.919 -0.182 155 HD11 ILE 25 1HD1 ILE 25 1.869 -12.411 -1.319 156 HD12 ILE 25 2HD1 ILE 25 2.288 -11.415 -2.714 157 HD13 ILE 25 3HD1 ILE 25 2.473 -10.770 -1.083 158 H THR 26 H THR 26 -2.114 -7.165 -1.714 159 HA THR 26 HA THR 26 -1.153 -5.241 -3.719 160 HB THR 26 HB THR 26 -3.968 -5.318 -2.613 161 HG1 THR 26 1HG THR 26 -3.417 -6.849 -4.334 162 HG21 THR 26 1HG2 THR 26 -4.051 -3.539 -4.630 163 HG22 THR 26 2HG2 THR 26 -2.406 -3.265 -4.057 164 HG23 THR 26 3HG2 THR 26 -3.767 -3.084 -2.951 165 H PHE 27 H PHE 27 -0.055 -3.659 -2.783 166 HA PHE 27 HA PHE 27 -0.462 -3.144 0.073 167 HB2 PHE 27 1HB PHE 27 1.844 -3.650 -1.039 168 HB3 PHE 27 2HB PHE 27 1.773 -1.966 -1.546 169 HD1 PHE 27 1HD PHE 27 0.066 -1.585 1.250 170 HD2 PHE 27 2HD PHE 27 3.971 -2.830 0.103 171 HE1 PHE 27 1HE PHE 27 0.931 -0.887 3.447 172 HE2 PHE 27 2HE PHE 27 4.841 -2.136 2.297 173 HZ PHE 27 HZ PHE 27 3.321 -1.164 3.972 174 H ILE 28 H ILE 28 -1.860 -1.575 0.510 175 HA ILE 28 HA ILE 28 -2.135 0.676 -1.343 176 HB ILE 28 HB ILE 28 -3.852 -0.188 0.986 177 HG12 ILE 28 1HG1 ILE 28 -4.551 -0.083 -1.948 178 HG13 ILE 28 2HG1 ILE 28 -3.896 -1.524 -1.180 179 HG21 ILE 28 1HG2 ILE 28 -5.425 1.575 -0.063 180 HG22 ILE 28 2HG2 ILE 28 -4.118 2.115 0.990 181 HG23 ILE 28 3HG2 ILE 28 -3.948 2.239 -0.761 182 HD11 ILE 28 1HD1 ILE 28 -6.053 -0.660 0.408 183 HD12 ILE 28 2HD1 ILE 28 -6.585 -0.605 -1.272 184 HD13 ILE 28 3HD1 ILE 28 -5.943 -2.104 -0.600 185 H LYS 29 H LYS 29 -2.130 2.848 -0.587 186 HA LYS 29 HA LYS 29 -0.828 3.271 2.014 187 HB2 LYS 29 1HB LYS 29 0.853 3.365 0.178 188 HB3 LYS 29 2HB LYS 29 -0.058 4.684 -0.545 189 HG2 LYS 29 1HG LYS 29 0.763 4.999 2.281 190 HG3 LYS 29 2HG LYS 29 2.026 5.084 1.051 191 HD2 LYS 29 1HD LYS 29 -0.514 6.700 0.934 192 HD3 LYS 29 2HD LYS 29 0.975 7.285 1.680 193 HE2 LYS 29 1HE LYS 29 1.126 6.199 -1.082 194 HE3 LYS 29 2HE LYS 29 0.379 7.779 -0.857 195 HZ1 LYS 29 1HZ LYS 29 2.847 7.751 -1.303 196 HZ2 LYS 29 2HZ LYS 29 3.042 7.122 0.254 197 HZ3 LYS 29 3HZ LYS 29 2.346 8.648 0.041 198 H PHE 30 H PHE 30 -2.385 4.275 3.133 199 HA PHE 30 HA PHE 30 -4.102 6.234 1.839 200 HB2 PHE 30 1HB PHE 30 -4.108 5.337 4.727 201 HB3 PHE 30 2HB PHE 30 -5.382 6.217 3.890 202 HD1 PHE 30 1HD PHE 30 -3.729 2.971 4.286 203 HD2 PHE 30 2HD PHE 30 -6.913 5.096 2.425 204 HE1 PHE 30 1HE PHE 30 -4.785 0.837 3.664 205 HE2 PHE 30 2HE PHE 30 -7.974 2.966 1.801 206 HZ PHE 30 HZ PHE 30 -6.911 0.833 2.421 207 H TYR 31 H TYR 31 -3.004 8.094 1.489 208 HA TYR 31 HA TYR 31 -1.656 9.330 3.799 209 HB2 TYR 31 1HB TYR 31 -0.145 10.377 2.357 210 HB3 TYR 31 2HB TYR 31 -0.345 8.785 1.634 211 HD1 TYR 31 1HD TYR 31 -1.764 8.525 -0.396 212 HD2 TYR 31 2HD TYR 31 -0.794 12.351 1.196 213 HE1 TYR 31 1HE TYR 31 -2.407 9.569 -2.529 214 HE2 TYR 31 2HE TYR 31 -1.436 13.405 -0.931 215 HH TYR 31 HH TYR 31 -1.530 12.332 -3.562 216 H ALA 32 H ALA 32 -1.563 11.864 3.376 217 HA ALA 32 HA ALA 32 -4.227 12.794 2.554 218 HB1 ALA 32 1HB ALA 32 -3.283 14.311 4.805 219 HB2 ALA 32 2HB ALA 32 -4.803 13.438 4.599 220 HB3 ALA 32 3HB ALA 32 -3.380 12.598 5.213 221 HA PRO 33 HA PRO 33 -1.773 15.745 0.342 222 HB2 PRO 33 1HB PRO 33 -3.819 17.337 -0.466 223 HB3 PRO 33 2HB PRO 33 -3.479 15.764 -1.197 224 HG2 PRO 33 1HG PRO 33 -5.515 16.489 0.873 225 HG3 PRO 33 2HG PRO 33 -5.687 15.438 -0.545 226 HD2 PRO 33 1HD PRO 33 -5.317 14.463 1.954 227 HD3 PRO 33 2HD PRO 33 -4.694 13.644 0.507 228 H TRP 34 H TRP 34 -3.183 16.178 3.284 229 HA TRP 34 HA TRP 34 -2.484 19.037 3.392 230 HB2 TRP 34 1HB TRP 34 -3.896 18.993 5.524 231 HB3 TRP 34 2HB TRP 34 -4.758 18.843 3.996 232 HD1 TRP 34 HD TRP 34 -6.158 16.675 3.604 233 HE1 TRP 34 1HE TRP 34 -6.694 14.610 5.044 234 HE3 TRP 34 3HE TRP 34 -2.787 17.418 7.376 235 HZ2 TRP 34 2HZ TRP 34 -5.805 13.450 7.460 236 HZ3 TRP 34 3HZ TRP 34 -2.694 15.785 9.214 237 HH2 TRP 34 HH TRP 34 -4.173 13.842 9.253 238 H CYS 35 H CYS 35 -1.064 16.237 3.917 239 HA CYS 35 HA CYS 35 0.083 16.936 6.528 240 HB2 CYS 35 1HB CYS 35 -0.871 14.580 5.930 241 HB3 CYS 35 2HB CYS 35 0.654 14.372 5.076 242 HG CYS 35 HG CYS 35 0.080 14.569 8.408 243 H GLY 36 H GLY 36 2.462 16.490 6.762 244 HA2 GLY 36 1HA GLY 36 3.844 17.725 4.494 245 HA3 GLY 36 2HA GLY 36 4.450 17.618 6.140 246 H HIS 37 H HIS 37 4.195 14.933 6.665 247 HA HIS 37 HA HIS 37 6.505 13.873 5.490 248 HB2 HIS 37 1HB HIS 37 4.257 12.407 6.887 249 HB3 HIS 37 2HB HIS 37 5.861 11.753 6.571 250 HD1 HIS 37 1HD HIS 37 7.685 12.312 8.216 251 HD2 HIS 37 2HD HIS 37 4.219 14.517 8.842 252 HE1 HIS 37 1HE HIS 37 8.031 13.501 10.404 253 HE2 HIS 37 2HE HIS 37 5.887 14.761 10.804 254 H CYS 38 H CYS 38 3.111 13.538 4.656 255 HA CYS 38 HA CYS 38 3.208 11.382 2.923 256 HB2 CYS 38 1HB CYS 38 1.184 12.237 1.933 257 HB3 CYS 38 2HB CYS 38 1.140 12.575 3.660 258 HG CYS 38 HG CYS 38 0.941 14.662 1.110 259 H LYS 39 H LYS 39 4.263 14.674 2.443 260 HA LYS 39 HA LYS 39 4.473 14.638 -0.368 261 HB2 LYS 39 1HB LYS 39 5.740 16.271 1.805 262 HB3 LYS 39 2HB LYS 39 6.288 16.445 0.143 263 HG2 LYS 39 1HG LYS 39 4.280 17.339 -0.565 264 HG3 LYS 39 2HG LYS 39 3.379 16.647 0.785 265 HD2 LYS 39 1HD LYS 39 4.957 18.215 2.200 266 HD3 LYS 39 2HD LYS 39 5.063 19.103 0.678 267 HE2 LYS 39 1HE LYS 39 2.826 19.657 0.692 268 HE3 LYS 39 2HE LYS 39 2.386 18.286 1.710 269 HZ1 LYS 39 1HZ LYS 39 2.408 20.655 2.702 270 HZ2 LYS 39 2HZ LYS 39 4.081 20.430 2.799 271 HZ3 LYS 39 3HZ LYS 39 3.038 19.375 3.611 272 H THR 40 H THR 40 6.724 13.731 2.198 273 HA THR 40 HA THR 40 8.912 13.214 0.436 274 HB THR 40 HB THR 40 8.481 12.229 3.263 275 HG1 THR 40 1HG THR 40 9.570 14.068 3.874 276 HG21 THR 40 1HG2 THR 40 11.141 12.631 1.948 277 HG22 THR 40 2HG2 THR 40 10.248 11.130 1.698 278 HG23 THR 40 3HG2 THR 40 10.718 11.617 3.327 279 H LEU 41 H LEU 41 6.274 11.322 1.743 280 HA LEU 41 HA LEU 41 7.382 8.817 0.802 281 HB2 LEU 41 1HB LEU 41 5.996 9.077 2.892 282 HB3 LEU 41 2HB LEU 41 4.605 9.333 1.841 283 HG LEU 41 HG LEU 41 4.985 7.062 0.890 284 HD11 LEU 41 1HD1 LEU 41 6.393 5.546 2.370 285 HD12 LEU 41 2HD1 LEU 41 7.121 7.023 3.000 286 HD13 LEU 41 3HD1 LEU 41 7.258 6.636 1.285 287 HD21 LEU 41 1HD2 LEU 41 3.414 6.494 2.348 288 HD22 LEU 41 2HD2 LEU 41 3.915 7.802 3.420 289 HD23 LEU 41 3HD2 LEU 41 4.653 6.206 3.570 290 H ALA 42 H ALA 42 5.563 11.352 -0.494 291 HA ALA 42 HA ALA 42 3.763 10.131 -2.205 292 HB1 ALA 42 1HB ALA 42 3.440 12.332 -2.439 293 HB2 ALA 42 2HB ALA 42 5.124 12.714 -2.077 294 HB3 ALA 42 3HB ALA 42 4.661 12.229 -3.707 295 HA PRO 43 HA PRO 43 7.179 9.836 -5.600 296 HB2 PRO 43 1HB PRO 43 9.736 10.376 -4.863 297 HB3 PRO 43 2HB PRO 43 8.624 11.616 -5.456 298 HG2 PRO 43 1HG PRO 43 9.382 10.941 -2.639 299 HG3 PRO 43 2HG PRO 43 9.194 12.534 -3.397 300 HD2 PRO 43 1HD PRO 43 7.282 11.433 -1.828 301 HD3 PRO 43 2HD PRO 43 6.899 12.499 -3.194 302 H THR 44 H THR 44 8.275 9.025 -2.331 303 HA THR 44 HA THR 44 9.892 6.838 -2.943 304 HB THR 44 HB THR 44 8.168 7.168 -0.480 305 HG1 THR 44 1HG THR 44 10.474 7.904 0.207 306 HG21 THR 44 1HG2 THR 44 9.641 4.982 -1.236 307 HG22 THR 44 2HG2 THR 44 9.228 5.407 0.426 308 HG23 THR 44 3HG2 THR 44 10.787 5.884 -0.245 309 H TRP 45 H TRP 45 6.419 6.935 -2.184 310 HA TRP 45 HA TRP 45 5.882 4.220 -2.253 311 HB2 TRP 45 1HB TRP 45 4.317 6.159 -1.649 312 HB3 TRP 45 2HB TRP 45 3.991 6.280 -3.375 313 HD1 TRP 45 HD TRP 45 1.855 5.056 -4.029 314 HE1 TRP 45 1HE TRP 45 0.582 2.976 -3.207 315 HE3 TRP 45 3HE TRP 45 4.996 3.621 -0.260 316 HZ2 TRP 45 2HZ TRP 45 0.871 0.990 -1.223 317 HZ3 TRP 45 3HZ TRP 45 4.425 1.620 1.053 318 HH2 TRP 45 HH TRP 45 2.404 0.334 0.581 319 H GLU 46 H GLU 46 5.717 6.542 -4.951 320 HA GLU 46 HA GLU 46 4.922 4.851 -6.970 321 HB2 GLU 46 1HB GLU 46 6.702 7.265 -6.943 322 HB3 GLU 46 2HB GLU 46 6.434 6.383 -8.439 323 HG2 GLU 46 1HG GLU 46 4.180 6.922 -8.504 324 HG3 GLU 46 2HG GLU 46 4.123 7.309 -6.786 325 H GLU 47 H GLU 47 8.210 5.406 -5.767 326 HA GLU 47 HA GLU 47 9.597 3.857 -7.621 327 HB2 GLU 47 1HB GLU 47 10.222 4.312 -4.698 328 HB3 GLU 47 2HB GLU 47 11.352 3.671 -5.883 329 HG2 GLU 47 1HG GLU 47 10.085 6.400 -5.967 330 HG3 GLU 47 2HG GLU 47 11.730 6.041 -5.445 331 H LEU 48 H LEU 48 8.156 2.918 -4.516 332 HA LEU 48 HA LEU 48 8.992 0.305 -4.340 333 HB2 LEU 48 1HB LEU 48 7.627 1.564 -2.670 334 HB3 LEU 48 2HB LEU 48 6.214 1.271 -3.682 335 HG LEU 48 HG LEU 48 6.481 -1.147 -3.326 336 HD11 LEU 48 1HD1 LEU 48 8.966 -0.242 -2.032 337 HD12 LEU 48 2HD1 LEU 48 8.596 -1.758 -2.854 338 HD13 LEU 48 3HD1 LEU 48 8.076 -1.511 -1.188 339 HD21 LEU 48 1HD2 LEU 48 5.173 -0.979 -1.534 340 HD22 LEU 48 2HD2 LEU 48 5.523 0.750 -1.545 341 HD23 LEU 48 3HD2 LEU 48 6.488 -0.339 -0.547 342 H SER 49 H SER 49 6.140 1.533 -6.072 343 HA SER 49 HA SER 49 5.008 -0.789 -6.957 344 HB2 SER 49 1HB SER 49 3.969 0.461 -8.660 345 HB3 SER 49 2HB SER 49 4.313 1.656 -7.410 346 HG SER 49 HG SER 49 5.405 2.675 -8.872 347 H LYS 50 H LYS 50 7.900 0.788 -8.185 348 HA LYS 50 HA LYS 50 8.199 -0.917 -10.457 349 HB2 LYS 50 1HB LYS 50 10.229 0.825 -9.047 350 HB3 LYS 50 2HB LYS 50 10.454 0.071 -10.620 351 HG2 LYS 50 1HG LYS 50 8.941 1.484 -11.659 352 HG3 LYS 50 2HG LYS 50 8.145 1.909 -10.142 353 HD2 LYS 50 1HD LYS 50 10.125 3.162 -9.449 354 HD3 LYS 50 2HD LYS 50 10.939 2.718 -10.950 355 HE2 LYS 50 1HE LYS 50 8.924 3.814 -12.116 356 HE3 LYS 50 2HE LYS 50 8.592 4.541 -10.545 357 HZ1 LYS 50 1HZ LYS 50 11.310 4.888 -11.139 358 HZ2 LYS 50 2HZ LYS 50 10.115 6.072 -10.964 359 HZ3 LYS 50 3HZ LYS 50 10.413 5.389 -12.484 360 H LYS 51 H LYS 51 9.591 -0.843 -7.202 361 HA LYS 51 HA LYS 51 11.550 -2.665 -7.221 362 HB2 LYS 51 1HB LYS 51 9.263 -2.596 -5.245 363 HB3 LYS 51 2HB LYS 51 10.787 -3.434 -4.980 364 HG2 LYS 51 1HG LYS 51 10.560 -0.475 -5.479 365 HG3 LYS 51 2HG LYS 51 10.623 -1.212 -3.876 366 HD2 LYS 51 1HD LYS 51 12.742 -1.660 -5.968 367 HD3 LYS 51 2HD LYS 51 12.817 -0.345 -4.794 368 HE2 LYS 51 1HE LYS 51 12.768 -1.949 -2.967 369 HE3 LYS 51 2HE LYS 51 12.619 -3.278 -4.116 370 HZ1 LYS 51 1HZ LYS 51 14.800 -2.469 -5.055 371 HZ2 LYS 51 2HZ LYS 51 14.871 -3.190 -3.528 372 HZ3 LYS 51 3HZ LYS 51 14.948 -1.506 -3.672 373 H GLU 52 H GLU 52 11.857 -4.832 -7.445 374 HA GLU 52 HA GLU 52 9.522 -6.387 -8.334 375 HB2 GLU 52 1HB GLU 52 12.372 -6.321 -9.167 376 HB3 GLU 52 2HB GLU 52 11.573 -7.887 -9.187 377 HG2 GLU 52 1HG GLU 52 10.194 -5.593 -10.469 378 HG3 GLU 52 2HG GLU 52 11.582 -6.304 -11.290 379 H PHE 53 H PHE 53 8.817 -7.948 -7.049 380 HA PHE 53 HA PHE 53 10.479 -8.805 -4.807 381 HB2 PHE 53 1HB PHE 53 7.598 -9.534 -5.345 382 HB3 PHE 53 2HB PHE 53 8.470 -9.656 -3.820 383 HD1 PHE 53 1HD PHE 53 6.983 -7.314 -6.242 384 HD2 PHE 53 2HD PHE 53 8.682 -7.796 -2.369 385 HE1 PHE 53 1HE PHE 53 6.207 -5.062 -5.624 386 HE2 PHE 53 2HE PHE 53 7.907 -5.546 -1.746 387 HZ PHE 53 HZ PHE 53 6.667 -4.176 -3.373 388 HA PRO 54 HA PRO 54 11.458 -12.407 -7.332 389 HB2 PRO 54 1HB PRO 54 13.443 -13.283 -5.701 390 HB3 PRO 54 2HB PRO 54 13.670 -11.983 -6.876 391 HG2 PRO 54 1HG PRO 54 13.164 -11.808 -3.930 392 HG3 PRO 54 2HG PRO 54 14.303 -10.884 -4.927 393 HD2 PRO 54 1HD PRO 54 11.914 -9.883 -4.136 394 HD3 PRO 54 2HD PRO 54 12.669 -9.444 -5.681 395 H GLY 55 H GLY 55 11.153 -14.642 -7.081 396 HA2 GLY 55 1HA GLY 55 9.875 -16.406 -6.303 397 HA3 GLY 55 2HA GLY 55 10.882 -16.185 -4.880 398 H LEU 56 H LEU 56 8.626 -13.738 -5.918 399 HA LEU 56 HA LEU 56 6.841 -14.477 -3.696 400 HB2 LEU 56 1HB LEU 56 8.068 -11.849 -4.389 401 HB3 LEU 56 2HB LEU 56 6.467 -11.880 -3.652 402 HG LEU 56 HG LEU 56 8.952 -13.081 -2.434 403 HD11 LEU 56 1HD1 LEU 56 9.331 -10.795 -2.313 404 HD12 LEU 56 2HD1 LEU 56 8.526 -11.145 -0.784 405 HD13 LEU 56 3HD1 LEU 56 7.620 -10.420 -2.112 406 HD21 LEU 56 1HD2 LEU 56 6.869 -12.531 -0.577 407 HD22 LEU 56 2HD2 LEU 56 7.592 -14.084 -0.999 408 HD23 LEU 56 3HD2 LEU 56 6.200 -13.484 -1.903 409 H ALA 57 H ALA 57 4.635 -13.986 -3.954 410 HA ALA 57 HA ALA 57 3.600 -14.345 -6.533 411 HB1 ALA 57 1HB ALA 57 2.573 -14.116 -3.873 412 HB2 ALA 57 2HB ALA 57 1.587 -13.150 -4.971 413 HB3 ALA 57 3HB ALA 57 1.838 -14.867 -5.290 414 H GLY 58 H GLY 58 2.173 -12.889 -7.734 415 HA2 GLY 58 1HA GLY 58 3.382 -10.526 -8.494 416 HA3 GLY 58 2HA GLY 58 1.685 -10.896 -8.768 417 H VAL 59 H VAL 59 3.916 -8.986 -7.043 418 HA VAL 59 HA VAL 59 1.974 -8.110 -5.061 419 HB VAL 59 HB VAL 59 4.821 -7.232 -5.557 420 HG11 VAL 59 1HG1 VAL 59 3.452 -5.434 -4.591 421 HG12 VAL 59 2HG1 VAL 59 2.980 -6.514 -3.277 422 HG13 VAL 59 3HG1 VAL 59 4.666 -6.026 -3.457 423 HG21 VAL 59 1HG2 VAL 59 5.381 -9.049 -4.409 424 HG22 VAL 59 2HG2 VAL 59 4.494 -8.413 -3.023 425 HG23 VAL 59 3HG2 VAL 59 3.684 -9.470 -4.179 426 H LYS 60 H LYS 60 0.833 -6.264 -5.144 427 HA LYS 60 HA LYS 60 1.320 -4.467 -7.431 428 HB2 LYS 60 1HB LYS 60 -1.233 -5.391 -6.141 429 HB3 LYS 60 2HB LYS 60 -1.179 -3.894 -7.063 430 HG2 LYS 60 1HG LYS 60 -0.458 -5.105 -9.037 431 HG3 LYS 60 2HG LYS 60 -0.433 -6.614 -8.121 432 HD2 LYS 60 1HD LYS 60 -2.912 -4.933 -8.391 433 HD3 LYS 60 2HD LYS 60 -2.482 -6.178 -9.567 434 HE2 LYS 60 1HE LYS 60 -2.237 -7.642 -7.377 435 HE3 LYS 60 2HE LYS 60 -3.363 -6.446 -6.738 436 HZ1 LYS 60 1HZ LYS 60 -4.948 -7.671 -7.666 437 HZ2 LYS 60 2HZ LYS 60 -3.845 -8.602 -8.545 438 HZ3 LYS 60 3HZ LYS 60 -4.399 -7.132 -9.172 439 H ILE 61 H ILE 61 1.020 -2.224 -7.113 440 HA ILE 61 HA ILE 61 0.979 -1.369 -4.294 441 HB ILE 61 HB ILE 61 2.746 -0.299 -6.496 442 HG12 ILE 61 1HG1 ILE 61 3.561 -2.373 -5.481 443 HG13 ILE 61 2HG1 ILE 61 4.580 -1.013 -5.017 444 HG21 ILE 61 1HG2 ILE 61 2.032 1.580 -5.240 445 HG22 ILE 61 2HG2 ILE 61 2.226 0.719 -3.714 446 HG23 ILE 61 3HG2 ILE 61 3.646 1.171 -4.657 447 HD11 ILE 61 1HD1 ILE 61 4.263 -2.359 -3.096 448 HD12 ILE 61 2HD1 ILE 61 3.288 -0.906 -2.876 449 HD13 ILE 61 3HD1 ILE 61 2.519 -2.421 -3.347 450 H ALA 62 H ALA 62 -0.833 -0.263 -3.978 451 HA ALA 62 HA ALA 62 -1.716 1.611 -6.077 452 HB1 ALA 62 1HB ALA 62 -3.892 1.038 -4.377 453 HB2 ALA 62 2HB ALA 62 -3.683 0.588 -6.069 454 HB3 ALA 62 3HB ALA 62 -3.143 -0.503 -4.794 455 H GLU 63 H GLU 63 -3.133 3.402 -5.152 456 HA GLU 63 HA GLU 63 -2.276 4.219 -2.471 457 HB2 GLU 63 1HB GLU 63 -0.736 5.515 -3.558 458 HB3 GLU 63 2HB GLU 63 -1.685 5.594 -5.037 459 HG2 GLU 63 1HG GLU 63 -3.113 7.266 -4.124 460 HG3 GLU 63 2HG GLU 63 -2.402 7.076 -2.522 461 H VAL 64 H VAL 64 -3.675 5.659 -1.418 462 HA VAL 64 HA VAL 64 -6.174 6.344 -2.785 463 HB VAL 64 HB VAL 64 -6.034 4.860 -0.158 464 HG11 VAL 64 1HG1 VAL 64 -7.723 6.719 -0.239 465 HG12 VAL 64 2HG1 VAL 64 -8.507 5.852 -1.561 466 HG13 VAL 64 3HG1 VAL 64 -8.390 5.110 0.035 467 HG21 VAL 64 1HG2 VAL 64 -6.325 4.001 -2.867 468 HG22 VAL 64 2HG2 VAL 64 -6.287 3.032 -1.394 469 HG23 VAL 64 3HG2 VAL 64 -7.819 3.670 -1.989 470 H ASP 65 H ASP 65 -7.036 8.262 -2.172 471 HA ASP 65 HA ASP 65 -5.473 9.867 -0.308 472 HB2 ASP 65 1HB ASP 65 -7.455 10.460 -2.466 473 HB3 ASP 65 2HB ASP 65 -7.202 11.652 -1.196 474 H CYS 66 H CYS 66 -6.136 10.456 1.665 475 HA CYS 66 HA CYS 66 -8.641 9.379 2.652 476 HB2 CYS 66 1HB CYS 66 -6.207 10.594 3.909 477 HB3 CYS 66 2HB CYS 66 -7.704 10.501 4.833 478 H THR 67 H THR 67 -8.729 11.579 0.749 479 HA THR 67 HA THR 67 -10.110 13.569 2.429 480 HB THR 67 HB THR 67 -9.547 15.211 0.532 481 HG1 THR 67 1HG THR 67 -7.319 13.530 0.104 482 HG21 THR 67 1HG2 THR 67 -7.063 15.317 1.493 483 HG22 THR 67 2HG2 THR 67 -7.751 14.193 2.665 484 HG23 THR 67 3HG2 THR 67 -8.464 15.792 2.453 485 H ALA 68 H ALA 68 -10.033 11.740 -0.553 486 HA ALA 68 HA ALA 68 -12.701 12.749 -1.261 487 HB1 ALA 68 1HB ALA 68 -10.388 11.905 -2.808 488 HB2 ALA 68 2HB ALA 68 -11.888 11.149 -3.348 489 HB3 ALA 68 3HB ALA 68 -11.762 12.906 -3.278 490 H GLU 69 H GLU 69 -10.865 9.788 -0.678 491 HA GLU 69 HA GLU 69 -13.367 8.249 -0.749 492 HB2 GLU 69 1HB GLU 69 -10.475 7.453 -0.999 493 HB3 GLU 69 2HB GLU 69 -11.731 6.269 -0.664 494 HG2 GLU 69 1HG GLU 69 -11.664 8.088 -3.060 495 HG3 GLU 69 2HG GLU 69 -11.148 6.403 -3.045 496 H ARG 70 H ARG 70 -12.976 9.912 1.447 497 HA ARG 70 HA ARG 70 -11.705 8.923 3.669 498 HB2 ARG 70 1HB ARG 70 -14.426 10.238 3.573 499 HB3 ARG 70 2HB ARG 70 -13.423 10.081 5.008 500 HG2 ARG 70 1HG ARG 70 -11.665 11.319 3.458 501 HG3 ARG 70 2HG ARG 70 -13.143 11.895 2.684 502 HD2 ARG 70 1HD ARG 70 -12.884 12.014 5.656 503 HD3 ARG 70 2HD ARG 70 -12.082 13.230 4.663 504 HE ARG 70 HE ARG 70 -14.925 12.930 5.099 505 HH11 ARG 70 2HH1 ARG 70 -12.410 14.329 3.139 506 HH12 ARG 70 1HH1 ARG 70 -13.420 15.591 2.513 507 HH21 ARG 70 2HH2 ARG 70 -16.263 14.586 4.282 508 HH22 ARG 70 1HH2 ARG 70 -15.611 15.737 3.165 509 H ASN 71 H ASN 71 -14.887 8.004 2.412 510 HA ASN 71 HA ASN 71 -15.954 6.447 4.322 511 HB2 ASN 71 1HB ASN 71 -15.804 6.103 1.357 512 HB3 ASN 71 2HB ASN 71 -16.508 4.808 2.321 513 HD21 ASN 71 1HD2 ASN 71 -16.643 8.352 2.142 514 HD22 ASN 71 2HD2 ASN 71 -18.361 8.461 2.286 515 H ILE 72 H ILE 72 -13.438 5.321 2.068 516 HA ILE 72 HA ILE 72 -13.146 2.778 3.297 517 HB ILE 72 HB ILE 72 -11.297 4.305 1.466 518 HG12 ILE 72 1HG1 ILE 72 -13.119 1.949 0.938 519 HG13 ILE 72 2HG1 ILE 72 -13.493 3.619 0.525 520 HG21 ILE 72 1HG2 ILE 72 -11.127 1.423 2.335 521 HG22 ILE 72 2HG2 ILE 72 -10.090 2.215 1.150 522 HG23 ILE 72 3HG2 ILE 72 -10.039 2.715 2.840 523 HD11 ILE 72 1HD1 ILE 72 -10.937 2.864 -0.545 524 HD12 ILE 72 2HD1 ILE 72 -12.192 1.734 -1.054 525 HD13 ILE 72 3HD1 ILE 72 -12.375 3.458 -1.374 526 H CYS 73 H CYS 73 -10.934 5.581 3.261 527 HA CYS 73 HA CYS 73 -9.012 4.779 4.983 528 HB2 CYS 73 1HB CYS 73 -10.296 7.439 4.527 529 HB3 CYS 73 2HB CYS 73 -9.137 7.277 5.842 530 H SER 74 H SER 74 -11.966 6.468 6.058 531 HA SER 74 HA SER 74 -11.641 6.369 8.760 532 HB2 SER 74 1HB SER 74 -14.034 6.272 6.988 533 HB3 SER 74 2HB SER 74 -14.273 5.914 8.699 534 HG SER 74 HG SER 74 -14.267 8.248 7.742 535 H LYS 75 H LYS 75 -13.083 3.803 6.761 536 HA LYS 75 HA LYS 75 -13.708 1.966 8.707 537 HB2 LYS 75 1HB LYS 75 -14.178 1.751 6.257 538 HB3 LYS 75 2HB LYS 75 -12.497 1.290 6.021 539 HG2 LYS 75 1HG LYS 75 -12.930 -0.596 7.655 540 HG3 LYS 75 2HG LYS 75 -14.645 -0.207 7.490 541 HD2 LYS 75 1HD LYS 75 -14.582 -0.662 5.135 542 HD3 LYS 75 2HD LYS 75 -12.827 -0.848 5.170 543 HE2 LYS 75 1HE LYS 75 -13.430 -3.044 5.241 544 HE3 LYS 75 2HE LYS 75 -13.430 -2.695 6.969 545 HZ1 LYS 75 1HZ LYS 75 -15.850 -2.236 6.755 546 HZ2 LYS 75 2HZ LYS 75 -15.426 -3.845 6.454 547 HZ3 LYS 75 3HZ LYS 75 -15.781 -2.809 5.164 548 H TYR 76 H TYR 76 -10.561 2.720 7.350 549 HA TYR 76 HA TYR 76 -9.299 0.585 8.888 550 HB2 TYR 76 1HB TYR 76 -8.206 2.553 6.871 551 HB3 TYR 76 2HB TYR 76 -7.209 1.388 7.737 552 HD1 TYR 76 1HD TYR 76 -7.982 -1.114 7.536 553 HD2 TYR 76 2HD TYR 76 -9.085 1.963 4.814 554 HE1 TYR 76 1HE TYR 76 -8.472 -2.812 5.825 555 HE2 TYR 76 2HE TYR 76 -9.580 0.274 3.095 556 HH TYR 76 HH TYR 76 -8.682 -2.256 2.693 557 H SER 77 H SER 77 -10.560 2.944 10.158 558 HA SER 77 HA SER 77 -10.064 4.694 11.590 559 HB2 SER 77 1HB SER 77 -8.387 2.387 12.597 560 HB3 SER 77 2HB SER 77 -8.725 3.840 13.536 561 HG SER 77 HG SER 77 -10.279 1.672 13.126 562 H VAL 78 H VAL 78 -8.479 4.871 9.223 563 HA VAL 78 HA VAL 78 -5.746 5.227 9.667 564 HB VAL 78 HB VAL 78 -7.524 6.719 7.732 565 HG11 VAL 78 1HG1 VAL 78 -4.823 6.331 6.847 566 HG12 VAL 78 2HG1 VAL 78 -5.733 7.831 7.032 567 HG13 VAL 78 3HG1 VAL 78 -4.835 7.170 8.398 568 HG21 VAL 78 1HG2 VAL 78 -7.199 4.068 7.776 569 HG22 VAL 78 2HG2 VAL 78 -7.350 4.985 6.277 570 HG23 VAL 78 3HG2 VAL 78 -5.756 4.510 6.864 571 H ARG 79 H ARG 79 -5.547 6.234 11.721 572 HA ARG 79 HA ARG 79 -6.172 9.113 11.720 573 HB2 ARG 79 1HB ARG 79 -5.954 7.160 14.012 574 HB3 ARG 79 2HB ARG 79 -6.018 8.904 14.234 575 HG2 ARG 79 1HG ARG 79 -8.149 7.406 12.746 576 HG3 ARG 79 2HG ARG 79 -8.188 7.621 14.497 577 HD2 ARG 79 1HD ARG 79 -7.893 9.932 12.598 578 HD3 ARG 79 2HD ARG 79 -9.470 9.311 13.085 579 HE ARG 79 HE ARG 79 -8.194 9.741 15.442 580 HH11 ARG 79 2HH1 ARG 79 -8.832 11.710 12.642 581 HH12 ARG 79 1HH1 ARG 79 -8.898 13.191 13.539 582 HH21 ARG 79 2HH2 ARG 79 -8.280 11.684 16.632 583 HH22 ARG 79 1HH2 ARG 79 -8.584 13.176 15.807 584 H GLY 80 H GLY 80 -3.793 7.720 10.620 585 HA2 GLY 80 1HA GLY 80 -1.811 9.432 11.858 586 HA3 GLY 80 2HA GLY 80 -1.509 7.712 12.050 587 H TYR 81 H TYR 81 -1.718 10.359 9.775 588 HA TYR 81 HA TYR 81 -0.804 8.667 7.584 589 HB2 TYR 81 1HB TYR 81 -1.090 11.617 7.277 590 HB3 TYR 81 2HB TYR 81 -1.483 10.327 6.146 591 HD1 TYR 81 2HD TYR 81 -2.627 11.949 9.289 592 HD2 TYR 81 1HD TYR 81 -3.690 9.569 5.926 593 HE1 TYR 81 2HE TYR 81 -4.997 12.127 9.919 594 HE2 TYR 81 1HE TYR 81 -6.064 9.742 6.546 595 HH TYR 81 HH TYR 81 -7.401 10.172 8.609 596 HA PRO 82 HA PRO 82 0.253 8.895 5.651 597 HB2 PRO 82 1HB PRO 82 2.347 7.302 4.984 598 HB3 PRO 82 2HB PRO 82 2.220 8.988 4.468 599 HG2 PRO 82 1HG PRO 82 3.788 7.813 6.730 600 HG3 PRO 82 2HG PRO 82 4.273 9.052 5.558 601 HD2 PRO 82 1HD PRO 82 3.471 9.659 8.072 602 HD3 PRO 82 2HD PRO 82 3.172 10.731 6.689 603 H THR 83 H THR 83 -0.451 6.731 5.289 604 HA THR 83 HA THR 83 -0.041 4.904 7.562 605 HB THR 83 HB THR 83 -2.657 5.275 6.093 606 HG1 THR 83 1HG THR 83 -2.991 6.854 7.448 607 HG21 THR 83 1HG2 THR 83 -1.656 3.220 7.809 608 HG22 THR 83 2HG2 THR 83 -3.241 3.350 7.049 609 HG23 THR 83 3HG2 THR 83 -2.962 4.069 8.634 610 H LEU 84 H LEU 84 0.411 2.836 7.063 611 HA LEU 84 HA LEU 84 0.136 2.017 4.245 612 HB2 LEU 84 1HB LEU 84 2.304 1.071 6.102 613 HB3 LEU 84 2HB LEU 84 2.194 0.845 4.357 614 HG LEU 84 HG LEU 84 2.647 3.498 5.722 615 HD11 LEU 84 1HD1 LEU 84 4.480 1.355 4.893 616 HD12 LEU 84 2HD1 LEU 84 4.697 2.648 6.072 617 HD13 LEU 84 3HD1 LEU 84 4.917 2.976 4.354 618 HD21 LEU 84 1HD2 LEU 84 3.193 4.281 3.479 619 HD22 LEU 84 2HD2 LEU 84 1.541 3.665 3.546 620 HD23 LEU 84 3HD2 LEU 84 2.819 2.687 2.821 621 H LEU 85 H LEU 85 -0.990 0.214 3.902 622 HA LEU 85 HA LEU 85 -1.210 -1.784 6.027 623 HB2 LEU 85 1HB LEU 85 -3.472 -0.312 4.730 624 HB3 LEU 85 2HB LEU 85 -3.700 -1.944 5.353 625 HG LEU 85 HG LEU 85 -2.802 0.419 7.001 626 HD11 LEU 85 1HD1 LEU 85 -4.962 1.011 6.750 627 HD12 LEU 85 2HD1 LEU 85 -5.218 -0.235 7.973 628 HD13 LEU 85 3HD1 LEU 85 -5.466 -0.609 6.267 629 HD21 LEU 85 1HD2 LEU 85 -3.625 -2.381 7.766 630 HD22 LEU 85 2HD2 LEU 85 -3.293 -1.068 8.896 631 HD23 LEU 85 3HD2 LEU 85 -2.002 -1.699 7.874 632 H LEU 86 H LEU 86 -0.658 -3.676 5.197 633 HA LEU 86 HA LEU 86 -0.871 -4.111 2.320 634 HB2 LEU 86 1HB LEU 86 1.257 -4.634 3.252 635 HB3 LEU 86 2HB LEU 86 0.525 -5.609 4.524 636 HG LEU 86 HG LEU 86 -0.309 -7.048 2.477 637 HD11 LEU 86 1HD1 LEU 86 2.187 -6.683 1.152 638 HD12 LEU 86 2HD1 LEU 86 1.332 -5.143 1.201 639 HD13 LEU 86 3HD1 LEU 86 0.554 -6.559 0.498 640 HD21 LEU 86 1HD2 LEU 86 1.166 -8.568 3.218 641 HD22 LEU 86 2HD2 LEU 86 1.590 -7.331 4.402 642 HD23 LEU 86 3HD2 LEU 86 2.552 -7.512 2.933 643 H PHE 87 H PHE 87 -1.975 -5.832 1.393 644 HA PHE 87 HA PHE 87 -3.757 -7.354 3.169 645 HB2 PHE 87 1HB PHE 87 -4.556 -6.084 0.542 646 HB3 PHE 87 2HB PHE 87 -5.585 -7.096 1.551 647 HD1 PHE 87 1HD PHE 87 -3.498 -4.015 1.828 648 HD2 PHE 87 2HD PHE 87 -7.065 -6.048 2.952 649 HE1 PHE 87 1HE PHE 87 -4.246 -2.018 3.057 650 HE2 PHE 87 2HE PHE 87 -7.817 -4.055 4.182 651 HZ PHE 87 HZ PHE 87 -6.408 -2.037 4.236 652 H ARG 88 H ARG 88 -3.888 -9.481 2.749 653 HA ARG 88 HA ARG 88 -2.817 -10.461 0.189 654 HB2 ARG 88 1HB ARG 88 -1.146 -10.731 2.007 655 HB3 ARG 88 2HB ARG 88 -2.309 -11.707 2.896 656 HG2 ARG 88 1HG ARG 88 -2.237 -13.433 1.274 657 HG3 ARG 88 2HG ARG 88 -1.337 -12.419 0.142 658 HD2 ARG 88 1HD ARG 88 0.188 -13.969 1.148 659 HD3 ARG 88 2HD ARG 88 0.534 -12.359 1.777 660 HE ARG 88 HE ARG 88 -0.148 -13.049 3.869 661 HH11 ARG 88 2HH1 ARG 88 -0.939 -15.468 1.494 662 HH12 ARG 88 1HH1 ARG 88 -1.341 -16.677 2.667 663 HH21 ARG 88 2HH2 ARG 88 -0.674 -14.632 5.425 664 HH22 ARG 88 1HH2 ARG 88 -1.191 -16.200 4.904 665 H GLY 89 H GLY 89 -4.449 -11.394 -0.854 666 HA2 GLY 89 1HA GLY 89 -5.895 -13.263 -1.141 667 HA3 GLY 89 2HA GLY 89 -6.103 -13.332 0.603 668 H GLY 90 H GLY 90 -6.623 -10.494 0.907 669 HA2 GLY 90 1HA GLY 90 -8.527 -9.298 -0.575 670 HA3 GLY 90 2HA GLY 90 -9.441 -10.562 0.234 671 H LYS 91 H LYS 91 -7.484 -10.238 2.566 672 HA LYS 91 HA LYS 91 -8.731 -7.818 3.696 673 HB2 LYS 91 1HB LYS 91 -8.751 -8.915 5.863 674 HB3 LYS 91 2HB LYS 91 -9.606 -9.903 4.686 675 HG2 LYS 91 1HG LYS 91 -7.253 -11.055 4.442 676 HG3 LYS 91 2HG LYS 91 -7.020 -10.397 6.064 677 HD2 LYS 91 1HD LYS 91 -9.557 -11.837 5.489 678 HD3 LYS 91 2HD LYS 91 -8.083 -12.792 5.663 679 HE2 LYS 91 1HE LYS 91 -8.850 -12.737 7.833 680 HE3 LYS 91 2HE LYS 91 -7.752 -11.359 7.817 681 HZ1 LYS 91 1HZ LYS 91 -9.423 -10.030 8.347 682 HZ2 LYS 91 2HZ LYS 91 -10.451 -11.368 8.464 683 HZ3 LYS 91 3HZ LYS 91 -10.318 -10.529 7.001 684 H LYS 92 H LYS 92 -7.476 -6.980 5.645 685 HA LYS 92 HA LYS 92 -4.915 -6.198 4.832 686 HB2 LYS 92 1HB LYS 92 -4.746 -5.056 6.892 687 HB3 LYS 92 2HB LYS 92 -6.458 -5.040 6.491 688 HG2 LYS 92 1HG LYS 92 -6.861 -6.867 8.037 689 HG3 LYS 92 2HG LYS 92 -5.138 -6.950 8.409 690 HD2 LYS 92 1HD LYS 92 -5.857 -5.661 10.157 691 HD3 LYS 92 2HD LYS 92 -5.493 -4.397 8.980 692 HE2 LYS 92 1HE LYS 92 -8.228 -5.609 9.137 693 HE3 LYS 92 2HE LYS 92 -7.748 -4.327 10.248 694 HZ1 LYS 92 1HZ LYS 92 -7.998 -4.207 7.305 695 HZ2 LYS 92 2HZ LYS 92 -7.092 -3.061 8.160 696 HZ3 LYS 92 3HZ LYS 92 -8.747 -3.232 8.468 697 H VAL 93 H VAL 93 -2.905 -6.509 6.187 698 HA VAL 93 HA VAL 93 -2.703 -9.263 7.202 699 HB VAL 93 HB VAL 93 -0.731 -7.919 5.350 700 HG11 VAL 93 1HG1 VAL 93 0.386 -10.191 5.444 701 HG12 VAL 93 2HG1 VAL 93 0.544 -9.183 6.884 702 HG13 VAL 93 3HG1 VAL 93 -0.611 -10.516 6.861 703 HG21 VAL 93 1HG2 VAL 93 -2.442 -8.693 3.981 704 HG22 VAL 93 2HG2 VAL 93 -1.301 -10.037 3.983 705 HG23 VAL 93 3HG2 VAL 93 -2.746 -10.106 4.991 706 H SER 94 H SER 94 -0.693 -6.335 6.826 707 HA SER 94 HA SER 94 -0.322 -6.209 9.706 708 HB2 SER 94 1HB SER 94 1.479 -7.730 8.690 709 HB3 SER 94 2HB SER 94 2.125 -6.268 7.945 710 HG SER 94 HG SER 94 2.883 -5.663 9.813 711 H GLU 95 H GLU 95 0.447 -4.192 10.443 712 HA GLU 95 HA GLU 95 0.168 -2.048 8.453 713 HB2 GLU 95 1HB GLU 95 -1.376 -2.149 10.471 714 HB3 GLU 95 2HB GLU 95 0.028 -1.751 11.451 715 HG2 GLU 95 1HG GLU 95 0.231 0.376 10.503 716 HG3 GLU 95 2HG GLU 95 -0.815 -0.034 9.145 717 H HIS 96 H HIS 96 2.089 -1.438 7.691 718 HA HIS 96 HA HIS 96 4.556 -1.772 8.963 719 HB2 HIS 96 1HB HIS 96 4.062 -1.293 6.487 720 HB3 HIS 96 2HB HIS 96 4.013 0.405 6.953 721 HD1 HIS 96 1HD HIS 96 6.399 0.598 8.814 722 HD2 HIS 96 2HD HIS 96 6.458 -1.527 5.245 723 HE1 HIS 96 1HE HIS 96 8.822 0.452 8.158 724 HE2 HIS 96 2HE HIS 96 8.826 -0.763 5.953 725 H SER 97 H SER 97 5.152 -0.884 10.824 726 HA SER 97 HA SER 97 4.549 1.967 11.264 727 HB2 SER 97 1HB SER 97 4.532 -0.294 13.273 728 HB3 SER 97 2HB SER 97 4.506 1.410 13.724 729 HG SER 97 HG SER 97 2.419 1.115 13.552 730 H GLY 98 H GLY 98 6.671 2.214 10.188 731 HA2 GLY 98 1HA GLY 98 8.708 2.722 12.070 732 HA3 GLY 98 2HA GLY 98 9.073 1.223 11.228 733 H GLY 99 H GLY 99 10.801 1.850 10.028 734 HA2 GLY 99 1HA GLY 99 11.152 4.316 8.769 735 HA3 GLY 99 2HA GLY 99 11.945 2.822 8.294 736 H ARG 100 H ARG 100 10.085 5.250 7.168 737 HA ARG 100 HA ARG 100 8.506 3.587 5.349 738 HB2 ARG 100 1HB ARG 100 8.404 6.465 6.172 739 HB3 ARG 100 2HB ARG 100 7.682 5.973 4.646 740 HG2 ARG 100 1HG ARG 100 6.080 4.649 5.687 741 HG3 ARG 100 2HG ARG 100 6.991 4.570 7.197 742 HD2 ARG 100 1HD ARG 100 6.623 7.086 7.355 743 HD3 ARG 100 2HD ARG 100 5.435 6.881 6.068 744 HE ARG 100 HE ARG 100 3.988 6.067 7.626 745 HH11 ARG 100 2HH1 ARG 100 7.229 5.728 8.848 746 HH12 ARG 100 1HH1 ARG 100 6.724 5.145 10.399 747 HH21 ARG 100 2HH2 ARG 100 3.309 5.300 9.664 748 HH22 ARG 100 1HH2 ARG 100 4.493 4.901 10.862 749 H ASP 101 H ASP 101 11.246 3.477 4.936 750 HA ASP 101 HA ASP 101 11.794 5.250 2.674 751 HB2 ASP 101 1HB ASP 101 13.591 3.257 4.074 752 HB3 ASP 101 2HB ASP 101 14.088 4.364 2.797 753 H LEU 102 H LEU 102 12.270 4.493 0.610 754 HA LEU 102 HA LEU 102 10.762 2.640 -0.582 755 HB2 LEU 102 1HB LEU 102 12.132 3.964 -1.951 756 HB3 LEU 102 2HB LEU 102 13.605 3.400 -1.165 757 HG LEU 102 HG LEU 102 13.317 1.204 -2.224 758 HD11 LEU 102 1HD1 LEU 102 10.796 2.468 -3.189 759 HD12 LEU 102 2HD1 LEU 102 11.081 0.836 -2.585 760 HD13 LEU 102 3HD1 LEU 102 11.611 1.281 -4.207 761 HD21 LEU 102 1HD2 LEU 102 14.728 2.337 -3.573 762 HD22 LEU 102 2HD2 LEU 102 13.644 3.720 -3.728 763 HD23 LEU 102 3HD2 LEU 102 13.367 2.268 -4.693 764 H ASP 103 H ASP 103 14.130 1.811 0.254 765 HA ASP 103 HA ASP 103 13.834 -0.947 -0.063 766 HB2 ASP 103 1HB ASP 103 16.001 0.342 0.109 767 HB3 ASP 103 2HB ASP 103 15.753 0.386 1.851 768 H SER 104 H SER 104 13.571 1.055 2.855 769 HA SER 104 HA SER 104 13.214 -0.961 4.731 770 HB2 SER 104 1HB SER 104 12.226 1.881 4.592 771 HB3 SER 104 2HB SER 104 11.822 0.842 5.959 772 HG SER 104 HG SER 104 14.288 0.477 5.860 773 H LEU 105 H LEU 105 11.144 0.031 2.203 774 HA LEU 105 HA LEU 105 8.753 -1.079 3.440 775 HB2 LEU 105 1HB LEU 105 9.280 0.287 0.813 776 HB3 LEU 105 2HB LEU 105 7.730 -0.457 1.201 777 HG LEU 105 HG LEU 105 8.988 1.778 2.786 778 HD11 LEU 105 1HD1 LEU 105 8.289 2.280 0.369 779 HD12 LEU 105 2HD1 LEU 105 7.652 3.311 1.651 780 HD13 LEU 105 3HD1 LEU 105 6.637 2.051 0.947 781 HD21 LEU 105 1HD2 LEU 105 6.330 1.836 3.286 782 HD22 LEU 105 2HD2 LEU 105 7.512 1.002 4.295 783 HD23 LEU 105 3HD2 LEU 105 6.591 0.103 3.089 784 H HIS 106 H HIS 106 10.953 -1.751 0.753 785 HA HIS 106 HA HIS 106 9.628 -3.920 -0.378 786 HB2 HIS 106 1HB HIS 106 11.715 -2.701 -1.221 787 HB3 HIS 106 2HB HIS 106 12.629 -3.753 -0.144 788 HD1 HIS 106 1HD HIS 106 13.646 -5.568 -1.461 789 HD2 HIS 106 2HD HIS 106 9.843 -4.617 -2.840 790 HE1 HIS 106 1HE HIS 106 13.195 -7.169 -3.347 791 HE2 HIS 106 2HE HIS 106 10.924 -6.519 -4.221 792 H ARG 107 H ARG 107 11.885 -3.808 2.342 793 HA ARG 107 HA ARG 107 12.119 -6.588 2.721 794 HB2 ARG 107 1HB ARG 107 12.936 -6.023 4.967 795 HB3 ARG 107 2HB ARG 107 13.673 -5.005 3.737 796 HG2 ARG 107 1HG ARG 107 12.037 -3.227 4.307 797 HG3 ARG 107 2HG ARG 107 11.460 -4.244 5.628 798 HD2 ARG 107 1HD ARG 107 13.075 -2.573 6.405 799 HD3 ARG 107 2HD ARG 107 13.668 -4.218 6.642 800 HE ARG 107 HE ARG 107 14.741 -2.213 4.850 801 HH11 ARG 107 2HH1 ARG 107 14.637 -5.575 5.748 802 HH12 ARG 107 1HH1 ARG 107 16.146 -5.959 4.990 803 HH21 ARG 107 2HH2 ARG 107 16.731 -2.706 3.848 804 HH22 ARG 107 1HH2 ARG 107 17.337 -4.326 3.911 805 H PHE 108 H PHE 108 9.985 -4.195 4.262 806 HA PHE 108 HA PHE 108 8.663 -5.777 6.066 807 HB2 PHE 108 1HB PHE 108 8.145 -3.474 6.069 808 HB3 PHE 108 2HB PHE 108 7.688 -3.489 4.369 809 HD1 PHE 108 2HD PHE 108 5.585 -4.733 3.706 810 HD2 PHE 108 1HD PHE 108 6.554 -3.794 7.742 811 HE1 PHE 108 2HE PHE 108 3.230 -5.052 4.341 812 HE2 PHE 108 1HE PHE 108 4.200 -4.111 8.386 813 HZ PHE 108 HZ PHE 108 2.534 -4.740 6.684 814 H VAL 109 H VAL 109 7.847 -5.340 2.634 815 HA VAL 109 HA VAL 109 5.645 -7.127 2.657 816 HB VAL 109 HB VAL 109 7.346 -6.110 0.382 817 HG11 VAL 109 1HG1 VAL 109 6.502 -7.973 -0.630 818 HG12 VAL 109 2HG1 VAL 109 5.091 -8.045 0.427 819 HG13 VAL 109 3HG1 VAL 109 5.152 -6.868 -0.886 820 HG21 VAL 109 1HG2 VAL 109 5.602 -4.567 -0.029 821 HG22 VAL 109 2HG2 VAL 109 4.511 -5.389 1.086 822 HG23 VAL 109 3HG2 VAL 109 5.906 -4.507 1.708 823 H LEU 110 H LEU 110 9.072 -7.510 1.919 824 HA LEU 110 HA LEU 110 8.955 -10.117 0.877 825 HB2 LEU 110 1HB LEU 110 11.140 -8.603 2.283 826 HB3 LEU 110 2HB LEU 110 11.373 -10.221 1.624 827 HG LEU 110 HG LEU 110 10.455 -7.934 -0.094 828 HD11 LEU 110 1HD1 LEU 110 12.434 -6.991 0.522 829 HD12 LEU 110 2HD1 LEU 110 13.014 -8.060 -0.755 830 HD13 LEU 110 3HD1 LEU 110 13.173 -8.537 0.936 831 HD21 LEU 110 1HD2 LEU 110 10.587 -10.605 -0.579 832 HD22 LEU 110 2HD2 LEU 110 12.170 -10.070 -1.144 833 HD23 LEU 110 3HD2 LEU 110 10.706 -9.352 -1.816 834 H SER 111 H SER 111 9.063 -8.901 4.161 835 HA SER 111 HA SER 111 9.418 -11.557 5.279 836 HB2 SER 111 1HB SER 111 10.452 -9.475 6.282 837 HB3 SER 111 2HB SER 111 8.827 -8.996 6.773 838 HG SER 111 HG SER 111 8.868 -10.437 8.314 839 H GLN 112 H GLN 112 6.864 -9.320 4.587 840 HA GLN 112 HA GLN 112 4.924 -10.530 6.316 841 HB2 GLN 112 1HB GLN 112 4.835 -8.470 4.142 842 HB3 GLN 112 2HB GLN 112 3.338 -9.176 4.737 843 HG2 GLN 112 1HG GLN 112 5.381 -7.673 6.355 844 HG3 GLN 112 2HG GLN 112 3.783 -7.104 5.875 845 HE21 GLN 112 1HE2 GLN 112 4.945 -7.417 8.534 846 HE22 GLN 112 2HE2 GLN 112 3.886 -8.475 9.397 847 H ALA 113 H ALA 113 5.140 -10.359 2.757 848 HA ALA 113 HA ALA 113 3.173 -12.176 2.130 849 HB1 ALA 113 1HB ALA 113 5.605 -11.196 0.768 850 HB2 ALA 113 2HB ALA 113 4.887 -12.675 0.131 851 HB3 ALA 113 3HB ALA 113 3.924 -11.201 0.231 852 H LYS 114 H LYS 114 6.613 -12.854 2.724 853 HA LYS 114 HA LYS 114 6.929 -15.443 2.190 854 HB2 LYS 114 1HB LYS 114 8.410 -13.792 3.589 855 HB3 LYS 114 2HB LYS 114 7.665 -14.593 4.966 856 HG2 LYS 114 1HG LYS 114 9.710 -15.697 4.571 857 HG3 LYS 114 2HG LYS 114 8.441 -16.773 3.980 858 HD2 LYS 114 1HD LYS 114 8.854 -15.711 1.691 859 HD3 LYS 114 2HD LYS 114 10.337 -15.062 2.396 860 HE2 LYS 114 1HE LYS 114 10.744 -17.533 3.118 861 HE3 LYS 114 2HE LYS 114 9.576 -17.903 1.851 862 HZ1 LYS 114 1HZ LYS 114 11.374 -16.102 0.762 863 HZ2 LYS 114 2HZ LYS 114 11.227 -17.749 0.404 864 HZ3 LYS 114 3HZ LYS 114 12.310 -17.236 1.600 865 H ASP 115 H ASP 115 5.266 -16.862 2.248 866 HA ASP 115 HA ASP 115 3.284 -17.075 4.180 867 HB2 ASP 115 1HB ASP 115 2.852 -19.302 3.295 868 HB3 ASP 115 2HB ASP 115 3.209 -18.193 1.974 869 H GLU 116 H GLU 116 4.066 -16.940 6.266 870 HA GLU 116 HA GLU 116 6.090 -18.773 7.205 871 HB2 GLU 116 1HB GLU 116 5.928 -16.457 8.067 872 HB3 GLU 116 2HB GLU 116 4.361 -16.843 8.762 873 HG2 GLU 116 1HG GLU 116 5.262 -18.157 10.416 874 HG3 GLU 116 2HG GLU 116 6.728 -18.494 9.498 875 H LEU 117 H LEU 117 3.988 -20.206 6.168 876 HA LEU 117 HA LEU 117 2.165 -21.008 8.238 877 HB2 LEU 117 1HB LEU 117 1.463 -21.109 5.936 878 HB3 LEU 117 2HB LEU 117 2.800 -22.186 5.539 879 HG LEU 117 HG LEU 117 1.722 -23.850 7.142 880 HD11 LEU 117 1HD1 LEU 117 0.164 -21.836 7.923 881 HD12 LEU 117 2HD1 LEU 117 -0.356 -23.519 7.984 882 HD13 LEU 117 3HD1 LEU 117 -0.859 -22.489 6.644 883 HD21 LEU 117 1HD2 LEU 117 1.471 -23.461 4.460 884 HD22 LEU 117 2HD2 LEU 117 -0.215 -23.491 4.974 885 HD23 LEU 117 3HD2 LEU 117 0.843 -24.853 5.341 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -4.426 -7.533 -26.053 2 HA2 GLY 1 1HA GLY 1 -3.854 -9.717 -24.403 3 HA3 GLY 1 2HA GLY 1 -2.965 -8.201 -24.415 4 H SER 2 H SER 2 -2.660 -8.337 -22.158 5 HA SER 2 HA SER 2 -5.094 -7.812 -20.581 6 HB2 SER 2 1HB SER 2 -3.657 -9.949 -20.143 7 HB3 SER 2 2HB SER 2 -2.552 -8.829 -19.346 8 HG SER 2 HG SER 2 -4.854 -9.860 -18.433 9 H SER 3 H SER 3 -4.979 -5.567 -20.938 10 HA SER 3 HA SER 3 -2.606 -4.166 -19.966 11 HB2 SER 3 1HB SER 3 -4.979 -3.389 -21.620 12 HB3 SER 3 2HB SER 3 -4.079 -2.137 -20.765 13 HG SER 3 HG SER 3 -3.295 -3.766 -22.891 14 H GLY 4 H GLY 4 -2.492 -3.483 -17.938 15 HA2 GLY 4 1HA GLY 4 -4.515 -2.063 -16.609 16 HA3 GLY 4 2HA GLY 4 -4.588 -3.738 -16.082 17 H SER 5 H SER 5 -1.854 -1.589 -16.844 18 HA SER 5 HA SER 5 -0.968 -1.812 -14.057 19 HB2 SER 5 1HB SER 5 0.504 -2.720 -16.496 20 HB3 SER 5 2HB SER 5 1.427 -2.015 -15.168 21 HG SER 5 HG SER 5 1.296 -4.195 -14.794 22 H SER 6 H SER 6 -0.885 0.212 -13.353 23 HA SER 6 HA SER 6 -0.737 2.497 -14.963 24 HB2 SER 6 1HB SER 6 -0.222 3.696 -12.817 25 HB3 SER 6 2HB SER 6 -1.642 2.653 -12.734 26 HG SER 6 HG SER 6 -0.454 1.146 -11.613 27 H GLY 7 H GLY 7 1.787 1.165 -12.811 28 HA2 GLY 7 1HA GLY 7 4.022 0.840 -13.827 29 HA3 GLY 7 2HA GLY 7 3.786 2.397 -14.607 30 H THR 8 H THR 8 2.632 3.694 -12.307 31 HA THR 8 HA THR 8 5.022 3.850 -10.585 32 HB THR 8 HB THR 8 4.241 6.261 -10.181 33 HG1 THR 8 1HG THR 8 2.239 6.274 -11.132 34 HG21 THR 8 1HG2 THR 8 5.146 5.701 -12.999 35 HG22 THR 8 2HG2 THR 8 6.202 5.485 -11.603 36 HG23 THR 8 3HG2 THR 8 5.547 7.080 -11.975 37 H VAL 9 H VAL 9 1.502 4.290 -10.692 38 HA VAL 9 HA VAL 9 1.241 3.146 -8.059 39 HB VAL 9 HB VAL 9 0.598 6.051 -8.534 40 HG11 VAL 9 1HG1 VAL 9 -0.481 5.995 -6.290 41 HG12 VAL 9 2HG1 VAL 9 -1.366 5.106 -7.532 42 HG13 VAL 9 3HG1 VAL 9 -0.397 4.234 -6.344 43 HG21 VAL 9 1HG2 VAL 9 2.825 5.698 -7.741 44 HG22 VAL 9 2HG2 VAL 9 1.863 6.299 -6.391 45 HG23 VAL 9 3HG2 VAL 9 2.264 4.584 -6.494 46 H LEU 10 H LEU 10 -0.657 2.105 -7.857 47 HA LEU 10 HA LEU 10 -2.513 2.229 -10.087 48 HB2 LEU 10 1HB LEU 10 -1.970 0.353 -7.855 49 HB3 LEU 10 2HB LEU 10 -3.609 0.386 -8.505 50 HG LEU 10 HG LEU 10 -2.266 0.123 -10.797 51 HD11 LEU 10 1HD1 LEU 10 -0.229 -0.151 -8.917 52 HD12 LEU 10 2HD1 LEU 10 -0.163 -0.567 -10.630 53 HD13 LEU 10 3HD1 LEU 10 -0.596 -1.794 -9.441 54 HD21 LEU 10 1HD2 LEU 10 -3.772 -1.528 -10.612 55 HD22 LEU 10 2HD2 LEU 10 -3.492 -1.727 -8.882 56 HD23 LEU 10 3HD2 LEU 10 -2.404 -2.488 -10.045 57 H ALA 11 H ALA 11 -4.274 3.446 -10.070 58 HA ALA 11 HA ALA 11 -5.167 4.674 -7.592 59 HB1 ALA 11 1HB ALA 11 -5.605 6.374 -8.946 60 HB2 ALA 11 2HB ALA 11 -5.209 5.387 -10.352 61 HB3 ALA 11 3HB ALA 11 -6.858 5.410 -9.729 62 H LEU 12 H LEU 12 -6.508 3.541 -6.348 63 HA LEU 12 HA LEU 12 -8.499 1.795 -7.612 64 HB2 LEU 12 1HB LEU 12 -7.702 1.918 -4.710 65 HB3 LEU 12 2HB LEU 12 -8.693 0.686 -5.489 66 HG LEU 12 HG LEU 12 -5.745 1.151 -5.935 67 HD11 LEU 12 1HD1 LEU 12 -6.256 -1.450 -5.056 68 HD12 LEU 12 2HD1 LEU 12 -7.222 -0.401 -4.018 69 HD13 LEU 12 3HD1 LEU 12 -5.483 -0.146 -4.155 70 HD21 LEU 12 1HD2 LEU 12 -7.443 -1.080 -7.027 71 HD22 LEU 12 2HD2 LEU 12 -5.770 -0.688 -7.425 72 HD23 LEU 12 3HD2 LEU 12 -7.073 0.384 -7.940 73 H THR 13 H THR 13 -10.683 1.815 -6.874 74 HA THR 13 HA THR 13 -11.495 4.358 -5.620 75 HB THR 13 HB THR 13 -13.419 4.490 -7.028 76 HG1 THR 13 1HG THR 13 -12.641 2.109 -8.363 77 HG21 THR 13 1HG2 THR 13 -12.436 4.773 -9.216 78 HG22 THR 13 2HG2 THR 13 -11.095 3.710 -8.791 79 HG23 THR 13 3HG2 THR 13 -11.266 5.274 -7.995 80 H GLU 14 H GLU 14 -14.053 4.054 -5.116 81 HA GLU 14 HA GLU 14 -14.103 1.976 -3.103 82 HB2 GLU 14 1HB GLU 14 -14.980 4.433 -2.925 83 HB3 GLU 14 2HB GLU 14 -16.418 3.783 -3.698 84 HG2 GLU 14 1HG GLU 14 -16.262 1.992 -1.798 85 HG3 GLU 14 2HG GLU 14 -15.309 3.236 -0.992 86 H ASN 15 H ASN 15 -14.140 1.122 -5.863 87 HA ASN 15 HA ASN 15 -16.682 -0.351 -5.824 88 HB2 ASN 15 1HB ASN 15 -17.047 1.273 -7.522 89 HB3 ASN 15 2HB ASN 15 -15.425 1.060 -8.176 90 HD21 ASN 15 1HD2 ASN 15 -15.064 -0.478 -9.672 91 HD22 ASN 15 2HD2 ASN 15 -16.279 -1.540 -10.291 92 H ASN 16 H ASN 16 -13.367 -0.178 -7.053 93 HA ASN 16 HA ASN 16 -13.380 -3.100 -7.374 94 HB2 ASN 16 1HB ASN 16 -11.277 -2.701 -8.712 95 HB3 ASN 16 2HB ASN 16 -12.747 -2.030 -9.415 96 HD21 ASN 16 1HD2 ASN 16 -9.918 -1.219 -7.477 97 HD22 ASN 16 2HD2 ASN 16 -9.826 0.432 -7.978 98 H PHE 17 H PHE 17 -11.949 -0.455 -5.651 99 HA PHE 17 HA PHE 17 -9.573 -1.259 -4.721 100 HB2 PHE 17 1HB PHE 17 -10.416 0.729 -3.797 101 HB3 PHE 17 2HB PHE 17 -11.884 -0.055 -3.221 102 HD1 PHE 17 1HD PHE 17 -11.536 -1.897 -1.406 103 HD2 PHE 17 2HD PHE 17 -8.708 1.152 -2.314 104 HE1 PHE 17 1HE PHE 17 -10.507 -2.196 0.809 105 HE2 PHE 17 2HE PHE 17 -7.675 0.858 -0.101 106 HZ PHE 17 HZ PHE 17 -8.574 -0.819 1.464 107 H ASP 18 H ASP 18 -12.675 -2.582 -3.652 108 HA ASP 18 HA ASP 18 -11.627 -4.308 -1.677 109 HB2 ASP 18 1HB ASP 18 -13.863 -5.569 -2.166 110 HB3 ASP 18 2HB ASP 18 -13.913 -3.957 -1.458 111 H ASP 19 H ASP 19 -12.645 -4.944 -5.031 112 HA ASP 19 HA ASP 19 -11.936 -7.650 -5.091 113 HB2 ASP 19 1HB ASP 19 -12.166 -5.577 -7.269 114 HB3 ASP 19 2HB ASP 19 -11.784 -7.262 -7.611 115 H THR 20 H THR 20 -10.103 -4.826 -6.260 116 HA THR 20 HA THR 20 -7.841 -5.936 -7.218 117 HB THR 20 HB THR 20 -7.767 -3.606 -5.296 118 HG1 THR 20 1HG THR 20 -9.283 -3.039 -6.783 119 HG21 THR 20 1HG2 THR 20 -5.604 -4.642 -6.148 120 HG22 THR 20 2HG2 THR 20 -5.818 -2.916 -6.441 121 HG23 THR 20 3HG2 THR 20 -6.082 -4.071 -7.746 122 H ILE 21 H ILE 21 -8.229 -5.101 -3.768 123 HA ILE 21 HA ILE 21 -5.870 -6.415 -2.940 124 HB ILE 21 HB ILE 21 -6.721 -6.179 -0.663 125 HG12 ILE 21 1HG1 ILE 21 -9.265 -5.108 -1.894 126 HG13 ILE 21 2HG1 ILE 21 -9.104 -6.747 -1.274 127 HG21 ILE 21 1HG2 ILE 21 -7.487 -3.597 -1.113 128 HG22 ILE 21 2HG2 ILE 21 -5.819 -4.165 -1.030 129 HG23 ILE 21 3HG2 ILE 21 -6.615 -3.988 -2.595 130 HD11 ILE 21 1HD1 ILE 21 -9.345 -4.185 0.165 131 HD12 ILE 21 2HD1 ILE 21 -9.968 -5.785 0.571 132 HD13 ILE 21 3HD1 ILE 21 -8.274 -5.396 0.872 133 H ALA 22 H ALA 22 -9.060 -7.542 -3.617 134 HA ALA 22 HA ALA 22 -9.075 -9.885 -2.045 135 HB1 ALA 22 1HB ALA 22 -11.099 -10.212 -2.935 136 HB2 ALA 22 2HB ALA 22 -10.874 -8.633 -3.685 137 HB3 ALA 22 3HB ALA 22 -10.492 -10.099 -4.587 138 H GLU 23 H GLU 23 -7.806 -9.169 -5.246 139 HA GLU 23 HA GLU 23 -6.936 -11.953 -5.542 140 HB2 GLU 23 1HB GLU 23 -6.893 -9.699 -7.556 141 HB3 GLU 23 2HB GLU 23 -6.467 -11.375 -7.876 142 HG2 GLU 23 1HG GLU 23 -9.159 -10.804 -6.766 143 HG3 GLU 23 2HG GLU 23 -8.847 -10.405 -8.455 144 H GLY 24 H GLY 24 -4.899 -12.512 -5.146 145 HA2 GLY 24 1HA GLY 24 -2.660 -12.357 -4.665 146 HA3 GLY 24 2HA GLY 24 -2.620 -11.081 -5.872 147 H ILE 25 H ILE 25 -0.876 -10.465 -4.209 148 HA ILE 25 HA ILE 25 -1.898 -9.182 -1.820 149 HB ILE 25 HB ILE 25 0.908 -9.210 -2.938 150 HG12 ILE 25 1HG1 ILE 25 -0.213 -10.827 -0.647 151 HG13 ILE 25 2HG1 ILE 25 -0.080 -11.446 -2.289 152 HG21 ILE 25 1HG2 ILE 25 1.600 -8.456 -0.740 153 HG22 ILE 25 2HG2 ILE 25 0.452 -7.317 -1.440 154 HG23 ILE 25 3HG2 ILE 25 -0.077 -8.446 -0.192 155 HD11 ILE 25 1HD1 ILE 25 1.789 -11.808 -0.417 156 HD12 ILE 25 2HD1 ILE 25 2.150 -11.724 -2.141 157 HD13 ILE 25 3HD1 ILE 25 2.373 -10.301 -1.123 158 H THR 26 H THR 26 -2.305 -7.070 -1.565 159 HA THR 26 HA THR 26 -1.411 -5.200 -3.652 160 HB THR 26 HB THR 26 -4.196 -5.341 -2.484 161 HG1 THR 26 1HG THR 26 -4.309 -6.657 -4.168 162 HG21 THR 26 1HG2 THR 26 -4.414 -3.490 -4.395 163 HG22 THR 26 2HG2 THR 26 -2.739 -3.197 -3.928 164 HG23 THR 26 3HG2 THR 26 -4.022 -3.081 -2.725 165 H PHE 27 H PHE 27 -0.131 -3.767 -2.698 166 HA PHE 27 HA PHE 27 -0.504 -3.113 0.116 167 HB2 PHE 27 1HB PHE 27 1.757 -3.592 -1.167 168 HB3 PHE 27 2HB PHE 27 1.644 -1.879 -1.556 169 HD1 PHE 27 1HD PHE 27 0.748 -3.722 1.551 170 HD2 PHE 27 2HD PHE 27 3.246 -0.808 -0.288 171 HE1 PHE 27 1HE PHE 27 1.708 -3.165 3.747 172 HE2 PHE 27 2HE PHE 27 4.211 -0.246 1.904 173 HZ PHE 27 HZ PHE 27 3.443 -1.426 3.925 174 H ILE 28 H ILE 28 -1.911 -1.556 0.574 175 HA ILE 28 HA ILE 28 -2.249 0.676 -1.297 176 HB ILE 28 HB ILE 28 -3.941 -0.133 1.071 177 HG12 ILE 28 1HG1 ILE 28 -4.786 -0.233 -1.807 178 HG13 ILE 28 2HG1 ILE 28 -3.866 -1.562 -1.110 179 HG21 ILE 28 1HG2 ILE 28 -4.414 1.989 -1.018 180 HG22 ILE 28 2HG2 ILE 28 -5.542 1.520 0.253 181 HG23 ILE 28 3HG2 ILE 28 -4.004 2.274 0.673 182 HD11 ILE 28 1HD1 ILE 28 -6.335 -0.582 0.247 183 HD12 ILE 28 2HD1 ILE 28 -6.445 -1.668 -1.139 184 HD13 ILE 28 3HD1 ILE 28 -5.574 -2.172 0.309 185 H LYS 29 H LYS 29 -2.221 2.844 -0.572 186 HA LYS 29 HA LYS 29 -0.931 3.290 2.033 187 HB2 LYS 29 1HB LYS 29 0.733 3.403 0.176 188 HB3 LYS 29 2HB LYS 29 -0.196 4.719 -0.529 189 HG2 LYS 29 1HG LYS 29 0.647 5.024 2.291 190 HG3 LYS 29 2HG LYS 29 1.900 5.123 1.053 191 HD2 LYS 29 1HD LYS 29 -0.653 6.721 0.954 192 HD3 LYS 29 2HD LYS 29 0.831 7.313 1.705 193 HE2 LYS 29 1HE LYS 29 0.963 6.255 -1.075 194 HE3 LYS 29 2HE LYS 29 0.249 7.846 -0.813 195 HZ1 LYS 29 1HZ LYS 29 2.240 8.665 0.070 196 HZ2 LYS 29 2HZ LYS 29 2.717 7.764 -1.280 197 HZ3 LYS 29 3HZ LYS 29 2.904 7.121 0.273 198 H PHE 30 H PHE 30 -2.510 4.262 3.153 199 HA PHE 30 HA PHE 30 -4.280 6.174 1.878 200 HB2 PHE 30 1HB PHE 30 -4.206 5.457 4.807 201 HB3 PHE 30 2HB PHE 30 -5.551 6.126 3.890 202 HD1 PHE 30 1HD PHE 30 -3.642 3.111 4.670 203 HD2 PHE 30 2HD PHE 30 -6.908 4.722 2.467 204 HE1 PHE 30 1HE PHE 30 -4.482 0.836 4.257 205 HE2 PHE 30 2HE PHE 30 -7.753 2.449 2.051 206 HZ PHE 30 HZ PHE 30 -6.541 0.502 2.947 207 H TYR 31 H TYR 31 -3.299 8.075 1.467 208 HA TYR 31 HA TYR 31 -1.930 9.407 3.713 209 HB2 TYR 31 1HB TYR 31 -0.414 10.404 2.242 210 HB3 TYR 31 2HB TYR 31 -0.591 8.780 1.584 211 HD1 TYR 31 2HD TYR 31 -1.411 12.328 1.095 212 HD2 TYR 31 1HD TYR 31 -1.647 8.411 -0.549 213 HE1 TYR 31 2HE TYR 31 -2.043 13.286 -1.080 214 HE2 TYR 31 1HE TYR 31 -2.278 9.358 -2.730 215 HH TYR 31 HH TYR 31 -3.110 11.290 -3.727 216 H ALA 32 H ALA 32 -1.828 11.939 3.022 217 HA ALA 32 HA ALA 32 -4.539 12.764 2.246 218 HB1 ALA 32 1HB ALA 32 -3.595 12.811 4.867 219 HB2 ALA 32 2HB ALA 32 -3.485 14.482 4.309 220 HB3 ALA 32 3HB ALA 32 -5.026 13.626 4.235 221 HA PRO 33 HA PRO 33 -2.297 15.562 -0.338 222 HB2 PRO 33 1HB PRO 33 -4.378 17.164 -1.026 223 HB3 PRO 33 2HB PRO 33 -4.152 15.542 -1.693 224 HG2 PRO 33 1HG PRO 33 -5.944 16.446 0.528 225 HG3 PRO 33 2HG PRO 33 -6.288 15.320 -0.799 226 HD2 PRO 33 1HD PRO 33 -5.682 14.482 1.703 227 HD3 PRO 33 2HD PRO 33 -5.233 13.562 0.254 228 H TRP 34 H TRP 34 -3.361 16.201 2.704 229 HA TRP 34 HA TRP 34 -2.446 18.999 2.576 230 HB2 TRP 34 1HB TRP 34 -3.865 19.253 4.716 231 HB3 TRP 34 2HB TRP 34 -4.706 19.180 3.171 232 HD1 TRP 34 HD TRP 34 -6.315 17.139 2.748 233 HE1 TRP 34 1HE TRP 34 -7.213 15.259 4.260 234 HE3 TRP 34 3HE TRP 34 -3.159 17.720 6.728 235 HZ2 TRP 34 2HZ TRP 34 -6.657 14.168 6.804 236 HZ3 TRP 34 3HZ TRP 34 -3.409 16.218 8.661 237 HH2 TRP 34 HH TRP 34 -5.123 14.480 8.696 238 H CYS 35 H CYS 35 -1.101 16.316 3.127 239 HA CYS 35 HA CYS 35 -0.041 16.941 5.801 240 HB2 CYS 35 1HB CYS 35 -1.100 14.662 5.379 241 HB3 CYS 35 2HB CYS 35 0.274 14.322 4.334 242 HG CYS 35 HG CYS 35 0.821 13.018 6.678 243 H GLY 36 H GLY 36 2.066 17.437 6.053 244 HA2 GLY 36 1HA GLY 36 3.623 17.980 3.694 245 HA3 GLY 36 2HA GLY 36 4.104 18.282 5.357 246 H HIS 37 H HIS 37 4.263 15.996 6.591 247 HA HIS 37 HA HIS 37 6.603 14.814 5.877 248 HB2 HIS 37 1HB HIS 37 5.266 14.450 8.003 249 HB3 HIS 37 2HB HIS 37 4.337 13.246 7.113 250 HD1 HIS 37 1HD HIS 37 5.128 11.222 8.412 251 HD2 HIS 37 2HD HIS 37 8.249 13.471 6.842 252 HE1 HIS 37 1HE HIS 37 7.194 9.828 8.744 253 HE2 HIS 37 2HE HIS 37 9.081 11.245 7.864 254 H CYS 38 H CYS 38 3.382 13.954 4.731 255 HA CYS 38 HA CYS 38 3.958 11.578 3.418 256 HB2 CYS 38 1HB CYS 38 1.691 12.068 3.506 257 HB3 CYS 38 2HB CYS 38 1.927 13.736 2.999 258 HG CYS 38 HG CYS 38 0.560 11.781 1.163 259 H LYS 39 H LYS 39 4.417 14.906 2.362 260 HA LYS 39 HA LYS 39 4.934 14.609 -0.311 261 HB2 LYS 39 1HB LYS 39 6.228 16.399 1.739 262 HB3 LYS 39 2HB LYS 39 6.622 16.505 0.028 263 HG2 LYS 39 1HG LYS 39 4.599 17.396 -0.528 264 HG3 LYS 39 2HG LYS 39 3.759 16.609 0.810 265 HD2 LYS 39 1HD LYS 39 5.101 18.167 2.331 266 HD3 LYS 39 2HD LYS 39 5.480 19.073 0.864 267 HE2 LYS 39 1HE LYS 39 2.658 18.398 1.645 268 HE3 LYS 39 2HE LYS 39 3.472 19.845 2.238 269 HZ1 LYS 39 1HZ LYS 39 3.913 20.351 -0.187 270 HZ2 LYS 39 2HZ LYS 39 2.316 20.521 0.341 271 HZ3 LYS 39 3HZ LYS 39 2.772 19.158 -0.552 272 H THR 40 H THR 40 7.068 13.870 2.394 273 HA THR 40 HA THR 40 9.369 13.324 0.809 274 HB THR 40 HB THR 40 9.344 13.852 3.299 275 HG1 THR 40 1HG THR 40 11.300 13.216 2.647 276 HG21 THR 40 1HG2 THR 40 7.757 11.540 3.381 277 HG22 THR 40 2HG2 THR 40 8.386 12.457 4.751 278 HG23 THR 40 3HG2 THR 40 9.297 11.090 4.111 279 H LEU 41 H LEU 41 6.565 11.502 1.702 280 HA LEU 41 HA LEU 41 7.792 8.983 0.868 281 HB2 LEU 41 1HB LEU 41 6.486 8.924 2.900 282 HB3 LEU 41 2HB LEU 41 5.094 9.604 2.059 283 HG LEU 41 HG LEU 41 5.230 7.456 0.611 284 HD11 LEU 41 1HD1 LEU 41 6.671 6.519 3.086 285 HD12 LEU 41 2HD1 LEU 41 7.419 6.744 1.506 286 HD13 LEU 41 3HD1 LEU 41 6.159 5.529 1.719 287 HD21 LEU 41 1HD2 LEU 41 3.441 8.056 2.223 288 HD22 LEU 41 2HD2 LEU 41 4.361 7.248 3.491 289 HD23 LEU 41 3HD2 LEU 41 3.746 6.322 2.122 290 H ALA 42 H ALA 42 5.809 11.488 -0.337 291 HA ALA 42 HA ALA 42 4.073 10.371 -2.097 292 HB1 ALA 42 1HB ALA 42 5.687 12.839 -2.109 293 HB2 ALA 42 2HB ALA 42 5.007 12.347 -3.662 294 HB3 ALA 42 3HB ALA 42 3.945 12.617 -2.280 295 HA PRO 43 HA PRO 43 7.476 9.754 -5.462 296 HB2 PRO 43 1HB PRO 43 10.061 10.127 -4.720 297 HB3 PRO 43 2HB PRO 43 9.044 11.429 -5.347 298 HG2 PRO 43 1HG PRO 43 9.737 10.767 -2.512 299 HG3 PRO 43 2HG PRO 43 9.668 12.351 -3.306 300 HD2 PRO 43 1HD PRO 43 7.673 11.427 -1.725 301 HD3 PRO 43 2HD PRO 43 7.375 12.486 -3.118 302 H THR 44 H THR 44 8.398 8.918 -2.156 303 HA THR 44 HA THR 44 9.893 6.616 -2.700 304 HB THR 44 HB THR 44 8.190 7.250 -0.285 305 HG1 THR 44 1HG THR 44 9.887 8.350 0.379 306 HG21 THR 44 1HG2 THR 44 9.834 5.617 0.815 307 HG22 THR 44 2HG2 THR 44 10.169 5.054 -0.822 308 HG23 THR 44 3HG2 THR 44 8.538 4.933 -0.164 309 H TRP 45 H TRP 45 6.418 7.012 -2.094 310 HA TRP 45 HA TRP 45 5.693 4.322 -2.104 311 HB2 TRP 45 1HB TRP 45 4.216 6.244 -1.471 312 HB3 TRP 45 2HB TRP 45 4.039 6.613 -3.185 313 HD1 TRP 45 HD TRP 45 1.878 5.682 -4.164 314 HE1 TRP 45 1HE TRP 45 0.343 3.670 -3.694 315 HE3 TRP 45 3HE TRP 45 4.504 3.533 -0.340 316 HZ2 TRP 45 2HZ TRP 45 0.256 1.465 -1.934 317 HZ3 TRP 45 3HZ TRP 45 3.627 1.474 0.682 318 HH2 TRP 45 HH TRP 45 1.546 0.463 -0.100 319 H GLU 46 H GLU 46 5.973 6.605 -4.804 320 HA GLU 46 HA GLU 46 5.007 4.968 -6.837 321 HB2 GLU 46 1HB GLU 46 6.921 7.268 -6.757 322 HB3 GLU 46 2HB GLU 46 6.719 6.370 -8.255 323 HG2 GLU 46 1HG GLU 46 4.357 6.868 -8.281 324 HG3 GLU 46 2HG GLU 46 4.487 7.681 -6.721 325 H GLU 47 H GLU 47 8.409 5.495 -5.899 326 HA GLU 47 HA GLU 47 9.675 3.775 -7.591 327 HB2 GLU 47 1HB GLU 47 10.256 4.271 -4.668 328 HB3 GLU 47 2HB GLU 47 11.350 3.420 -5.750 329 HG2 GLU 47 1HG GLU 47 10.385 6.191 -6.351 330 HG3 GLU 47 2HG GLU 47 11.781 5.894 -5.317 331 H LEU 48 H LEU 48 8.151 2.916 -4.499 332 HA LEU 48 HA LEU 48 8.808 0.239 -4.377 333 HB2 LEU 48 1HB LEU 48 7.543 1.662 -2.693 334 HB3 LEU 48 2HB LEU 48 6.096 1.300 -3.632 335 HG LEU 48 HG LEU 48 6.422 -1.097 -3.173 336 HD11 LEU 48 1HD1 LEU 48 9.002 -0.227 -2.372 337 HD12 LEU 48 2HD1 LEU 48 8.373 -1.871 -2.468 338 HD13 LEU 48 3HD1 LEU 48 8.206 -0.950 -0.975 339 HD21 LEU 48 1HD2 LEU 48 6.506 0.272 -0.522 340 HD22 LEU 48 2HD2 LEU 48 5.459 -1.033 -1.083 341 HD23 LEU 48 3HD2 LEU 48 5.188 0.619 -1.641 342 H SER 49 H SER 49 6.077 1.752 -6.062 343 HA SER 49 HA SER 49 4.717 -0.472 -6.931 344 HB2 SER 49 1HB SER 49 3.742 0.890 -8.596 345 HB3 SER 49 2HB SER 49 4.172 2.013 -7.306 346 HG SER 49 HG SER 49 5.339 3.013 -8.721 347 H LYS 50 H LYS 50 7.597 1.007 -8.350 348 HA LYS 50 HA LYS 50 7.712 -0.748 -10.591 349 HB2 LYS 50 1HB LYS 50 9.852 0.975 -9.328 350 HB3 LYS 50 2HB LYS 50 10.008 0.153 -10.876 351 HG2 LYS 50 1HG LYS 50 8.396 1.524 -11.890 352 HG3 LYS 50 2HG LYS 50 7.811 2.124 -10.337 353 HD2 LYS 50 1HD LYS 50 10.129 3.115 -10.017 354 HD3 LYS 50 2HD LYS 50 10.406 2.756 -11.724 355 HE2 LYS 50 1HE LYS 50 8.154 4.453 -10.652 356 HE3 LYS 50 2HE LYS 50 9.656 5.079 -11.329 357 HZ1 LYS 50 1HZ LYS 50 7.332 4.042 -12.672 358 HZ2 LYS 50 2HZ LYS 50 8.784 3.402 -13.257 359 HZ3 LYS 50 3HZ LYS 50 8.542 5.076 -13.246 360 H LYS 51 H LYS 51 9.313 -0.674 -7.434 361 HA LYS 51 HA LYS 51 11.209 -2.548 -7.528 362 HB2 LYS 51 1HB LYS 51 9.019 -2.434 -5.446 363 HB3 LYS 51 2HB LYS 51 10.543 -3.287 -5.250 364 HG2 LYS 51 1HG LYS 51 10.361 -0.334 -5.785 365 HG3 LYS 51 2HG LYS 51 10.416 -1.032 -4.165 366 HD2 LYS 51 1HD LYS 51 12.501 -1.798 -6.160 367 HD3 LYS 51 2HD LYS 51 12.614 -0.234 -5.351 368 HE2 LYS 51 1HE LYS 51 12.112 -2.646 -3.687 369 HE3 LYS 51 2HE LYS 51 13.731 -2.415 -4.347 370 HZ1 LYS 51 1HZ LYS 51 13.345 -0.013 -3.382 371 HZ2 LYS 51 2HZ LYS 51 13.933 -1.268 -2.415 372 HZ3 LYS 51 3HZ LYS 51 12.299 -0.842 -2.343 373 H GLU 52 H GLU 52 11.407 -4.805 -7.423 374 HA GLU 52 HA GLU 52 9.014 -6.285 -8.304 375 HB2 GLU 52 1HB GLU 52 11.826 -6.320 -9.272 376 HB3 GLU 52 2HB GLU 52 10.964 -7.851 -9.242 377 HG2 GLU 52 1HG GLU 52 9.108 -6.423 -10.460 378 HG3 GLU 52 2HG GLU 52 10.503 -5.446 -10.911 379 H PHE 53 H PHE 53 8.450 -8.061 -7.192 380 HA PHE 53 HA PHE 53 10.176 -8.844 -4.947 381 HB2 PHE 53 1HB PHE 53 7.249 -9.501 -5.304 382 HB3 PHE 53 2HB PHE 53 8.209 -9.641 -3.834 383 HD1 PHE 53 1HD PHE 53 6.784 -7.207 -6.230 384 HD2 PHE 53 2HD PHE 53 8.409 -7.843 -2.349 385 HE1 PHE 53 1HE PHE 53 6.103 -4.936 -5.578 386 HE2 PHE 53 2HE PHE 53 7.729 -5.572 -1.689 387 HZ PHE 53 HZ PHE 53 6.575 -4.116 -3.304 388 HA PRO 54 HA PRO 54 10.896 -12.469 -7.534 389 HB2 PRO 54 1HB PRO 54 12.988 -13.374 -6.058 390 HB3 PRO 54 2HB PRO 54 13.144 -12.082 -7.256 391 HG2 PRO 54 1HG PRO 54 12.877 -11.884 -4.282 392 HG3 PRO 54 2HG PRO 54 13.950 -10.985 -5.371 393 HD2 PRO 54 1HD PRO 54 11.649 -9.937 -4.399 394 HD3 PRO 54 2HD PRO 54 12.287 -9.519 -6.003 395 H GLY 55 H GLY 55 10.614 -14.709 -7.230 396 HA2 GLY 55 1HA GLY 55 9.388 -16.459 -6.346 397 HA3 GLY 55 2HA GLY 55 10.468 -16.210 -4.982 398 H LEU 56 H LEU 56 8.222 -13.726 -5.896 399 HA LEU 56 HA LEU 56 6.510 -14.453 -3.612 400 HB2 LEU 56 1HB LEU 56 7.781 -11.854 -4.321 401 HB3 LEU 56 2HB LEU 56 6.203 -11.842 -3.536 402 HG LEU 56 HG LEU 56 8.773 -12.969 -2.434 403 HD11 LEU 56 1HD1 LEU 56 8.209 -11.259 -0.629 404 HD12 LEU 56 2HD1 LEU 56 7.085 -10.570 -1.800 405 HD13 LEU 56 3HD1 LEU 56 8.808 -10.642 -2.169 406 HD21 LEU 56 1HD2 LEU 56 6.018 -13.610 -1.825 407 HD22 LEU 56 2HD2 LEU 56 6.855 -12.933 -0.428 408 HD23 LEU 56 3HD2 LEU 56 7.506 -14.356 -1.242 409 H ALA 57 H ALA 57 4.307 -13.851 -3.760 410 HA ALA 57 HA ALA 57 3.138 -14.195 -6.280 411 HB1 ALA 57 1HB ALA 57 1.612 -12.807 -4.136 412 HB2 ALA 57 2HB ALA 57 1.121 -14.121 -5.206 413 HB3 ALA 57 3HB ALA 57 2.184 -14.450 -3.839 414 H GLY 58 H GLY 58 2.025 -12.767 -7.651 415 HA2 GLY 58 1HA GLY 58 3.237 -10.411 -8.338 416 HA3 GLY 58 2HA GLY 58 1.554 -10.770 -8.699 417 H VAL 59 H VAL 59 3.727 -8.928 -6.789 418 HA VAL 59 HA VAL 59 1.685 -7.991 -4.953 419 HB VAL 59 HB VAL 59 4.538 -7.063 -5.315 420 HG11 VAL 59 1HG1 VAL 59 3.874 -6.394 -2.787 421 HG12 VAL 59 2HG1 VAL 59 3.743 -5.294 -4.160 422 HG13 VAL 59 3HG1 VAL 59 2.321 -6.170 -3.592 423 HG21 VAL 59 1HG2 VAL 59 3.346 -9.335 -3.930 424 HG22 VAL 59 2HG2 VAL 59 5.028 -9.028 -4.364 425 HG23 VAL 59 3HG2 VAL 59 4.358 -8.335 -2.887 426 H LYS 60 H LYS 60 0.530 -6.169 -5.141 427 HA LYS 60 HA LYS 60 1.143 -4.391 -7.410 428 HB2 LYS 60 1HB LYS 60 -1.491 -5.189 -6.180 429 HB3 LYS 60 2HB LYS 60 -1.335 -3.801 -7.247 430 HG2 LYS 60 1HG LYS 60 -0.850 -5.115 -9.097 431 HG3 LYS 60 2HG LYS 60 -0.380 -6.501 -8.110 432 HD2 LYS 60 1HD LYS 60 -3.191 -5.427 -8.168 433 HD3 LYS 60 2HD LYS 60 -2.620 -6.662 -9.293 434 HE2 LYS 60 1HE LYS 60 -2.182 -7.063 -6.374 435 HE3 LYS 60 2HE LYS 60 -3.799 -7.314 -7.031 436 HZ1 LYS 60 1HZ LYS 60 -2.610 -9.376 -7.040 437 HZ2 LYS 60 2HZ LYS 60 -1.311 -8.692 -7.880 438 HZ3 LYS 60 3HZ LYS 60 -2.811 -8.871 -8.642 439 H ILE 61 H ILE 61 0.958 -2.156 -7.128 440 HA ILE 61 HA ILE 61 0.764 -1.256 -4.329 441 HB ILE 61 HB ILE 61 2.604 -0.137 -6.447 442 HG12 ILE 61 1HG1 ILE 61 3.367 -2.316 -5.629 443 HG13 ILE 61 2HG1 ILE 61 4.417 -1.030 -5.041 444 HG21 ILE 61 1HG2 ILE 61 2.053 0.647 -3.599 445 HG22 ILE 61 2HG2 ILE 61 3.540 1.100 -4.432 446 HG23 ILE 61 3HG2 ILE 61 1.981 1.649 -5.048 447 HD11 ILE 61 1HD1 ILE 61 2.491 -2.738 -3.551 448 HD12 ILE 61 2HD1 ILE 61 4.155 -2.301 -3.159 449 HD13 ILE 61 3HD1 ILE 61 2.860 -1.123 -2.949 450 H ALA 62 H ALA 62 -1.108 -0.200 -4.164 451 HA ALA 62 HA ALA 62 -1.867 1.650 -6.328 452 HB1 ALA 62 1HB ALA 62 -3.817 0.587 -6.318 453 HB2 ALA 62 2HB ALA 62 -3.372 -0.336 -4.881 454 HB3 ALA 62 3HB ALA 62 -4.106 1.259 -4.713 455 H GLU 63 H GLU 63 -3.472 3.394 -5.355 456 HA GLU 63 HA GLU 63 -2.387 4.414 -2.825 457 HB2 GLU 63 1HB GLU 63 -1.158 5.801 -4.164 458 HB3 GLU 63 2HB GLU 63 -2.299 5.705 -5.497 459 HG2 GLU 63 1HG GLU 63 -3.839 7.166 -4.213 460 HG3 GLU 63 2HG GLU 63 -2.579 7.346 -2.993 461 H VAL 64 H VAL 64 -3.755 5.933 -1.736 462 HA VAL 64 HA VAL 64 -6.433 6.374 -2.740 463 HB VAL 64 HB VAL 64 -5.999 4.720 -0.248 464 HG11 VAL 64 1HG1 VAL 64 -8.507 5.882 -1.448 465 HG12 VAL 64 2HG1 VAL 64 -8.492 4.639 -0.195 466 HG13 VAL 64 3HG1 VAL 64 -7.814 6.234 0.135 467 HG21 VAL 64 1HG2 VAL 64 -7.408 3.066 -1.536 468 HG22 VAL 64 2HG2 VAL 64 -7.134 4.069 -2.960 469 HG23 VAL 64 3HG2 VAL 64 -5.769 3.311 -2.140 470 H ASP 65 H ASP 65 -6.956 8.380 -2.206 471 HA ASP 65 HA ASP 65 -5.503 9.755 -0.108 472 HB2 ASP 65 1HB ASP 65 -7.522 10.668 -2.159 473 HB3 ASP 65 2HB ASP 65 -6.875 11.736 -0.917 474 H CYS 66 H CYS 66 -6.394 10.670 1.729 475 HA CYS 66 HA CYS 66 -8.882 9.428 2.620 476 HB2 CYS 66 1HB CYS 66 -6.662 10.868 4.066 477 HB3 CYS 66 2HB CYS 66 -8.171 10.428 4.859 478 H THR 67 H THR 67 -8.661 11.775 0.734 479 HA THR 67 HA THR 67 -10.345 13.642 2.275 480 HB THR 67 HB THR 67 -9.590 15.365 0.530 481 HG1 THR 67 1HG THR 67 -8.440 13.388 -0.576 482 HG21 THR 67 1HG2 THR 67 -8.870 15.504 2.834 483 HG22 THR 67 2HG2 THR 67 -7.500 15.852 1.780 484 HG23 THR 67 3HG2 THR 67 -7.636 14.276 2.558 485 H ALA 68 H ALA 68 -10.170 11.498 -0.325 486 HA ALA 68 HA ALA 68 -12.695 12.561 -1.408 487 HB1 ALA 68 1HB ALA 68 -10.204 12.166 -2.787 488 HB2 ALA 68 2HB ALA 68 -11.463 11.145 -3.484 489 HB3 ALA 68 3HB ALA 68 -11.705 12.887 -3.368 490 H GLU 69 H GLU 69 -10.725 9.791 -0.593 491 HA GLU 69 HA GLU 69 -12.968 7.994 -1.208 492 HB2 GLU 69 1HB GLU 69 -10.079 7.327 -0.614 493 HB3 GLU 69 2HB GLU 69 -11.332 6.171 -1.043 494 HG2 GLU 69 1HG GLU 69 -10.370 6.434 -3.075 495 HG3 GLU 69 2HG GLU 69 -11.553 7.739 -3.157 496 H ARG 70 H ARG 70 -12.830 9.770 1.129 497 HA ARG 70 HA ARG 70 -12.089 8.879 3.518 498 HB2 ARG 70 1HB ARG 70 -14.995 9.549 3.114 499 HB3 ARG 70 2HB ARG 70 -13.977 9.902 4.503 500 HG2 ARG 70 1HG ARG 70 -13.964 11.959 3.587 501 HG3 ARG 70 2HG ARG 70 -12.645 11.274 2.635 502 HD2 ARG 70 1HD ARG 70 -13.974 12.221 1.002 503 HD3 ARG 70 2HD ARG 70 -14.541 10.552 1.013 504 HE ARG 70 HE ARG 70 -15.972 12.887 2.034 505 HH11 ARG 70 2HH1 ARG 70 -15.858 9.456 1.462 506 HH12 ARG 70 1HH1 ARG 70 -17.561 9.230 1.682 507 HH21 ARG 70 2HH2 ARG 70 -18.216 12.604 2.328 508 HH22 ARG 70 1HH2 ARG 70 -18.902 11.022 2.174 509 H ASN 71 H ASN 71 -15.060 7.652 1.966 510 HA ASN 71 HA ASN 71 -15.989 5.821 3.656 511 HB2 ASN 71 1HB ASN 71 -15.654 5.762 0.699 512 HB3 ASN 71 2HB ASN 71 -16.138 4.262 1.487 513 HD21 ASN 71 1HD2 ASN 71 -16.979 7.649 1.064 514 HD22 ASN 71 2HD2 ASN 71 -18.672 7.454 1.350 515 H ILE 72 H ILE 72 -13.248 5.132 1.483 516 HA ILE 72 HA ILE 72 -12.694 2.585 2.591 517 HB ILE 72 HB ILE 72 -10.913 4.438 1.006 518 HG12 ILE 72 1HG1 ILE 72 -12.431 1.975 0.126 519 HG13 ILE 72 2HG1 ILE 72 -13.004 3.622 -0.110 520 HG21 ILE 72 1HG2 ILE 72 -10.522 1.491 1.479 521 HG22 ILE 72 2HG2 ILE 72 -9.426 2.612 0.674 522 HG23 ILE 72 3HG2 ILE 72 -9.705 2.745 2.410 523 HD11 ILE 72 1HD1 ILE 72 -10.859 4.035 -1.382 524 HD12 ILE 72 2HD1 ILE 72 -10.626 2.287 -1.351 525 HD13 ILE 72 3HD1 ILE 72 -12.042 2.972 -2.146 526 H CYS 73 H CYS 73 -10.800 5.603 2.832 527 HA CYS 73 HA CYS 73 -8.971 4.845 4.717 528 HB2 CYS 73 1HB CYS 73 -10.263 7.456 4.064 529 HB3 CYS 73 2HB CYS 73 -9.256 7.360 5.505 530 H SER 74 H SER 74 -11.951 6.630 5.539 531 HA SER 74 HA SER 74 -11.865 6.460 8.255 532 HB2 SER 74 1HB SER 74 -14.344 6.144 6.542 533 HB3 SER 74 2HB SER 74 -14.324 6.605 8.244 534 HG SER 74 HG SER 74 -13.037 8.440 7.579 535 H LYS 75 H LYS 75 -13.285 4.030 6.078 536 HA LYS 75 HA LYS 75 -14.189 2.204 7.926 537 HB2 LYS 75 1HB LYS 75 -14.666 1.860 5.614 538 HB3 LYS 75 2HB LYS 75 -12.958 1.774 5.206 539 HG2 LYS 75 1HG LYS 75 -13.000 -0.279 6.842 540 HG3 LYS 75 2HG LYS 75 -14.721 -0.275 6.447 541 HD2 LYS 75 1HD LYS 75 -12.546 -0.253 4.363 542 HD3 LYS 75 2HD LYS 75 -13.271 -1.735 4.990 543 HE2 LYS 75 1HE LYS 75 -15.441 -1.070 4.194 544 HE3 LYS 75 2HE LYS 75 -14.826 0.510 3.712 545 HZ1 LYS 75 1HZ LYS 75 -13.247 -1.403 2.459 546 HZ2 LYS 75 2HZ LYS 75 -14.357 -0.348 1.742 547 HZ3 LYS 75 3HZ LYS 75 -14.853 -1.888 2.239 548 H TYR 76 H TYR 76 -10.902 2.755 6.816 549 HA TYR 76 HA TYR 76 -9.921 0.538 8.451 550 HB2 TYR 76 1HB TYR 76 -8.639 2.298 6.370 551 HB3 TYR 76 2HB TYR 76 -7.684 1.247 7.410 552 HD1 TYR 76 1HD TYR 76 -8.007 -1.225 7.289 553 HD2 TYR 76 2HD TYR 76 -9.844 1.428 4.515 554 HE1 TYR 76 1HE TYR 76 -8.405 -3.109 5.758 555 HE2 TYR 76 2HE TYR 76 -10.247 -0.448 2.977 556 HH TYR 76 HH TYR 76 -9.519 -2.633 2.509 557 H SER 77 H SER 77 -11.035 3.042 9.579 558 HA SER 77 HA SER 77 -10.477 4.773 11.006 559 HB2 SER 77 1HB SER 77 -8.957 2.425 12.165 560 HB3 SER 77 2HB SER 77 -9.369 3.897 13.046 561 HG SER 77 HG SER 77 -10.852 1.737 12.711 562 H VAL 78 H VAL 78 -8.924 5.094 8.791 563 HA VAL 78 HA VAL 78 -6.142 5.327 9.570 564 HB VAL 78 HB VAL 78 -7.443 6.328 7.037 565 HG11 VAL 78 1HG1 VAL 78 -4.669 5.408 6.989 566 HG12 VAL 78 2HG1 VAL 78 -5.395 6.866 6.310 567 HG13 VAL 78 3HG1 VAL 78 -4.938 6.818 8.013 568 HG21 VAL 78 1HG2 VAL 78 -6.079 4.023 6.402 569 HG22 VAL 78 2HG2 VAL 78 -6.861 3.618 7.930 570 HG23 VAL 78 3HG2 VAL 78 -7.828 4.177 6.566 571 H ARG 79 H ARG 79 -5.716 6.921 10.977 572 HA ARG 79 HA ARG 79 -6.746 9.609 10.348 573 HB2 ARG 79 1HB ARG 79 -6.356 8.231 12.987 574 HB3 ARG 79 2HB ARG 79 -6.326 9.986 12.884 575 HG2 ARG 79 1HG ARG 79 -8.613 8.447 11.731 576 HG3 ARG 79 2HG ARG 79 -8.537 8.785 13.461 577 HD2 ARG 79 1HD ARG 79 -8.325 11.188 12.954 578 HD3 ARG 79 2HD ARG 79 -8.476 10.821 11.237 579 HE ARG 79 HE ARG 79 -10.591 11.040 13.118 580 HH11 ARG 79 2HH1 ARG 79 -9.574 9.293 10.284 581 HH12 ARG 79 1HH1 ARG 79 -11.188 8.946 9.758 582 HH21 ARG 79 2HH2 ARG 79 -12.721 10.590 12.437 583 HH22 ARG 79 1HH2 ARG 79 -12.978 9.685 10.984 584 H GLY 80 H GLY 80 -4.021 7.680 11.442 585 HA2 GLY 80 1HA GLY 80 -2.284 10.041 11.420 586 HA3 GLY 80 2HA GLY 80 -1.858 8.451 12.037 587 H TYR 81 H TYR 81 -1.799 10.561 9.347 588 HA TYR 81 HA TYR 81 -0.876 8.429 7.558 589 HB2 TYR 81 1HB TYR 81 -1.171 11.242 6.621 590 HB3 TYR 81 2HB TYR 81 -1.496 9.735 5.771 591 HD1 TYR 81 1HD TYR 81 -3.495 8.322 6.911 592 HD2 TYR 81 2HD TYR 81 -2.997 12.541 7.144 593 HE1 TYR 81 1HE TYR 81 -5.898 8.574 7.372 594 HE2 TYR 81 2HE TYR 81 -5.398 12.805 7.608 595 HH TYR 81 HH TYR 81 -7.256 11.417 8.541 596 HA PRO 82 HA PRO 82 0.147 8.688 5.422 597 HB2 PRO 82 1HB PRO 82 2.270 7.121 4.781 598 HB3 PRO 82 2HB PRO 82 2.103 8.789 4.220 599 HG2 PRO 82 1HG PRO 82 3.714 7.709 6.501 600 HG3 PRO 82 2HG PRO 82 4.164 8.925 5.291 601 HD2 PRO 82 1HD PRO 82 3.367 9.585 7.793 602 HD3 PRO 82 2HD PRO 82 3.035 10.612 6.384 603 H THR 83 H THR 83 -0.583 6.540 5.166 604 HA THR 83 HA THR 83 -0.060 4.749 7.444 605 HB THR 83 HB THR 83 -2.751 5.002 6.101 606 HG1 THR 83 1HG THR 83 -3.123 6.003 8.369 607 HG21 THR 83 1HG2 THR 83 -3.358 3.277 7.379 608 HG22 THR 83 2HG2 THR 83 -2.718 4.056 8.825 609 HG23 THR 83 3HG2 THR 83 -1.661 3.074 7.812 610 H LEU 84 H LEU 84 0.265 2.635 6.976 611 HA LEU 84 HA LEU 84 -0.141 1.776 4.190 612 HB2 LEU 84 1HB LEU 84 2.142 0.781 5.851 613 HB3 LEU 84 2HB LEU 84 1.939 0.725 4.101 614 HG LEU 84 HG LEU 84 2.439 3.252 5.670 615 HD11 LEU 84 1HD1 LEU 84 4.254 1.283 5.420 616 HD12 LEU 84 2HD1 LEU 84 4.665 2.997 5.447 617 HD13 LEU 84 3HD1 LEU 84 4.525 2.148 3.907 618 HD21 LEU 84 1HD2 LEU 84 3.249 3.654 3.096 619 HD22 LEU 84 2HD2 LEU 84 1.695 4.157 3.762 620 HD23 LEU 84 3HD2 LEU 84 1.826 2.635 2.878 621 H LEU 85 H LEU 85 -0.937 -0.255 3.882 622 HA LEU 85 HA LEU 85 -1.099 -2.119 6.102 623 HB2 LEU 85 1HB LEU 85 -3.507 -0.848 4.830 624 HB3 LEU 85 2HB LEU 85 -3.590 -2.398 5.664 625 HG LEU 85 HG LEU 85 -2.755 0.214 6.924 626 HD11 LEU 85 1HD1 LEU 85 -4.887 0.257 7.978 627 HD12 LEU 85 2HD1 LEU 85 -5.311 -1.325 7.325 628 HD13 LEU 85 3HD1 LEU 85 -5.160 0.062 6.246 629 HD21 LEU 85 1HD2 LEU 85 -2.718 -2.592 7.805 630 HD22 LEU 85 2HD2 LEU 85 -3.426 -1.450 8.947 631 HD23 LEU 85 3HD2 LEU 85 -1.777 -1.211 8.367 632 H LEU 86 H LEU 86 -0.632 -4.063 5.335 633 HA LEU 86 HA LEU 86 -0.816 -4.566 2.475 634 HB2 LEU 86 1HB LEU 86 1.232 -5.126 3.745 635 HB3 LEU 86 2HB LEU 86 0.302 -6.302 4.671 636 HG LEU 86 HG LEU 86 -0.185 -7.320 2.303 637 HD11 LEU 86 1HD1 LEU 86 1.904 -5.337 1.787 638 HD12 LEU 86 2HD1 LEU 86 0.794 -6.137 0.675 639 HD13 LEU 86 3HD1 LEU 86 2.270 -6.955 1.187 640 HD21 LEU 86 1HD2 LEU 86 0.981 -8.468 4.101 641 HD22 LEU 86 2HD2 LEU 86 2.467 -7.600 3.713 642 HD23 LEU 86 3HD2 LEU 86 1.790 -8.749 2.559 643 H PHE 87 H PHE 87 -1.926 -6.313 1.560 644 HA PHE 87 HA PHE 87 -3.831 -7.717 3.293 645 HB2 PHE 87 1HB PHE 87 -4.529 -6.298 0.713 646 HB3 PHE 87 2HB PHE 87 -5.612 -7.374 1.589 647 HD1 PHE 87 1HD PHE 87 -3.617 -4.265 2.020 648 HD2 PHE 87 2HD PHE 87 -7.030 -6.515 3.200 649 HE1 PHE 87 1HE PHE 87 -4.395 -2.366 3.377 650 HE2 PHE 87 2HE PHE 87 -7.815 -4.620 4.559 651 HZ PHE 87 HZ PHE 87 -6.497 -2.542 4.648 652 H ARG 88 H ARG 88 -4.202 -9.813 2.761 653 HA ARG 88 HA ARG 88 -3.138 -10.808 0.212 654 HB2 ARG 88 1HB ARG 88 -1.525 -11.134 2.168 655 HB3 ARG 88 2HB ARG 88 -2.702 -12.274 2.809 656 HG2 ARG 88 1HG ARG 88 -2.366 -13.788 1.079 657 HG3 ARG 88 2HG ARG 88 -1.643 -12.570 0.026 658 HD2 ARG 88 1HD ARG 88 0.398 -12.702 1.047 659 HD3 ARG 88 2HD ARG 88 -0.288 -13.177 2.599 660 HE ARG 88 HE ARG 88 -0.788 -15.313 1.013 661 HH11 ARG 88 2HH1 ARG 88 2.086 -13.496 1.757 662 HH12 ARG 88 1HH1 ARG 88 3.150 -14.848 1.555 663 HH21 ARG 88 2HH2 ARG 88 0.603 -17.100 0.743 664 HH22 ARG 88 1HH2 ARG 88 2.306 -16.897 0.977 665 H GLY 89 H GLY 89 -4.867 -11.593 -0.806 666 HA2 GLY 89 1HA GLY 89 -6.579 -13.091 -1.240 667 HA3 GLY 89 2HA GLY 89 -6.376 -13.737 0.382 668 H GLY 90 H GLY 90 -6.926 -10.339 -0.291 669 HA2 GLY 90 1HA GLY 90 -8.777 -8.998 0.044 670 HA3 GLY 90 2HA GLY 90 -9.758 -10.452 0.145 671 H LYS 91 H LYS 91 -6.971 -9.548 2.132 672 HA LYS 91 HA LYS 91 -8.563 -8.751 4.370 673 HB2 LYS 91 1HB LYS 91 -7.459 -11.530 4.227 674 HB3 LYS 91 2HB LYS 91 -7.521 -10.708 5.780 675 HG2 LYS 91 1HG LYS 91 -10.005 -10.271 5.143 676 HG3 LYS 91 2HG LYS 91 -9.757 -11.617 4.029 677 HD2 LYS 91 1HD LYS 91 -10.595 -12.585 6.007 678 HD3 LYS 91 2HD LYS 91 -8.859 -12.907 6.027 679 HE2 LYS 91 1HE LYS 91 -9.382 -12.199 8.207 680 HE3 LYS 91 2HE LYS 91 -8.643 -10.799 7.430 681 HZ1 LYS 91 1HZ LYS 91 -10.649 -10.245 8.712 682 HZ2 LYS 91 2HZ LYS 91 -11.569 -11.230 7.690 683 HZ3 LYS 91 3HZ LYS 91 -10.805 -9.853 7.073 684 H LYS 92 H LYS 92 -7.371 -7.672 5.885 685 HA LYS 92 HA LYS 92 -4.897 -6.628 5.207 686 HB2 LYS 92 1HB LYS 92 -4.835 -5.656 7.372 687 HB3 LYS 92 2HB LYS 92 -6.532 -5.737 6.919 688 HG2 LYS 92 1HG LYS 92 -6.796 -7.750 8.285 689 HG3 LYS 92 2HG LYS 92 -5.096 -7.648 8.751 690 HD2 LYS 92 1HD LYS 92 -6.376 -6.691 10.519 691 HD3 LYS 92 2HD LYS 92 -5.584 -5.363 9.668 692 HE2 LYS 92 1HE LYS 92 -7.617 -4.832 8.500 693 HE3 LYS 92 2HE LYS 92 -8.419 -6.256 9.162 694 HZ1 LYS 92 1HZ LYS 92 -7.779 -5.114 11.412 695 HZ2 LYS 92 2HZ LYS 92 -9.174 -4.657 10.573 696 HZ3 LYS 92 3HZ LYS 92 -7.775 -3.712 10.463 697 H VAL 93 H VAL 93 -2.809 -6.883 6.264 698 HA VAL 93 HA VAL 93 -2.329 -9.638 7.197 699 HB VAL 93 HB VAL 93 -0.527 -7.995 5.413 700 HG11 VAL 93 1HG1 VAL 93 0.023 -10.197 7.173 701 HG12 VAL 93 2HG1 VAL 93 0.314 -10.666 5.496 702 HG13 VAL 93 3HG1 VAL 93 1.133 -9.259 6.175 703 HG21 VAL 93 1HG2 VAL 93 -0.958 -9.821 3.778 704 HG22 VAL 93 2HG2 VAL 93 -2.185 -10.456 4.875 705 HG23 VAL 93 3HG2 VAL 93 -2.385 -8.856 4.158 706 H SER 94 H SER 94 -0.605 -6.520 6.961 707 HA SER 94 HA SER 94 -0.324 -6.301 9.799 708 HB2 SER 94 1HB SER 94 1.415 -8.053 9.094 709 HB3 SER 94 2HB SER 94 2.260 -6.724 8.300 710 HG SER 94 HG SER 94 3.013 -7.056 10.431 711 H GLU 95 H GLU 95 0.719 -4.330 10.446 712 HA GLU 95 HA GLU 95 0.628 -2.305 8.327 713 HB2 GLU 95 1HB GLU 95 -0.824 -2.030 10.342 714 HB3 GLU 95 2HB GLU 95 0.631 -1.898 11.320 715 HG2 GLU 95 1HG GLU 95 1.292 0.074 9.965 716 HG3 GLU 95 2HG GLU 95 -0.263 -0.025 9.143 717 H HIS 96 H HIS 96 2.313 -0.918 7.924 718 HA HIS 96 HA HIS 96 4.869 -1.609 9.213 719 HB2 HIS 96 1HB HIS 96 4.973 -2.177 6.894 720 HB3 HIS 96 2HB HIS 96 4.265 -0.636 6.420 721 HD1 HIS 96 1HD HIS 96 7.211 -1.217 8.743 722 HD2 HIS 96 2HD HIS 96 6.321 0.538 5.085 723 HE1 HIS 96 1HE HIS 96 9.321 -0.053 8.025 724 HE2 HIS 96 2HE HIS 96 8.733 1.073 5.850 725 H SER 97 H SER 97 5.459 -0.133 10.653 726 HA SER 97 HA SER 97 5.177 2.705 9.944 727 HB2 SER 97 1HB SER 97 3.414 1.969 11.596 728 HB3 SER 97 2HB SER 97 4.718 1.632 12.734 729 HG SER 97 HG SER 97 4.651 3.666 13.207 730 H GLY 98 H GLY 98 7.440 2.314 9.293 731 HA2 GLY 98 1HA GLY 98 9.218 2.677 11.612 732 HA3 GLY 98 2HA GLY 98 9.640 1.522 10.357 733 H GLY 99 H GLY 99 11.424 2.430 9.482 734 HA2 GLY 99 1HA GLY 99 12.035 5.097 9.183 735 HA3 GLY 99 2HA GLY 99 12.623 3.834 8.112 736 H ARG 100 H ARG 100 9.872 3.162 7.245 737 HA ARG 100 HA ARG 100 8.456 3.682 5.543 738 HB2 ARG 100 1HB ARG 100 8.935 6.430 6.684 739 HB3 ARG 100 2HB ARG 100 7.843 6.152 5.333 740 HG2 ARG 100 1HG ARG 100 7.524 4.617 7.877 741 HG3 ARG 100 2HG ARG 100 6.892 6.257 7.728 742 HD2 ARG 100 1HD ARG 100 5.410 5.651 6.021 743 HD3 ARG 100 2HD ARG 100 6.273 4.151 5.684 744 HE ARG 100 HE ARG 100 5.036 3.128 7.306 745 HH11 ARG 100 2HH1 ARG 100 4.852 6.575 7.760 746 HH12 ARG 100 1HH1 ARG 100 3.667 6.478 9.019 747 HH21 ARG 100 2HH2 ARG 100 3.473 2.987 8.963 748 HH22 ARG 100 1HH2 ARG 100 2.884 4.437 9.703 749 H ASP 101 H ASP 101 11.341 3.514 5.072 750 HA ASP 101 HA ASP 101 11.766 5.413 2.892 751 HB2 ASP 101 1HB ASP 101 13.659 3.316 3.973 752 HB3 ASP 101 2HB ASP 101 14.060 4.632 2.873 753 H LEU 102 H LEU 102 12.745 4.521 0.855 754 HA LEU 102 HA LEU 102 10.991 2.858 -0.468 755 HB2 LEU 102 1HB LEU 102 12.393 4.166 -1.795 756 HB3 LEU 102 2HB LEU 102 13.848 3.599 -0.979 757 HG LEU 102 HG LEU 102 13.531 1.388 -2.066 758 HD11 LEU 102 1HD1 LEU 102 11.287 1.184 -2.578 759 HD12 LEU 102 2HD1 LEU 102 11.997 1.545 -4.151 760 HD13 LEU 102 3HD1 LEU 102 11.182 2.816 -3.240 761 HD21 LEU 102 1HD2 LEU 102 13.619 3.584 -4.116 762 HD22 LEU 102 2HD2 LEU 102 14.460 2.033 -4.131 763 HD23 LEU 102 3HD2 LEU 102 14.941 3.287 -2.988 764 H ASP 103 H ASP 103 14.321 1.893 0.377 765 HA ASP 103 HA ASP 103 13.964 -0.835 -0.066 766 HB2 ASP 103 1HB ASP 103 16.142 0.493 0.300 767 HB3 ASP 103 2HB ASP 103 15.851 0.241 2.019 768 H SER 104 H SER 104 13.618 1.051 2.914 769 HA SER 104 HA SER 104 13.204 -0.997 4.725 770 HB2 SER 104 1HB SER 104 12.283 1.844 4.570 771 HB3 SER 104 2HB SER 104 11.604 0.800 5.820 772 HG SER 104 HG SER 104 14.277 1.604 5.433 773 H LEU 105 H LEU 105 11.158 0.104 2.181 774 HA LEU 105 HA LEU 105 8.772 -1.138 3.264 775 HB2 LEU 105 1HB LEU 105 9.354 0.235 0.649 776 HB3 LEU 105 2HB LEU 105 7.792 -0.475 1.050 777 HG LEU 105 HG LEU 105 8.949 1.573 2.882 778 HD11 LEU 105 1HD1 LEU 105 8.516 3.368 1.563 779 HD12 LEU 105 2HD1 LEU 105 7.262 2.536 0.646 780 HD13 LEU 105 3HD1 LEU 105 8.963 2.220 0.301 781 HD21 LEU 105 1HD2 LEU 105 6.711 0.145 3.026 782 HD22 LEU 105 2HD2 LEU 105 6.112 1.469 2.026 783 HD23 LEU 105 3HD2 LEU 105 6.809 1.806 3.612 784 H HIS 106 H HIS 106 11.030 -1.668 0.580 785 HA HIS 106 HA HIS 106 9.812 -3.876 -0.584 786 HB2 HIS 106 1HB HIS 106 11.816 -2.581 -1.442 787 HB3 HIS 106 2HB HIS 106 12.800 -3.524 -0.327 788 HD1 HIS 106 1HD HIS 106 14.019 -5.190 -1.681 789 HD2 HIS 106 2HD HIS 106 10.072 -4.788 -2.915 790 HE1 HIS 106 1HE HIS 106 13.704 -6.904 -3.495 791 HE2 HIS 106 2HE HIS 106 11.333 -6.582 -4.286 792 H ARG 107 H ARG 107 12.250 -3.793 2.004 793 HA ARG 107 HA ARG 107 12.476 -6.558 2.368 794 HB2 ARG 107 1HB ARG 107 13.529 -6.063 4.458 795 HB3 ARG 107 2HB ARG 107 13.997 -4.806 3.320 796 HG2 ARG 107 1HG ARG 107 12.131 -3.409 4.306 797 HG3 ARG 107 2HG ARG 107 12.036 -4.623 5.584 798 HD2 ARG 107 1HD ARG 107 14.597 -3.226 4.853 799 HD3 ARG 107 2HD ARG 107 13.475 -2.585 6.051 800 HE ARG 107 HE ARG 107 14.175 -5.297 6.587 801 HH11 ARG 107 2HH1 ARG 107 15.277 -2.008 6.879 802 HH12 ARG 107 1HH1 ARG 107 16.293 -2.332 8.245 803 HH21 ARG 107 2HH2 ARG 107 15.508 -5.736 8.385 804 HH22 ARG 107 1HH2 ARG 107 16.424 -4.454 9.100 805 H PHE 108 H PHE 108 10.417 -4.200 4.059 806 HA PHE 108 HA PHE 108 9.190 -5.817 5.894 807 HB2 PHE 108 1HB PHE 108 8.703 -3.486 5.917 808 HB3 PHE 108 2HB PHE 108 8.066 -3.533 4.276 809 HD1 PHE 108 1HD PHE 108 7.395 -4.339 7.786 810 HD2 PHE 108 2HD PHE 108 5.830 -4.273 3.828 811 HE1 PHE 108 1HE PHE 108 5.127 -4.676 8.681 812 HE2 PHE 108 2HE PHE 108 3.561 -4.609 4.717 813 HZ PHE 108 HZ PHE 108 3.207 -4.809 7.145 814 H VAL 109 H VAL 109 7.822 -5.096 2.677 815 HA VAL 109 HA VAL 109 5.747 -6.920 2.722 816 HB VAL 109 HB VAL 109 7.380 -5.933 0.386 817 HG11 VAL 109 1HG1 VAL 109 5.623 -6.764 -1.073 818 HG12 VAL 109 2HG1 VAL 109 6.347 -8.093 -0.165 819 HG13 VAL 109 3HG1 VAL 109 4.774 -7.451 0.310 820 HG21 VAL 109 1HG2 VAL 109 6.252 -4.076 1.018 821 HG22 VAL 109 2HG2 VAL 109 4.947 -4.833 0.106 822 HG23 VAL 109 3HG2 VAL 109 5.000 -4.988 1.861 823 H LEU 110 H LEU 110 9.123 -7.420 1.828 824 HA LEU 110 HA LEU 110 8.839 -10.043 0.828 825 HB2 LEU 110 1HB LEU 110 11.199 -8.621 2.044 826 HB3 LEU 110 2HB LEU 110 11.293 -10.213 1.294 827 HG LEU 110 HG LEU 110 10.279 -7.847 -0.245 828 HD11 LEU 110 1HD1 LEU 110 12.280 -6.888 0.180 829 HD12 LEU 110 2HD1 LEU 110 12.815 -7.994 -1.084 830 HD13 LEU 110 3HD1 LEU 110 13.049 -8.415 0.613 831 HD21 LEU 110 1HD2 LEU 110 11.907 -9.787 -1.626 832 HD22 LEU 110 2HD2 LEU 110 10.250 -9.274 -1.949 833 HD23 LEU 110 3HD2 LEU 110 10.564 -10.566 -0.789 834 H SER 111 H SER 111 9.025 -8.758 4.042 835 HA SER 111 HA SER 111 9.565 -11.352 5.235 836 HB2 SER 111 1HB SER 111 10.341 -8.958 6.056 837 HB3 SER 111 2HB SER 111 8.773 -8.973 6.864 838 HG SER 111 HG SER 111 10.761 -9.900 7.963 839 H GLN 112 H GLN 112 6.895 -9.108 4.815 840 HA GLN 112 HA GLN 112 5.070 -10.400 6.547 841 HB2 GLN 112 1HB GLN 112 4.557 -8.650 4.137 842 HB3 GLN 112 2HB GLN 112 3.338 -9.126 5.311 843 HG2 GLN 112 1HG GLN 112 5.592 -7.206 5.587 844 HG3 GLN 112 2HG GLN 112 3.902 -7.041 6.064 845 HE21 GLN 112 1HE2 GLN 112 3.333 -8.952 7.700 846 HE22 GLN 112 2HE2 GLN 112 4.395 -9.023 9.061 847 H ALA 113 H ALA 113 5.355 -10.489 2.993 848 HA ALA 113 HA ALA 113 3.500 -12.685 2.799 849 HB1 ALA 113 1HB ALA 113 5.251 -11.431 0.688 850 HB2 ALA 113 2HB ALA 113 3.939 -12.575 0.401 851 HB3 ALA 113 3HB ALA 113 3.588 -10.976 1.058 852 H LYS 114 H LYS 114 5.388 -13.572 4.466 853 HA LYS 114 HA LYS 114 6.603 -15.727 2.945 854 HB2 LYS 114 1HB LYS 114 8.241 -13.717 3.223 855 HB3 LYS 114 2HB LYS 114 8.364 -14.267 4.889 856 HG2 LYS 114 1HG LYS 114 10.140 -15.333 3.884 857 HG3 LYS 114 2HG LYS 114 8.884 -16.573 3.830 858 HD2 LYS 114 1HD LYS 114 8.402 -16.050 1.527 859 HD3 LYS 114 2HD LYS 114 9.519 -14.683 1.564 860 HE2 LYS 114 1HE LYS 114 10.564 -16.563 0.461 861 HE3 LYS 114 2HE LYS 114 11.374 -16.249 1.996 862 HZ1 LYS 114 1HZ LYS 114 9.825 -18.027 2.918 863 HZ2 LYS 114 2HZ LYS 114 11.103 -18.544 1.937 864 HZ3 LYS 114 3HZ LYS 114 9.535 -18.455 1.307 865 H ASP 115 H ASP 115 5.929 -17.495 3.946 866 HA ASP 115 HA ASP 115 5.772 -17.473 6.890 867 HB2 ASP 115 1HB ASP 115 4.073 -18.938 4.867 868 HB3 ASP 115 2HB ASP 115 4.052 -19.300 6.590 869 H GLU 116 H GLU 116 6.476 -19.300 8.019 870 HA GLU 116 HA GLU 116 8.484 -20.859 6.593 871 HB2 GLU 116 1HB GLU 116 7.883 -20.410 9.508 872 HB3 GLU 116 2HB GLU 116 8.998 -21.662 8.982 873 HG2 GLU 116 1HG GLU 116 9.260 -18.716 8.430 874 HG3 GLU 116 2HG GLU 116 10.177 -19.639 9.620 875 H LEU 117 H LEU 117 8.714 -23.207 7.425 876 HA LEU 117 HA LEU 117 6.069 -24.468 7.196 877 HB2 LEU 117 1HB LEU 117 8.826 -25.440 6.483 878 HB3 LEU 117 2HB LEU 117 7.412 -26.492 6.511 879 HG LEU 117 HG LEU 117 7.519 -24.030 4.791 880 HD11 LEU 117 1HD1 LEU 117 8.738 -26.713 4.332 881 HD12 LEU 117 2HD1 LEU 117 9.341 -25.112 3.903 882 HD13 LEU 117 3HD1 LEU 117 8.027 -25.836 2.976 883 HD21 LEU 117 1HD2 LEU 117 6.075 -26.430 3.936 884 HD22 LEU 117 2HD2 LEU 117 5.566 -24.740 3.953 885 HD23 LEU 117 3HD2 LEU 117 5.465 -25.707 5.425 Start of MODEL 18 1 H1 GLY 1 H GLY 1 3.179 -12.847 -13.851 2 HA2 GLY 1 1HA GLY 1 2.290 -12.251 -11.768 3 HA3 GLY 1 2HA GLY 1 3.883 -11.700 -11.271 4 H SER 2 H SER 2 2.066 -10.772 -14.163 5 HA SER 2 HA SER 2 2.261 -7.980 -13.283 6 HB2 SER 2 1HB SER 2 1.701 -7.488 -15.704 7 HB3 SER 2 2HB SER 2 3.240 -8.309 -15.439 8 HG SER 2 HG SER 2 1.034 -9.150 -16.793 9 H SER 3 H SER 3 0.477 -8.165 -11.814 10 HA SER 3 HA SER 3 -2.149 -8.704 -12.937 11 HB2 SER 3 1HB SER 3 -1.380 -7.887 -10.124 12 HB3 SER 3 2HB SER 3 -2.963 -8.467 -10.644 13 HG SER 3 HG SER 3 -0.784 -9.882 -9.940 14 H GLY 4 H GLY 4 -0.453 -6.001 -11.362 15 HA2 GLY 4 1HA GLY 4 -2.591 -4.151 -11.738 16 HA3 GLY 4 2HA GLY 4 -0.939 -3.750 -11.290 17 H SER 5 H SER 5 -2.281 -2.080 -12.956 18 HA SER 5 HA SER 5 -1.222 -2.690 -15.634 19 HB2 SER 5 1HB SER 5 -3.466 -0.873 -14.744 20 HB3 SER 5 2HB SER 5 -2.806 -0.852 -16.379 21 HG SER 5 HG SER 5 -3.264 -3.343 -15.954 22 H SER 6 H SER 6 -1.604 -0.037 -13.299 23 HA SER 6 HA SER 6 -0.085 1.885 -14.611 24 HB2 SER 6 1HB SER 6 -0.511 1.408 -11.656 25 HB3 SER 6 2HB SER 6 0.300 2.834 -12.300 26 HG SER 6 HG SER 6 -1.581 3.432 -13.317 27 H GLY 7 H GLY 7 2.072 2.735 -13.832 28 HA2 GLY 7 1HA GLY 7 3.913 0.468 -13.372 29 HA3 GLY 7 2HA GLY 7 4.282 1.792 -14.467 30 H THR 8 H THR 8 2.831 3.474 -12.245 31 HA THR 8 HA THR 8 5.231 3.751 -10.554 32 HB THR 8 HB THR 8 4.465 6.166 -10.279 33 HG1 THR 8 1HG THR 8 3.206 6.859 -12.192 34 HG21 THR 8 1HG2 THR 8 5.101 5.971 -13.126 35 HG22 THR 8 2HG2 THR 8 6.145 4.985 -12.102 36 HG23 THR 8 3HG2 THR 8 6.009 6.718 -11.812 37 H VAL 9 H VAL 9 1.709 4.241 -10.634 38 HA VAL 9 HA VAL 9 1.441 3.151 -7.983 39 HB VAL 9 HB VAL 9 0.863 6.075 -8.461 40 HG11 VAL 9 1HG1 VAL 9 -0.158 6.135 -6.269 41 HG12 VAL 9 2HG1 VAL 9 -1.007 4.971 -7.288 42 HG13 VAL 9 3HG1 VAL 9 0.126 4.408 -6.058 43 HG21 VAL 9 1HG2 VAL 9 2.273 6.274 -6.366 44 HG22 VAL 9 2HG2 VAL 9 2.709 4.583 -6.611 45 HG23 VAL 9 3HG2 VAL 9 3.124 5.786 -7.831 46 H LEU 10 H LEU 10 -0.460 2.139 -7.811 47 HA LEU 10 HA LEU 10 -2.360 2.367 -9.983 48 HB2 LEU 10 1HB LEU 10 -1.876 0.480 -7.748 49 HB3 LEU 10 2HB LEU 10 -3.517 0.582 -8.383 50 HG LEU 10 HG LEU 10 -2.209 0.247 -10.686 51 HD11 LEU 10 1HD1 LEU 10 -0.073 0.109 -9.147 52 HD12 LEU 10 2HD1 LEU 10 -0.246 -0.911 -10.574 53 HD13 LEU 10 3HD1 LEU 10 -0.594 -1.567 -8.973 54 HD21 LEU 10 1HD2 LEU 10 -2.501 -2.305 -9.301 55 HD22 LEU 10 2HD2 LEU 10 -3.335 -1.684 -10.726 56 HD23 LEU 10 3HD2 LEU 10 -3.892 -1.236 -9.113 57 H ALA 11 H ALA 11 -4.213 3.466 -9.934 58 HA ALA 11 HA ALA 11 -4.973 4.793 -7.441 59 HB1 ALA 11 1HB ALA 11 -4.962 5.566 -10.173 60 HB2 ALA 11 2HB ALA 11 -6.626 5.614 -9.592 61 HB3 ALA 11 3HB ALA 11 -5.375 6.532 -8.755 62 H LEU 12 H LEU 12 -6.322 3.641 -6.213 63 HA LEU 12 HA LEU 12 -8.423 2.050 -7.506 64 HB2 LEU 12 1HB LEU 12 -7.589 1.999 -4.615 65 HB3 LEU 12 2HB LEU 12 -8.613 0.837 -5.456 66 HG LEU 12 HG LEU 12 -5.661 1.250 -5.926 67 HD11 LEU 12 1HD1 LEU 12 -5.927 -1.291 -5.084 68 HD12 LEU 12 2HD1 LEU 12 -7.215 -0.521 -4.159 69 HD13 LEU 12 3HD1 LEU 12 -5.558 0.063 -4.015 70 HD21 LEU 12 1HD2 LEU 12 -5.847 0.036 -7.777 71 HD22 LEU 12 2HD2 LEU 12 -7.597 0.219 -7.649 72 HD23 LEU 12 3HD2 LEU 12 -6.802 -1.191 -6.946 73 H THR 13 H THR 13 -10.585 2.126 -6.687 74 HA THR 13 HA THR 13 -11.245 4.640 -5.297 75 HB THR 13 HB THR 13 -13.298 4.798 -6.639 76 HG1 THR 13 1HG THR 13 -12.321 2.885 -8.447 77 HG21 THR 13 1HG2 THR 13 -10.928 5.693 -7.358 78 HG22 THR 13 2HG2 THR 13 -12.308 5.813 -8.451 79 HG23 THR 13 3HG2 THR 13 -11.124 4.524 -8.663 80 H GLU 14 H GLU 14 -13.845 4.411 -4.829 81 HA GLU 14 HA GLU 14 -13.962 2.270 -2.887 82 HB2 GLU 14 1HB GLU 14 -14.811 4.762 -2.698 83 HB3 GLU 14 2HB GLU 14 -16.268 4.094 -3.421 84 HG2 GLU 14 1HG GLU 14 -15.078 2.748 -1.047 85 HG3 GLU 14 2HG GLU 14 -16.000 4.234 -0.828 86 H ASN 15 H ASN 15 -13.996 1.515 -5.684 87 HA ASN 15 HA ASN 15 -16.564 0.088 -5.708 88 HB2 ASN 15 1HB ASN 15 -16.931 1.727 -7.362 89 HB3 ASN 15 2HB ASN 15 -15.282 1.607 -7.969 90 HD21 ASN 15 1HD2 ASN 15 -15.288 0.800 -9.930 91 HD22 ASN 15 2HD2 ASN 15 -16.257 -0.517 -10.489 92 H ASN 16 H ASN 16 -13.210 0.228 -6.786 93 HA ASN 16 HA ASN 16 -13.285 -2.678 -7.249 94 HB2 ASN 16 1HB ASN 16 -11.479 -2.441 -8.771 95 HB3 ASN 16 2HB ASN 16 -12.598 -1.138 -9.156 96 HD21 ASN 16 1HD2 ASN 16 -11.558 0.636 -9.662 97 HD22 ASN 16 2HD2 ASN 16 -10.121 1.230 -8.908 98 H PHE 17 H PHE 17 -11.914 -0.147 -5.354 99 HA PHE 17 HA PHE 17 -9.538 -1.012 -4.433 100 HB2 PHE 17 1HB PHE 17 -10.397 0.960 -3.467 101 HB3 PHE 17 2HB PHE 17 -11.859 0.154 -2.912 102 HD1 PHE 17 1HD PHE 17 -11.466 -1.781 -1.180 103 HD2 PHE 17 2HD PHE 17 -8.719 1.377 -1.955 104 HE1 PHE 17 1HE PHE 17 -10.429 -2.146 1.021 105 HE2 PHE 17 2HE PHE 17 -7.678 1.016 0.245 106 HZ PHE 17 HZ PHE 17 -8.532 -0.748 1.736 107 H ASP 18 H ASP 18 -12.580 -2.597 -3.977 108 HA ASP 18 HA ASP 18 -11.579 -4.371 -1.913 109 HB2 ASP 18 1HB ASP 18 -14.030 -3.473 -2.271 110 HB3 ASP 18 2HB ASP 18 -14.151 -4.850 -3.362 111 H ASP 19 H ASP 19 -12.715 -4.677 -5.272 112 HA ASP 19 HA ASP 19 -12.152 -7.407 -5.569 113 HB2 ASP 19 1HB ASP 19 -13.543 -5.999 -7.119 114 HB3 ASP 19 2HB ASP 19 -12.045 -5.321 -7.754 115 H THR 20 H THR 20 -10.203 -4.565 -6.460 116 HA THR 20 HA THR 20 -8.022 -5.764 -7.591 117 HB THR 20 HB THR 20 -7.997 -3.413 -5.689 118 HG1 THR 20 1HG THR 20 -9.251 -3.446 -7.811 119 HG21 THR 20 1HG2 THR 20 -5.808 -4.811 -6.616 120 HG22 THR 20 2HG2 THR 20 -5.804 -3.137 -6.062 121 HG23 THR 20 3HG2 THR 20 -5.967 -3.496 -7.780 122 H ILE 21 H ILE 21 -8.271 -4.958 -4.121 123 HA ILE 21 HA ILE 21 -5.951 -6.276 -3.311 124 HB ILE 21 HB ILE 21 -6.963 -6.322 -1.043 125 HG12 ILE 21 1HG1 ILE 21 -9.371 -5.094 -2.401 126 HG13 ILE 21 2HG1 ILE 21 -9.297 -6.753 -1.815 127 HG21 ILE 21 1HG2 ILE 21 -7.485 -3.743 -1.078 128 HG22 ILE 21 2HG2 ILE 21 -5.855 -4.347 -1.372 129 HG23 ILE 21 3HG2 ILE 21 -6.877 -3.872 -2.728 130 HD11 ILE 21 1HD1 ILE 21 -9.417 -4.206 -0.277 131 HD12 ILE 21 2HD1 ILE 21 -10.371 -5.679 -0.096 132 HD13 ILE 21 3HD1 ILE 21 -8.695 -5.640 0.451 133 H ALA 22 H ALA 22 -9.259 -7.465 -3.649 134 HA ALA 22 HA ALA 22 -9.051 -9.930 -2.421 135 HB1 ALA 22 1HB ALA 22 -10.795 -8.707 -4.397 136 HB2 ALA 22 2HB ALA 22 -10.630 -10.450 -4.623 137 HB3 ALA 22 3HB ALA 22 -11.179 -9.809 -3.074 138 H GLU 23 H GLU 23 -7.607 -8.842 -5.365 139 HA GLU 23 HA GLU 23 -6.865 -11.583 -6.102 140 HB2 GLU 23 1HB GLU 23 -6.750 -8.983 -7.629 141 HB3 GLU 23 2HB GLU 23 -6.035 -10.476 -8.219 142 HG2 GLU 23 1HG GLU 23 -8.322 -11.515 -7.997 143 HG3 GLU 23 2HG GLU 23 -8.937 -9.885 -7.730 144 H GLY 24 H GLY 24 -4.907 -12.330 -5.635 145 HA2 GLY 24 1HA GLY 24 -2.770 -12.368 -4.767 146 HA3 GLY 24 2HA GLY 24 -2.475 -11.150 -6.000 147 H ILE 25 H ILE 25 -0.847 -10.495 -4.337 148 HA ILE 25 HA ILE 25 -1.869 -9.175 -1.977 149 HB ILE 25 HB ILE 25 0.930 -9.250 -3.110 150 HG12 ILE 25 1HG1 ILE 25 -0.181 -10.733 -0.724 151 HG13 ILE 25 2HG1 ILE 25 -0.095 -11.435 -2.335 152 HG21 ILE 25 1HG2 ILE 25 1.589 -8.496 -0.833 153 HG22 ILE 25 2HG2 ILE 25 0.678 -7.295 -1.748 154 HG23 ILE 25 3HG2 ILE 25 -0.116 -8.225 -0.477 155 HD11 ILE 25 1HD1 ILE 25 1.816 -11.699 -0.462 156 HD12 ILE 25 2HD1 ILE 25 2.116 -11.789 -2.198 157 HD13 ILE 25 3HD1 ILE 25 2.413 -10.284 -1.329 158 H THR 26 H THR 26 -2.312 -7.072 -1.749 159 HA THR 26 HA THR 26 -1.397 -5.200 -3.824 160 HB THR 26 HB THR 26 -4.195 -5.231 -2.679 161 HG1 THR 26 1HG THR 26 -3.807 -6.926 -4.206 162 HG21 THR 26 1HG2 THR 26 -4.093 -3.060 -3.270 163 HG22 THR 26 2HG2 THR 26 -4.245 -3.673 -4.916 164 HG23 THR 26 3HG2 THR 26 -2.652 -3.298 -4.258 165 H PHE 27 H PHE 27 -0.132 -3.781 -2.825 166 HA PHE 27 HA PHE 27 -0.607 -3.100 -0.034 167 HB2 PHE 27 1HB PHE 27 1.695 -3.640 -1.050 168 HB3 PHE 27 2HB PHE 27 1.620 -2.027 -1.752 169 HD1 PHE 27 1HD PHE 27 0.527 -3.236 1.591 170 HD2 PHE 27 2HD PHE 27 3.201 -0.775 -0.623 171 HE1 PHE 27 1HE PHE 27 1.388 -2.288 3.692 172 HE2 PHE 27 2HE PHE 27 4.067 0.177 1.474 173 HZ PHE 27 HZ PHE 27 3.161 -0.579 3.635 174 H ILE 28 H ILE 28 -2.017 -1.530 0.362 175 HA ILE 28 HA ILE 28 -2.231 0.710 -1.524 176 HB ILE 28 HB ILE 28 -4.114 -0.014 0.721 177 HG12 ILE 28 1HG1 ILE 28 -4.760 -0.404 -2.174 178 HG13 ILE 28 2HG1 ILE 28 -3.794 -1.619 -1.346 179 HG21 ILE 28 1HG2 ILE 28 -5.658 1.446 -0.722 180 HG22 ILE 28 2HG2 ILE 28 -4.436 2.247 0.264 181 HG23 ILE 28 3HG2 ILE 28 -4.171 2.033 -1.465 182 HD11 ILE 28 1HD1 ILE 28 -6.440 -0.685 -0.291 183 HD12 ILE 28 2HD1 ILE 28 -6.288 -2.010 -1.446 184 HD13 ILE 28 3HD1 ILE 28 -5.532 -2.132 0.143 185 H LYS 29 H LYS 29 -2.416 2.877 -0.691 186 HA LYS 29 HA LYS 29 -1.148 3.253 1.940 187 HB2 LYS 29 1HB LYS 29 0.634 3.916 0.684 188 HB3 LYS 29 2HB LYS 29 -0.359 4.300 -0.715 189 HG2 LYS 29 1HG LYS 29 -0.759 6.440 -0.019 190 HG3 LYS 29 2HG LYS 29 -0.562 6.039 1.688 191 HD2 LYS 29 1HD LYS 29 1.395 7.156 1.363 192 HD3 LYS 29 2HD LYS 29 1.923 5.543 0.879 193 HE2 LYS 29 1HE LYS 29 1.969 6.079 -1.349 194 HE3 LYS 29 2HE LYS 29 0.735 7.328 -1.185 195 HZ1 LYS 29 1HZ LYS 29 2.720 8.353 0.280 196 HZ2 LYS 29 2HZ LYS 29 2.484 8.697 -1.358 197 HZ3 LYS 29 3HZ LYS 29 3.609 7.520 -0.896 198 H PHE 30 H PHE 30 -2.091 4.702 3.256 199 HA PHE 30 HA PHE 30 -4.309 6.290 2.145 200 HB2 PHE 30 1HB PHE 30 -4.040 5.473 5.034 201 HB3 PHE 30 2HB PHE 30 -5.473 6.063 4.199 202 HD1 PHE 30 1HD PHE 30 -3.119 3.205 4.375 203 HD2 PHE 30 2HD PHE 30 -6.979 4.575 3.220 204 HE1 PHE 30 1HE PHE 30 -3.805 0.885 3.930 205 HE2 PHE 30 2HE PHE 30 -7.672 2.257 2.774 206 HZ PHE 30 HZ PHE 30 -6.085 0.409 3.130 207 H TYR 31 H TYR 31 -3.271 8.191 1.706 208 HA TYR 31 HA TYR 31 -1.966 9.535 3.981 209 HB2 TYR 31 1HB TYR 31 -0.474 10.588 2.532 210 HB3 TYR 31 2HB TYR 31 -0.623 8.982 1.829 211 HD1 TYR 31 2HD TYR 31 -1.468 12.529 1.431 212 HD2 TYR 31 1HD TYR 31 -1.729 8.649 -0.297 213 HE1 TYR 31 2HE TYR 31 -2.130 13.534 -0.713 214 HE2 TYR 31 1HE TYR 31 -2.389 9.645 -2.447 215 HH TYR 31 HH TYR 31 -2.027 11.975 -3.584 216 H ALA 32 H ALA 32 -1.925 12.088 3.265 217 HA ALA 32 HA ALA 32 -4.679 12.834 2.561 218 HB1 ALA 32 1HB ALA 32 -5.133 13.699 4.557 219 HB2 ALA 32 2HB ALA 32 -3.664 12.926 5.154 220 HB3 ALA 32 3HB ALA 32 -3.612 14.593 4.582 221 HA PRO 33 HA PRO 33 -2.566 15.657 -0.109 222 HB2 PRO 33 1HB PRO 33 -4.718 17.161 -0.802 223 HB3 PRO 33 2HB PRO 33 -4.434 15.538 -1.442 224 HG2 PRO 33 1HG PRO 33 -6.238 16.408 0.782 225 HG3 PRO 33 2HG PRO 33 -6.549 15.246 -0.521 226 HD2 PRO 33 1HD PRO 33 -5.884 14.477 1.988 227 HD3 PRO 33 2HD PRO 33 -5.413 13.550 0.549 228 H TRP 34 H TRP 34 -3.608 16.301 2.934 229 HA TRP 34 HA TRP 34 -2.887 19.152 2.740 230 HB2 TRP 34 1HB TRP 34 -4.180 19.352 4.937 231 HB3 TRP 34 2HB TRP 34 -5.130 19.095 3.476 232 HD1 TRP 34 HD TRP 34 -6.520 16.864 3.295 233 HE1 TRP 34 1HE TRP 34 -7.074 14.993 4.973 234 HE3 TRP 34 3HE TRP 34 -3.151 18.034 6.958 235 HZ2 TRP 34 2HZ TRP 34 -6.201 14.128 7.514 236 HZ3 TRP 34 3HZ TRP 34 -3.075 16.635 8.981 237 HH2 TRP 34 HH TRP 34 -4.568 14.723 9.251 238 H CYS 35 H CYS 35 -1.335 16.542 3.245 239 HA CYS 35 HA CYS 35 -0.085 17.356 5.785 240 HB2 CYS 35 1HB CYS 35 -1.023 15.086 5.833 241 HB3 CYS 35 2HB CYS 35 -0.052 14.649 4.432 242 HG CYS 35 HG CYS 35 0.774 14.699 7.645 243 H GLY 36 H GLY 36 2.219 17.289 5.933 244 HA2 GLY 36 1HA GLY 36 3.488 18.018 3.405 245 HA3 GLY 36 2HA GLY 36 4.146 18.279 5.014 246 H HIS 37 H HIS 37 4.377 15.980 6.197 247 HA HIS 37 HA HIS 37 6.589 14.740 5.240 248 HB2 HIS 37 1HB HIS 37 5.433 14.371 7.475 249 HB3 HIS 37 2HB HIS 37 4.411 13.197 6.650 250 HD1 HIS 37 1HD HIS 37 5.347 11.250 8.058 251 HD2 HIS 37 2HD HIS 37 8.219 13.258 5.825 252 HE1 HIS 37 1HE HIS 37 7.395 9.792 8.130 253 HE2 HIS 37 2HE HIS 37 9.145 11.068 6.845 254 H CYS 38 H CYS 38 3.243 13.932 4.439 255 HA CYS 38 HA CYS 38 3.602 11.590 3.032 256 HB2 CYS 38 1HB CYS 38 1.386 12.415 3.468 257 HB3 CYS 38 2HB CYS 38 1.683 13.867 2.520 258 HG CYS 38 HG CYS 38 0.674 12.919 0.369 259 H LYS 39 H LYS 39 4.087 14.910 1.944 260 HA LYS 39 HA LYS 39 4.437 14.487 -0.774 261 HB2 LYS 39 1HB LYS 39 5.660 16.481 1.121 262 HB3 LYS 39 2HB LYS 39 6.027 16.500 -0.599 263 HG2 LYS 39 1HG LYS 39 3.910 17.169 -1.185 264 HG3 LYS 39 2HG LYS 39 3.179 16.504 0.277 265 HD2 LYS 39 1HD LYS 39 4.605 18.311 1.491 266 HD3 LYS 39 2HD LYS 39 4.667 19.072 -0.101 267 HE2 LYS 39 1HE LYS 39 2.126 18.834 -0.122 268 HE3 LYS 39 2HE LYS 39 2.261 18.481 1.600 269 HZ1 LYS 39 1HZ LYS 39 2.840 20.604 2.087 270 HZ2 LYS 39 2HZ LYS 39 1.918 20.919 0.704 271 HZ3 LYS 39 3HZ LYS 39 3.606 20.875 0.603 272 H THR 40 H THR 40 6.712 14.048 1.879 273 HA THR 40 HA THR 40 8.997 13.579 0.263 274 HB THR 40 HB THR 40 8.539 12.548 3.065 275 HG1 THR 40 1HG THR 40 9.718 15.031 2.327 276 HG21 THR 40 1HG2 THR 40 11.112 13.371 1.728 277 HG22 THR 40 2HG2 THR 40 10.520 11.710 1.742 278 HG23 THR 40 3HG2 THR 40 10.911 12.520 3.259 279 H LEU 41 H LEU 41 6.327 11.614 1.240 280 HA LEU 41 HA LEU 41 7.691 9.137 0.533 281 HB2 LEU 41 1HB LEU 41 6.290 9.091 2.495 282 HB3 LEU 41 2HB LEU 41 4.915 9.690 1.568 283 HG LEU 41 HG LEU 41 5.145 7.516 0.214 284 HD11 LEU 41 1HD1 LEU 41 7.276 7.190 2.094 285 HD12 LEU 41 2HD1 LEU 41 6.807 6.152 0.747 286 HD13 LEU 41 3HD1 LEU 41 6.074 5.923 2.334 287 HD21 LEU 41 1HD2 LEU 41 3.530 6.542 1.524 288 HD22 LEU 41 2HD2 LEU 41 3.471 8.207 2.106 289 HD23 LEU 41 3HD2 LEU 41 4.335 6.979 3.032 290 H ALA 42 H ALA 42 5.698 11.502 -0.895 291 HA ALA 42 HA ALA 42 4.121 10.177 -2.698 292 HB1 ALA 42 1HB ALA 42 5.545 12.426 -3.908 293 HB2 ALA 42 2HB ALA 42 3.819 12.192 -3.627 294 HB3 ALA 42 3HB ALA 42 4.854 12.781 -2.325 295 HA PRO 43 HA PRO 43 7.844 9.845 -5.778 296 HB2 PRO 43 1HB PRO 43 10.324 10.248 -4.749 297 HB3 PRO 43 2HB PRO 43 9.345 11.551 -5.432 298 HG2 PRO 43 1HG PRO 43 9.750 10.789 -2.565 299 HG3 PRO 43 2HG PRO 43 9.723 12.402 -3.301 300 HD2 PRO 43 1HD PRO 43 7.598 11.368 -1.980 301 HD3 PRO 43 2HD PRO 43 7.419 12.476 -3.355 302 H THR 44 H THR 44 8.500 8.916 -2.427 303 HA THR 44 HA THR 44 10.065 6.649 -2.937 304 HB THR 44 HB THR 44 8.181 7.092 -0.613 305 HG1 THR 44 1HG THR 44 9.781 8.234 0.289 306 HG21 THR 44 1HG2 THR 44 10.695 5.457 -0.564 307 HG22 THR 44 2HG2 THR 44 9.167 4.746 -1.084 308 HG23 THR 44 3HG2 THR 44 9.322 5.418 0.540 309 H TRP 45 H TRP 45 6.558 6.944 -2.425 310 HA TRP 45 HA TRP 45 5.817 4.303 -2.532 311 HB2 TRP 45 1HB TRP 45 4.398 6.494 -2.279 312 HB3 TRP 45 2HB TRP 45 4.186 6.331 -4.021 313 HD1 TRP 45 HD TRP 45 2.015 5.133 -4.600 314 HE1 TRP 45 1HE TRP 45 0.567 3.292 -3.533 315 HE3 TRP 45 3HE TRP 45 4.838 4.190 -0.444 316 HZ2 TRP 45 2HZ TRP 45 0.615 1.657 -1.232 317 HZ3 TRP 45 3HZ TRP 45 4.066 2.472 1.139 318 HH2 TRP 45 HH TRP 45 1.998 1.234 0.753 319 H GLU 46 H GLU 46 6.275 6.503 -5.289 320 HA GLU 46 HA GLU 46 5.577 4.756 -7.331 321 HB2 GLU 46 1HB GLU 46 7.637 6.966 -7.314 322 HB3 GLU 46 2HB GLU 46 7.076 6.155 -8.769 323 HG2 GLU 46 1HG GLU 46 4.876 7.001 -8.495 324 HG3 GLU 46 2HG GLU 46 5.242 7.599 -6.877 325 H GLU 47 H GLU 47 8.849 5.424 -6.076 326 HA GLU 47 HA GLU 47 10.316 3.679 -7.585 327 HB2 GLU 47 1HB GLU 47 10.654 4.264 -4.638 328 HB3 GLU 47 2HB GLU 47 11.875 3.522 -5.663 329 HG2 GLU 47 1HG GLU 47 10.732 6.173 -6.408 330 HG3 GLU 47 2HG GLU 47 11.966 6.066 -5.153 331 H LEU 48 H LEU 48 8.270 2.935 -4.827 332 HA LEU 48 HA LEU 48 9.093 0.257 -4.474 333 HB2 LEU 48 1HB LEU 48 7.783 1.661 -2.854 334 HB3 LEU 48 2HB LEU 48 6.371 1.396 -3.875 335 HG LEU 48 HG LEU 48 6.580 -1.039 -3.452 336 HD11 LEU 48 1HD1 LEU 48 8.953 -1.143 -2.960 337 HD12 LEU 48 2HD1 LEU 48 8.017 -1.789 -1.612 338 HD13 LEU 48 3HD1 LEU 48 8.715 -0.173 -1.507 339 HD21 LEU 48 1HD2 LEU 48 6.373 -0.313 -0.721 340 HD22 LEU 48 2HD2 LEU 48 5.076 -0.630 -1.874 341 HD23 LEU 48 3HD2 LEU 48 5.705 1.006 -1.680 342 H SER 49 H SER 49 6.250 1.615 -6.140 343 HA SER 49 HA SER 49 5.053 -0.650 -7.064 344 HB2 SER 49 1HB SER 49 4.083 0.659 -8.811 345 HB3 SER 49 2HB SER 49 4.322 1.749 -7.445 346 HG SER 49 HG SER 49 5.518 2.910 -8.706 347 H LYS 50 H LYS 50 7.959 0.879 -8.321 348 HA LYS 50 HA LYS 50 8.185 -0.687 -10.670 349 HB2 LYS 50 1HB LYS 50 10.307 0.758 -9.071 350 HB3 LYS 50 2HB LYS 50 10.549 0.080 -10.676 351 HG2 LYS 50 1HG LYS 50 9.099 1.642 -11.668 352 HG3 LYS 50 2HG LYS 50 8.440 2.140 -10.108 353 HD2 LYS 50 1HD LYS 50 10.700 3.009 -9.511 354 HD3 LYS 50 2HD LYS 50 11.223 2.646 -11.158 355 HE2 LYS 50 1HE LYS 50 9.456 4.142 -12.011 356 HE3 LYS 50 2HE LYS 50 9.018 4.541 -10.352 357 HZ1 LYS 50 1HZ LYS 50 11.316 5.364 -10.048 358 HZ2 LYS 50 2HZ LYS 50 10.438 6.241 -11.198 359 HZ3 LYS 50 3HZ LYS 50 11.599 5.117 -11.698 360 H LYS 51 H LYS 51 9.675 -0.979 -7.455 361 HA LYS 51 HA LYS 51 11.376 -3.036 -7.691 362 HB2 LYS 51 1HB LYS 51 9.257 -2.763 -5.552 363 HB3 LYS 51 2HB LYS 51 10.670 -3.805 -5.432 364 HG2 LYS 51 1HG LYS 51 10.902 -0.847 -5.881 365 HG3 LYS 51 2HG LYS 51 10.786 -1.555 -4.267 366 HD2 LYS 51 1HD LYS 51 12.807 -2.638 -6.173 367 HD3 LYS 51 2HD LYS 51 13.125 -1.092 -5.383 368 HE2 LYS 51 1HE LYS 51 12.548 -2.307 -3.203 369 HE3 LYS 51 2HE LYS 51 12.720 -3.794 -4.135 370 HZ1 LYS 51 1HZ LYS 51 14.813 -3.471 -3.241 371 HZ2 LYS 51 2HZ LYS 51 14.777 -1.794 -3.458 372 HZ3 LYS 51 3HZ LYS 51 14.982 -2.814 -4.791 373 H GLU 52 H GLU 52 11.250 -5.351 -7.454 374 HA GLU 52 HA GLU 52 8.697 -6.512 -8.344 375 HB2 GLU 52 1HB GLU 52 11.339 -7.568 -9.312 376 HB3 GLU 52 2HB GLU 52 9.734 -7.848 -9.973 377 HG2 GLU 52 1HG GLU 52 9.761 -5.302 -10.450 378 HG3 GLU 52 2HG GLU 52 11.505 -5.465 -10.262 379 H PHE 53 H PHE 53 8.547 -6.894 -5.987 380 HA PHE 53 HA PHE 53 10.116 -8.262 -4.313 381 HB2 PHE 53 1HB PHE 53 7.229 -9.056 -4.716 382 HB3 PHE 53 2HB PHE 53 8.166 -9.161 -3.231 383 HD1 PHE 53 1HD PHE 53 6.458 -6.891 -5.553 384 HD2 PHE 53 2HD PHE 53 8.506 -7.248 -1.840 385 HE1 PHE 53 1HE PHE 53 5.680 -4.647 -4.911 386 HE2 PHE 53 2HE PHE 53 7.730 -5.006 -1.191 387 HZ PHE 53 HZ PHE 53 6.314 -3.701 -2.728 388 HA PRO 54 HA PRO 54 11.006 -11.876 -6.907 389 HB2 PRO 54 1HB PRO 54 13.290 -12.518 -5.586 390 HB3 PRO 54 2HB PRO 54 13.223 -11.275 -6.841 391 HG2 PRO 54 1HG PRO 54 13.186 -10.965 -3.864 392 HG3 PRO 54 2HG PRO 54 14.075 -10.024 -5.075 393 HD2 PRO 54 1HD PRO 54 11.775 -9.145 -3.949 394 HD3 PRO 54 2HD PRO 54 12.235 -8.745 -5.617 395 H GLY 55 H GLY 55 9.788 -13.607 -6.469 396 HA2 GLY 55 1HA GLY 55 9.605 -15.718 -5.345 397 HA3 GLY 55 2HA GLY 55 10.163 -14.939 -3.872 398 H LEU 56 H LEU 56 8.419 -12.656 -4.071 399 HA LEU 56 HA LEU 56 6.083 -13.816 -2.878 400 HB2 LEU 56 1HB LEU 56 6.691 -10.942 -3.557 401 HB3 LEU 56 2HB LEU 56 5.372 -11.503 -2.531 402 HG LEU 56 HG LEU 56 8.325 -11.639 -1.938 403 HD11 LEU 56 1HD1 LEU 56 6.450 -9.616 -1.544 404 HD12 LEU 56 2HD1 LEU 56 8.047 -9.751 -0.808 405 HD13 LEU 56 3HD1 LEU 56 6.634 -10.391 0.029 406 HD21 LEU 56 1HD2 LEU 56 5.964 -12.829 -0.506 407 HD22 LEU 56 2HD2 LEU 56 7.502 -12.505 0.295 408 HD23 LEU 56 3HD2 LEU 56 7.432 -13.637 -1.056 409 H ALA 57 H ALA 57 3.915 -13.526 -3.562 410 HA ALA 57 HA ALA 57 3.457 -14.012 -6.288 411 HB1 ALA 57 1HB ALA 57 1.712 -14.843 -5.125 412 HB2 ALA 57 2HB ALA 57 1.788 -13.577 -3.898 413 HB3 ALA 57 3HB ALA 57 1.015 -13.256 -5.450 414 H GLY 58 H GLY 58 2.360 -12.739 -7.865 415 HA2 GLY 58 1HA GLY 58 3.341 -10.329 -8.514 416 HA3 GLY 58 2HA GLY 58 1.686 -10.774 -8.905 417 H VAL 59 H VAL 59 3.744 -8.901 -6.847 418 HA VAL 59 HA VAL 59 1.605 -7.987 -5.136 419 HB VAL 59 HB VAL 59 4.451 -7.015 -5.417 420 HG11 VAL 59 1HG1 VAL 59 4.119 -5.715 -3.453 421 HG12 VAL 59 2HG1 VAL 59 2.809 -5.314 -4.566 422 HG13 VAL 59 3HG1 VAL 59 2.509 -6.391 -3.201 423 HG21 VAL 59 1HG2 VAL 59 3.105 -8.910 -3.510 424 HG22 VAL 59 2HG2 VAL 59 4.490 -9.216 -4.557 425 HG23 VAL 59 3HG2 VAL 59 4.658 -8.150 -3.162 426 H LYS 60 H LYS 60 0.631 -5.984 -5.149 427 HA LYS 60 HA LYS 60 1.147 -4.301 -7.512 428 HB2 LYS 60 1HB LYS 60 -1.511 -4.969 -6.236 429 HB3 LYS 60 2HB LYS 60 -1.290 -3.751 -7.485 430 HG2 LYS 60 1HG LYS 60 -0.487 -5.484 -9.021 431 HG3 LYS 60 2HG LYS 60 -0.747 -6.700 -7.768 432 HD2 LYS 60 1HD LYS 60 -3.019 -4.925 -8.502 433 HD3 LYS 60 2HD LYS 60 -2.564 -6.207 -9.627 434 HE2 LYS 60 1HE LYS 60 -2.612 -7.711 -7.501 435 HE3 LYS 60 2HE LYS 60 -3.597 -6.413 -6.827 436 HZ1 LYS 60 1HZ LYS 60 -4.824 -8.289 -7.946 437 HZ2 LYS 60 2HZ LYS 60 -4.232 -7.699 -9.417 438 HZ3 LYS 60 3HZ LYS 60 -5.235 -6.730 -8.459 439 H ILE 61 H ILE 61 1.307 -2.140 -7.194 440 HA ILE 61 HA ILE 61 1.032 -1.195 -4.418 441 HB ILE 61 HB ILE 61 2.781 -0.088 -6.618 442 HG12 ILE 61 1HG1 ILE 61 3.697 -2.166 -5.843 443 HG13 ILE 61 2HG1 ILE 61 4.632 -0.870 -5.107 444 HG21 ILE 61 1HG2 ILE 61 3.286 0.745 -3.864 445 HG22 ILE 61 2HG2 ILE 61 3.221 1.698 -5.346 446 HG23 ILE 61 3HG2 ILE 61 1.731 1.282 -4.500 447 HD11 ILE 61 1HD1 ILE 61 2.837 -2.856 -3.871 448 HD12 ILE 61 2HD1 ILE 61 4.335 -2.145 -3.272 449 HD13 ILE 61 3HD1 ILE 61 2.828 -1.235 -3.179 450 H ALA 62 H ALA 62 -0.698 0.019 -4.081 451 HA ALA 62 HA ALA 62 -1.563 1.860 -6.213 452 HB1 ALA 62 1HB ALA 62 -3.321 0.408 -6.284 453 HB2 ALA 62 2HB ALA 62 -3.151 -0.055 -4.591 454 HB3 ALA 62 3HB ALA 62 -3.888 1.491 -5.011 455 H GLU 63 H GLU 63 -3.126 3.570 -5.228 456 HA GLU 63 HA GLU 63 -2.193 4.404 -2.572 457 HB2 GLU 63 1HB GLU 63 -0.840 5.837 -3.733 458 HB3 GLU 63 2HB GLU 63 -1.885 5.851 -5.147 459 HG2 GLU 63 1HG GLU 63 -3.478 7.275 -3.885 460 HG3 GLU 63 2HG GLU 63 -2.303 7.349 -2.573 461 H VAL 64 H VAL 64 -3.608 5.830 -1.456 462 HA VAL 64 HA VAL 64 -6.214 6.378 -2.626 463 HB VAL 64 HB VAL 64 -5.910 4.662 -0.158 464 HG11 VAL 64 1HG1 VAL 64 -8.377 4.654 -0.114 465 HG12 VAL 64 2HG1 VAL 64 -7.699 6.260 0.166 466 HG13 VAL 64 3HG1 VAL 64 -8.383 5.852 -1.408 467 HG21 VAL 64 1HG2 VAL 64 -5.645 3.348 -2.139 468 HG22 VAL 64 2HG2 VAL 64 -7.263 3.049 -1.504 469 HG23 VAL 64 3HG2 VAL 64 -7.045 4.109 -2.896 470 H ASP 65 H ASP 65 -7.112 8.201 -1.837 471 HA ASP 65 HA ASP 65 -5.619 9.630 0.232 472 HB2 ASP 65 1HB ASP 65 -7.231 11.529 -0.556 473 HB3 ASP 65 2HB ASP 65 -5.883 11.052 -1.585 474 H CYS 66 H CYS 66 -6.653 10.626 2.008 475 HA CYS 66 HA CYS 66 -8.918 9.108 3.001 476 HB2 CYS 66 1HB CYS 66 -6.971 11.040 4.222 477 HB3 CYS 66 2HB CYS 66 -8.458 10.625 5.069 478 H THR 67 H THR 67 -8.181 12.328 1.873 479 HA THR 67 HA THR 67 -10.530 13.595 2.841 480 HB THR 67 HB THR 67 -10.009 15.361 1.151 481 HG1 THR 67 1HG THR 67 -7.846 13.611 0.519 482 HG21 THR 67 1HG2 THR 67 -8.106 14.378 3.200 483 HG22 THR 67 2HG2 THR 67 -8.945 15.925 3.082 484 HG23 THR 67 3HG2 THR 67 -7.517 15.618 2.095 485 H ALA 68 H ALA 68 -9.676 12.115 -0.265 486 HA ALA 68 HA ALA 68 -12.300 12.637 -1.367 487 HB1 ALA 68 1HB ALA 68 -9.715 11.765 -2.381 488 HB2 ALA 68 2HB ALA 68 -11.068 10.880 -3.087 489 HB3 ALA 68 3HB ALA 68 -11.015 12.640 -3.191 490 H GLU 69 H GLU 69 -10.419 9.781 -0.390 491 HA GLU 69 HA GLU 69 -12.885 8.186 -0.505 492 HB2 GLU 69 1HB GLU 69 -10.013 7.256 -0.337 493 HB3 GLU 69 2HB GLU 69 -11.424 6.219 -0.495 494 HG2 GLU 69 1HG GLU 69 -10.367 8.177 -2.517 495 HG3 GLU 69 2HG GLU 69 -10.376 6.418 -2.629 496 H ARG 70 H ARG 70 -13.397 9.440 1.543 497 HA ARG 70 HA ARG 70 -11.986 8.954 3.934 498 HB2 ARG 70 1HB ARG 70 -14.874 9.703 3.456 499 HB3 ARG 70 2HB ARG 70 -14.120 9.666 5.044 500 HG2 ARG 70 1HG ARG 70 -12.916 11.307 2.859 501 HG3 ARG 70 2HG ARG 70 -14.308 11.907 3.762 502 HD2 ARG 70 1HD ARG 70 -11.800 10.906 5.088 503 HD3 ARG 70 2HD ARG 70 -12.031 12.592 4.627 504 HE ARG 70 HE ARG 70 -13.183 11.249 6.872 505 HH11 ARG 70 2HH1 ARG 70 -13.668 13.809 4.564 506 HH12 ARG 70 1HH1 ARG 70 -14.713 14.722 5.600 507 HH21 ARG 70 2HH2 ARG 70 -14.558 12.443 8.246 508 HH22 ARG 70 1HH2 ARG 70 -15.218 13.945 7.695 509 H ASN 71 H ASN 71 -15.064 7.542 2.804 510 HA ASN 71 HA ASN 71 -15.694 5.757 4.671 511 HB2 ASN 71 1HB ASN 71 -15.736 5.575 1.700 512 HB3 ASN 71 2HB ASN 71 -16.054 4.097 2.603 513 HD21 ASN 71 1HD2 ASN 71 -16.983 7.521 2.575 514 HD22 ASN 71 2HD2 ASN 71 -18.654 7.245 2.920 515 H ILE 72 H ILE 72 -13.293 4.988 2.146 516 HA ILE 72 HA ILE 72 -12.488 2.520 3.134 517 HB ILE 72 HB ILE 72 -10.821 4.561 1.659 518 HG12 ILE 72 1HG1 ILE 72 -12.331 2.156 0.619 519 HG13 ILE 72 2HG1 ILE 72 -12.906 3.815 0.512 520 HG21 ILE 72 1HG2 ILE 72 -10.112 1.795 1.228 521 HG22 ILE 72 2HG2 ILE 72 -9.097 3.157 1.700 522 HG23 ILE 72 3HG2 ILE 72 -9.967 2.239 2.929 523 HD11 ILE 72 1HD1 ILE 72 -10.806 2.429 -1.030 524 HD12 ILE 72 2HD1 ILE 72 -11.976 3.647 -1.536 525 HD13 ILE 72 3HD1 ILE 72 -10.531 4.128 -0.648 526 H CYS 73 H CYS 73 -10.677 5.574 3.516 527 HA CYS 73 HA CYS 73 -8.789 4.761 5.312 528 HB2 CYS 73 1HB CYS 73 -10.146 7.360 4.797 529 HB3 CYS 73 2HB CYS 73 -9.178 7.229 6.262 530 H SER 74 H SER 74 -11.858 6.321 6.259 531 HA SER 74 HA SER 74 -11.661 5.977 8.986 532 HB2 SER 74 1HB SER 74 -13.437 7.282 7.798 533 HB3 SER 74 2HB SER 74 -14.226 5.757 7.392 534 HG SER 74 HG SER 74 -13.592 6.180 10.067 535 H LYS 75 H LYS 75 -12.915 3.710 6.575 536 HA LYS 75 HA LYS 75 -13.872 1.740 8.301 537 HB2 LYS 75 1HB LYS 75 -14.342 1.701 5.916 538 HB3 LYS 75 2HB LYS 75 -12.639 1.456 5.554 539 HG2 LYS 75 1HG LYS 75 -12.961 -0.673 7.061 540 HG3 LYS 75 2HG LYS 75 -14.653 -0.460 6.609 541 HD2 LYS 75 1HD LYS 75 -12.554 -0.375 4.489 542 HD3 LYS 75 2HD LYS 75 -13.054 -1.935 5.146 543 HE2 LYS 75 1HE LYS 75 -14.340 -1.378 3.155 544 HE3 LYS 75 2HE LYS 75 -15.377 -1.430 4.579 545 HZ1 LYS 75 1HZ LYS 75 -14.250 1.165 3.917 546 HZ2 LYS 75 2HZ LYS 75 -15.800 0.765 4.461 547 HZ3 LYS 75 3HZ LYS 75 -15.399 0.565 2.830 548 H TYR 76 H TYR 76 -10.616 2.459 7.237 549 HA TYR 76 HA TYR 76 -9.585 0.085 8.605 550 HB2 TYR 76 1HB TYR 76 -8.309 2.078 6.734 551 HB3 TYR 76 2HB TYR 76 -7.383 0.856 7.598 552 HD1 TYR 76 1HD TYR 76 -7.892 -1.578 7.170 553 HD2 TYR 76 2HD TYR 76 -9.470 1.546 4.751 554 HE1 TYR 76 1HE TYR 76 -8.372 -3.207 5.391 555 HE2 TYR 76 2HE TYR 76 -9.957 -0.075 2.965 556 HH TYR 76 HH TYR 76 -9.037 -3.484 3.278 557 H SER 77 H SER 77 -10.684 2.579 9.902 558 HA SER 77 HA SER 77 -10.166 4.066 11.565 559 HB2 SER 77 1HB SER 77 -8.798 1.502 12.241 560 HB3 SER 77 2HB SER 77 -8.452 2.912 13.242 561 HG SER 77 HG SER 77 -10.412 1.376 13.625 562 H VAL 78 H VAL 78 -8.470 4.159 9.123 563 HA VAL 78 HA VAL 78 -5.794 4.738 9.878 564 HB VAL 78 HB VAL 78 -7.207 5.813 7.442 565 HG11 VAL 78 1HG1 VAL 78 -4.616 6.145 8.400 566 HG12 VAL 78 2HG1 VAL 78 -4.473 4.932 7.126 567 HG13 VAL 78 3HG1 VAL 78 -5.199 6.501 6.774 568 HG21 VAL 78 1HG2 VAL 78 -7.202 3.804 6.434 569 HG22 VAL 78 2HG2 VAL 78 -5.669 3.328 7.163 570 HG23 VAL 78 3HG2 VAL 78 -7.167 3.172 8.079 571 H ARG 79 H ARG 79 -5.357 6.312 11.291 572 HA ARG 79 HA ARG 79 -6.586 8.951 10.832 573 HB2 ARG 79 1HB ARG 79 -6.109 7.446 13.373 574 HB3 ARG 79 2HB ARG 79 -6.046 9.203 13.394 575 HG2 ARG 79 1HG ARG 79 -8.292 9.417 12.847 576 HG3 ARG 79 2HG ARG 79 -8.391 7.774 12.208 577 HD2 ARG 79 1HD ARG 79 -9.530 7.887 14.334 578 HD3 ARG 79 2HD ARG 79 -8.075 6.902 14.495 579 HE ARG 79 HE ARG 79 -7.512 9.580 15.189 580 HH11 ARG 79 2HH1 ARG 79 -9.175 6.754 16.361 581 HH12 ARG 79 1HH1 ARG 79 -8.985 7.175 18.032 582 HH21 ARG 79 2HH2 ARG 79 -7.255 10.144 17.385 583 HH22 ARG 79 1HH2 ARG 79 -7.894 9.104 18.612 584 H GLY 80 H GLY 80 -3.727 7.147 11.818 585 HA2 GLY 80 1HA GLY 80 -2.125 9.592 11.872 586 HA3 GLY 80 2HA GLY 80 -1.588 7.987 12.345 587 H TYR 81 H TYR 81 -1.886 10.261 9.770 588 HA TYR 81 HA TYR 81 -0.883 8.343 7.805 589 HB2 TYR 81 1HB TYR 81 -1.415 11.228 7.192 590 HB3 TYR 81 2HB TYR 81 -1.557 9.824 6.142 591 HD1 TYR 81 1HD TYR 81 -3.241 8.043 7.800 592 HD2 TYR 81 2HD TYR 81 -3.522 12.229 7.093 593 HE1 TYR 81 1HE TYR 81 -5.658 7.950 8.246 594 HE2 TYR 81 2HE TYR 81 -5.940 12.148 7.538 595 HH TYR 81 HH TYR 81 -7.453 9.553 9.006 596 HA PRO 82 HA PRO 82 0.053 8.765 5.679 597 HB2 PRO 82 1HB PRO 82 2.219 7.340 4.876 598 HB3 PRO 82 2HB PRO 82 1.956 9.027 4.421 599 HG2 PRO 82 1HG PRO 82 3.696 7.896 6.578 600 HG3 PRO 82 2HG PRO 82 4.045 9.199 5.427 601 HD2 PRO 82 1HD PRO 82 3.312 9.677 7.990 602 HD3 PRO 82 2HD PRO 82 2.883 10.766 6.656 603 H THR 83 H THR 83 -0.498 6.560 5.263 604 HA THR 83 HA THR 83 0.210 4.652 7.382 605 HB THR 83 HB THR 83 -2.606 5.118 6.378 606 HG1 THR 83 1HG THR 83 -1.853 5.405 9.065 607 HG21 THR 83 1HG2 THR 83 -1.533 3.208 8.458 608 HG22 THR 83 2HG2 THR 83 -2.189 2.770 6.881 609 HG23 THR 83 3HG2 THR 83 -3.238 3.483 8.105 610 H LEU 84 H LEU 84 0.402 2.544 6.740 611 HA LEU 84 HA LEU 84 -0.292 1.886 3.965 612 HB2 LEU 84 1HB LEU 84 2.267 0.906 5.161 613 HB3 LEU 84 2HB LEU 84 1.799 1.006 3.465 614 HG LEU 84 HG LEU 84 2.380 3.418 5.177 615 HD11 LEU 84 1HD1 LEU 84 4.399 2.136 5.083 616 HD12 LEU 84 2HD1 LEU 84 4.545 3.482 3.952 617 HD13 LEU 84 3HD1 LEU 84 4.201 1.858 3.353 618 HD21 LEU 84 1HD2 LEU 84 2.767 3.585 2.302 619 HD22 LEU 84 2HD2 LEU 84 1.869 4.646 3.388 620 HD23 LEU 84 3HD2 LEU 84 1.104 3.193 2.742 621 H LEU 85 H LEU 85 -1.303 -0.009 3.758 622 HA LEU 85 HA LEU 85 -1.028 -1.998 5.906 623 HB2 LEU 85 1HB LEU 85 -3.578 -1.071 4.596 624 HB3 LEU 85 2HB LEU 85 -3.455 -2.504 5.615 625 HG LEU 85 HG LEU 85 -2.749 0.243 6.617 626 HD11 LEU 85 1HD1 LEU 85 -5.418 -1.064 6.339 627 HD12 LEU 85 2HD1 LEU 85 -4.958 0.619 6.089 628 HD13 LEU 85 3HD1 LEU 85 -5.090 -0.025 7.725 629 HD21 LEU 85 1HD2 LEU 85 -3.692 -1.212 8.704 630 HD22 LEU 85 2HD2 LEU 85 -1.989 -1.075 8.269 631 HD23 LEU 85 3HD2 LEU 85 -2.927 -2.468 7.730 632 H LEU 86 H LEU 86 -0.866 -4.083 5.260 633 HA LEU 86 HA LEU 86 -0.754 -4.554 2.372 634 HB2 LEU 86 1HB LEU 86 1.196 -5.118 3.813 635 HB3 LEU 86 2HB LEU 86 0.195 -6.323 4.622 636 HG LEU 86 HG LEU 86 -0.068 -7.429 2.359 637 HD11 LEU 86 1HD1 LEU 86 1.042 -6.723 0.533 638 HD12 LEU 86 2HD1 LEU 86 2.434 -6.163 1.459 639 HD13 LEU 86 3HD1 LEU 86 0.985 -5.163 1.354 640 HD21 LEU 86 1HD2 LEU 86 1.782 -7.756 4.324 641 HD22 LEU 86 2HD2 LEU 86 2.812 -7.530 2.910 642 HD23 LEU 86 3HD2 LEU 86 1.603 -8.816 2.926 643 H PHE 87 H PHE 87 -1.781 -6.339 1.404 644 HA PHE 87 HA PHE 87 -3.820 -7.706 3.010 645 HB2 PHE 87 1HB PHE 87 -4.323 -6.309 0.374 646 HB3 PHE 87 2HB PHE 87 -5.470 -7.378 1.175 647 HD1 PHE 87 1HD PHE 87 -3.652 -4.177 1.495 648 HD2 PHE 87 2HD PHE 87 -6.857 -6.597 2.906 649 HE1 PHE 87 1HE PHE 87 -4.525 -2.267 2.777 650 HE2 PHE 87 2HE PHE 87 -7.734 -4.691 4.189 651 HZ PHE 87 HZ PHE 87 -6.569 -2.521 4.126 652 H ARG 88 H ARG 88 -3.825 -9.829 2.675 653 HA ARG 88 HA ARG 88 -2.754 -10.857 0.133 654 HB2 ARG 88 1HB ARG 88 -1.085 -11.120 1.928 655 HB3 ARG 88 2HB ARG 88 -2.262 -12.013 2.883 656 HG2 ARG 88 1HG ARG 88 -2.072 -13.895 1.616 657 HG3 ARG 88 2HG ARG 88 -1.656 -13.002 0.153 658 HD2 ARG 88 1HD ARG 88 0.562 -12.894 0.684 659 HD3 ARG 88 2HD ARG 88 0.259 -12.923 2.421 660 HE ARG 88 HE ARG 88 -0.462 -15.395 1.710 661 HH11 ARG 88 2HH1 ARG 88 2.354 -13.507 0.921 662 HH12 ARG 88 1HH1 ARG 88 3.395 -14.883 0.766 663 HH21 ARG 88 2HH2 ARG 88 0.899 -17.215 1.510 664 HH22 ARG 88 1HH2 ARG 88 2.565 -16.992 1.100 665 H GLY 89 H GLY 89 -4.332 -11.864 -0.916 666 HA2 GLY 89 1HA GLY 89 -6.016 -13.379 -1.344 667 HA3 GLY 89 2HA GLY 89 -5.801 -13.999 0.286 668 H GLY 90 H GLY 90 -6.512 -10.639 -0.434 669 HA2 GLY 90 1HA GLY 90 -8.416 -9.378 -0.110 670 HA3 GLY 90 2HA GLY 90 -9.336 -10.874 -0.044 671 H LYS 91 H LYS 91 -6.638 -9.873 2.016 672 HA LYS 91 HA LYS 91 -8.350 -9.217 4.228 673 HB2 LYS 91 1HB LYS 91 -6.969 -11.867 4.075 674 HB3 LYS 91 2HB LYS 91 -7.129 -11.072 5.636 675 HG2 LYS 91 1HG LYS 91 -9.620 -10.900 5.085 676 HG3 LYS 91 2HG LYS 91 -9.285 -12.080 3.815 677 HD2 LYS 91 1HD LYS 91 -10.013 -13.286 5.739 678 HD3 LYS 91 2HD LYS 91 -8.275 -13.551 5.578 679 HE2 LYS 91 1HE LYS 91 -7.775 -12.169 7.384 680 HE3 LYS 91 2HE LYS 91 -9.331 -11.345 7.307 681 HZ1 LYS 91 1HZ LYS 91 -10.417 -13.256 8.180 682 HZ2 LYS 91 2HZ LYS 91 -9.100 -12.923 9.188 683 HZ3 LYS 91 3HZ LYS 91 -9.012 -14.193 8.074 684 H LYS 92 H LYS 92 -7.295 -8.060 5.794 685 HA LYS 92 HA LYS 92 -4.826 -6.876 5.125 686 HB2 LYS 92 1HB LYS 92 -5.053 -5.611 7.088 687 HB3 LYS 92 2HB LYS 92 -6.708 -5.943 6.598 688 HG2 LYS 92 1HG LYS 92 -6.413 -8.005 8.209 689 HG3 LYS 92 2HG LYS 92 -5.169 -6.975 8.920 690 HD2 LYS 92 1HD LYS 92 -7.112 -5.173 8.768 691 HD3 LYS 92 2HD LYS 92 -8.120 -6.621 8.830 692 HE2 LYS 92 1HE LYS 92 -6.638 -7.276 10.845 693 HE3 LYS 92 2HE LYS 92 -6.185 -5.573 10.865 694 HZ1 LYS 92 1HZ LYS 92 -7.981 -5.402 12.176 695 HZ2 LYS 92 2HZ LYS 92 -8.687 -6.830 11.609 696 HZ3 LYS 92 3HZ LYS 92 -8.842 -5.399 10.721 697 H VAL 93 H VAL 93 -2.779 -7.397 5.593 698 HA VAL 93 HA VAL 93 -2.303 -9.862 7.088 699 HB VAL 93 HB VAL 93 -0.368 -8.215 5.452 700 HG11 VAL 93 1HG1 VAL 93 0.209 -10.074 7.379 701 HG12 VAL 93 2HG1 VAL 93 0.208 -11.042 5.904 702 HG13 VAL 93 3HG1 VAL 93 1.261 -9.633 6.034 703 HG21 VAL 93 1HG2 VAL 93 -0.612 -10.074 3.803 704 HG22 VAL 93 2HG2 VAL 93 -1.965 -10.676 4.759 705 HG23 VAL 93 3HG2 VAL 93 -2.061 -9.088 4.000 706 H SER 94 H SER 94 -0.629 -6.717 6.852 707 HA SER 94 HA SER 94 -0.646 -6.373 9.707 708 HB2 SER 94 1HB SER 94 1.268 -8.021 9.140 709 HB3 SER 94 2HB SER 94 2.084 -6.611 8.463 710 HG SER 94 HG SER 94 2.194 -5.706 10.440 711 H GLU 95 H GLU 95 0.124 -4.307 10.365 712 HA GLU 95 HA GLU 95 0.077 -2.354 8.187 713 HB2 GLU 95 1HB GLU 95 -1.528 -2.044 10.017 714 HB3 GLU 95 2HB GLU 95 -0.206 -1.970 11.173 715 HG2 GLU 95 1HG GLU 95 0.408 0.136 10.555 716 HG3 GLU 95 2HG GLU 95 -0.193 -0.052 8.908 717 H HIS 96 H HIS 96 1.931 -1.578 7.455 718 HA HIS 96 HA HIS 96 4.450 -2.107 8.396 719 HB2 HIS 96 1HB HIS 96 3.753 -1.016 6.185 720 HB3 HIS 96 2HB HIS 96 3.777 0.512 7.062 721 HD1 HIS 96 1HD HIS 96 6.316 0.344 8.650 722 HD2 HIS 96 2HD HIS 96 6.032 -1.015 4.734 723 HE1 HIS 96 1HE HIS 96 8.668 0.356 7.762 724 HE2 HIS 96 2HE HIS 96 8.461 -0.389 5.365 725 H SER 97 H SER 97 5.710 -1.408 10.006 726 HA SER 97 HA SER 97 4.783 0.916 11.563 727 HB2 SER 97 1HB SER 97 5.814 -0.161 13.538 728 HB3 SER 97 2HB SER 97 4.547 -1.161 12.830 729 HG SER 97 HG SER 97 7.347 -1.462 12.472 730 H GLY 98 H GLY 98 7.633 -0.896 10.481 731 HA2 GLY 98 1HA GLY 98 9.638 0.743 11.469 732 HA3 GLY 98 2HA GLY 98 9.762 -0.195 9.987 733 H GLY 99 H GLY 99 11.176 1.783 9.554 734 HA2 GLY 99 1HA GLY 99 10.014 4.307 9.075 735 HA3 GLY 99 2HA GLY 99 11.526 3.730 8.389 736 H ARG 100 H ARG 100 9.647 5.369 7.040 737 HA ARG 100 HA ARG 100 8.329 3.588 5.136 738 HB2 ARG 100 1HB ARG 100 8.144 6.507 5.771 739 HB3 ARG 100 2HB ARG 100 7.633 5.941 4.186 740 HG2 ARG 100 1HG ARG 100 5.972 4.522 5.147 741 HG3 ARG 100 2HG ARG 100 6.579 4.834 6.776 742 HD2 ARG 100 1HD ARG 100 5.600 7.060 5.021 743 HD3 ARG 100 2HD ARG 100 4.482 6.097 5.985 744 HE ARG 100 HE ARG 100 6.329 8.088 6.939 745 HH11 ARG 100 2HH1 ARG 100 4.445 5.279 7.769 746 HH12 ARG 100 1HH1 ARG 100 4.385 5.658 9.458 747 HH21 ARG 100 2HH2 ARG 100 6.257 8.596 9.161 748 HH22 ARG 100 1HH2 ARG 100 5.415 7.546 10.249 749 H ASP 101 H ASP 101 11.177 3.614 5.160 750 HA ASP 101 HA ASP 101 12.061 5.234 2.938 751 HB2 ASP 101 1HB ASP 101 13.645 2.959 4.087 752 HB3 ASP 101 2HB ASP 101 14.218 4.483 3.415 753 H LEU 102 H LEU 102 12.631 4.519 0.897 754 HA LEU 102 HA LEU 102 11.102 2.837 -0.503 755 HB2 LEU 102 1HB LEU 102 12.680 4.087 -1.697 756 HB3 LEU 102 2HB LEU 102 14.032 3.402 -0.797 757 HG LEU 102 HG LEU 102 13.710 1.263 -1.953 758 HD11 LEU 102 1HD1 LEU 102 12.199 1.507 -4.078 759 HD12 LEU 102 2HD1 LEU 102 11.366 2.708 -3.092 760 HD13 LEU 102 3HD1 LEU 102 11.501 1.044 -2.526 761 HD21 LEU 102 1HD2 LEU 102 15.268 2.869 -2.885 762 HD22 LEU 102 2HD2 LEU 102 13.964 3.653 -3.778 763 HD23 LEU 102 3HD2 LEU 102 14.443 2.003 -4.182 764 H ASP 103 H ASP 103 14.146 1.794 1.030 765 HA ASP 103 HA ASP 103 13.726 -0.961 0.432 766 HB2 ASP 103 1HB ASP 103 15.970 0.062 0.811 767 HB3 ASP 103 2HB ASP 103 15.559 0.244 2.515 768 H SER 104 H SER 104 13.408 0.973 3.397 769 HA SER 104 HA SER 104 12.726 -0.956 5.212 770 HB2 SER 104 1HB SER 104 12.920 1.614 5.501 771 HB3 SER 104 2HB SER 104 11.196 1.634 5.129 772 HG SER 104 HG SER 104 11.231 -0.140 6.879 773 H LEU 105 H LEU 105 10.848 0.206 2.540 774 HA LEU 105 HA LEU 105 8.375 -0.960 3.482 775 HB2 LEU 105 1HB LEU 105 9.139 0.264 0.836 776 HB3 LEU 105 2HB LEU 105 7.520 -0.298 1.246 777 HG LEU 105 HG LEU 105 8.817 1.762 2.971 778 HD11 LEU 105 1HD1 LEU 105 8.073 3.548 1.556 779 HD12 LEU 105 2HD1 LEU 105 7.395 2.407 0.395 780 HD13 LEU 105 3HD1 LEU 105 9.142 2.500 0.623 781 HD21 LEU 105 1HD2 LEU 105 6.577 0.592 3.398 782 HD22 LEU 105 2HD2 LEU 105 5.963 1.571 2.065 783 HD23 LEU 105 3HD2 LEU 105 6.620 2.352 3.504 784 H HIS 106 H HIS 106 10.780 -1.640 0.965 785 HA HIS 106 HA HIS 106 9.531 -3.875 -0.164 786 HB2 HIS 106 1HB HIS 106 11.505 -2.644 -1.110 787 HB3 HIS 106 2HB HIS 106 12.513 -3.445 0.092 788 HD1 HIS 106 1HD HIS 106 13.760 -5.276 -0.979 789 HD2 HIS 106 2HD HIS 106 9.914 -4.938 -2.515 790 HE1 HIS 106 1HE HIS 106 13.545 -7.128 -2.667 791 HE2 HIS 106 2HE HIS 106 11.241 -6.851 -3.644 792 H ARG 107 H ARG 107 11.727 -3.595 2.588 793 HA ARG 107 HA ARG 107 12.033 -6.381 3.017 794 HB2 ARG 107 1HB ARG 107 12.813 -5.669 5.301 795 HB3 ARG 107 2HB ARG 107 13.665 -4.922 3.956 796 HG2 ARG 107 1HG ARG 107 12.830 -2.849 4.391 797 HG3 ARG 107 2HG ARG 107 11.338 -3.477 5.091 798 HD2 ARG 107 1HD ARG 107 12.442 -2.651 6.947 799 HD3 ARG 107 2HD ARG 107 12.889 -4.355 6.974 800 HE ARG 107 HE ARG 107 14.775 -2.770 5.534 801 HH11 ARG 107 2HH1 ARG 107 13.771 -3.735 8.725 802 HH12 ARG 107 1HH1 ARG 107 15.334 -3.491 9.432 803 HH21 ARG 107 2HH2 ARG 107 16.837 -2.447 6.452 804 HH22 ARG 107 1HH2 ARG 107 17.077 -2.757 8.138 805 H PHE 108 H PHE 108 9.599 -4.072 3.900 806 HA PHE 108 HA PHE 108 8.432 -5.499 6.045 807 HB2 PHE 108 1HB PHE 108 7.938 -3.155 5.758 808 HB3 PHE 108 2HB PHE 108 7.274 -3.446 4.153 809 HD1 PHE 108 1HD PHE 108 6.746 -4.170 7.749 810 HD2 PHE 108 2HD PHE 108 5.011 -3.939 3.870 811 HE1 PHE 108 1HE PHE 108 4.510 -4.460 8.736 812 HE2 PHE 108 2HE PHE 108 2.773 -4.227 4.849 813 HZ PHE 108 HZ PHE 108 2.520 -4.488 7.285 814 H VAL 109 H VAL 109 7.479 -5.234 2.621 815 HA VAL 109 HA VAL 109 5.397 -7.140 2.781 816 HB VAL 109 HB VAL 109 6.975 -6.333 0.335 817 HG11 VAL 109 1HG1 VAL 109 5.772 -8.010 -0.558 818 HG12 VAL 109 2HG1 VAL 109 4.626 -8.039 0.784 819 HG13 VAL 109 3HG1 VAL 109 4.448 -6.846 -0.503 820 HG21 VAL 109 1HG2 VAL 109 5.934 -4.366 0.334 821 HG22 VAL 109 2HG2 VAL 109 4.367 -5.125 0.612 822 HG23 VAL 109 3HG2 VAL 109 5.405 -4.722 1.978 823 H LEU 110 H LEU 110 8.825 -7.387 2.028 824 HA LEU 110 HA LEU 110 8.845 -10.008 1.029 825 HB2 LEU 110 1HB LEU 110 10.917 -8.351 2.437 826 HB3 LEU 110 2HB LEU 110 11.252 -9.987 1.875 827 HG LEU 110 HG LEU 110 10.306 -7.812 0.026 828 HD11 LEU 110 1HD1 LEU 110 12.259 -6.805 0.540 829 HD12 LEU 110 2HD1 LEU 110 12.914 -8.019 -0.559 830 HD13 LEU 110 3HD1 LEU 110 12.979 -8.281 1.185 831 HD21 LEU 110 1HD2 LEU 110 10.069 -9.717 -1.181 832 HD22 LEU 110 2HD2 LEU 110 11.262 -10.603 -0.230 833 HD23 LEU 110 3HD2 LEU 110 11.790 -9.455 -1.462 834 H SER 111 H SER 111 9.406 -8.810 4.335 835 HA SER 111 HA SER 111 9.650 -11.423 5.453 836 HB2 SER 111 1HB SER 111 10.656 -9.376 6.467 837 HB3 SER 111 2HB SER 111 9.032 -8.826 6.880 838 HG SER 111 HG SER 111 8.874 -10.942 8.007 839 H GLN 112 H GLN 112 7.062 -8.985 5.466 840 HA GLN 112 HA GLN 112 5.194 -10.270 7.023 841 HB2 GLN 112 1HB GLN 112 4.961 -8.414 4.685 842 HB3 GLN 112 2HB GLN 112 3.509 -9.122 5.378 843 HG2 GLN 112 1HG GLN 112 5.537 -7.450 6.845 844 HG3 GLN 112 2HG GLN 112 3.946 -6.920 6.302 845 HE21 GLN 112 1HE2 GLN 112 5.157 -7.092 8.996 846 HE22 GLN 112 2HE2 GLN 112 4.055 -8.039 9.931 847 H ALA 113 H ALA 113 5.223 -10.389 3.455 848 HA ALA 113 HA ALA 113 3.334 -12.378 3.129 849 HB1 ALA 113 1HB ALA 113 4.114 -11.094 1.255 850 HB2 ALA 113 2HB ALA 113 5.740 -11.759 1.422 851 HB3 ALA 113 3HB ALA 113 4.405 -12.802 0.931 852 H LYS 114 H LYS 114 6.859 -12.739 3.430 853 HA LYS 114 HA LYS 114 6.950 -15.528 3.173 854 HB2 LYS 114 1HB LYS 114 8.762 -13.507 4.457 855 HB3 LYS 114 2HB LYS 114 9.110 -15.226 4.590 856 HG2 LYS 114 1HG LYS 114 9.304 -15.440 2.219 857 HG3 LYS 114 2HG LYS 114 8.728 -13.789 1.974 858 HD2 LYS 114 1HD LYS 114 10.786 -13.210 3.520 859 HD3 LYS 114 2HD LYS 114 11.378 -14.763 2.924 860 HE2 LYS 114 1HE LYS 114 10.930 -13.922 0.599 861 HE3 LYS 114 2HE LYS 114 10.612 -12.339 1.306 862 HZ1 LYS 114 1HZ LYS 114 13.124 -13.659 2.008 863 HZ2 LYS 114 2HZ LYS 114 12.791 -12.015 1.792 864 HZ3 LYS 114 3HZ LYS 114 12.990 -13.021 0.446 865 H ASP 115 H ASP 115 5.788 -16.883 4.378 866 HA ASP 115 HA ASP 115 6.192 -16.934 7.237 867 HB2 ASP 115 1HB ASP 115 3.934 -16.686 7.915 868 HB3 ASP 115 2HB ASP 115 4.249 -15.346 6.816 869 H GLU 116 H GLU 116 6.166 -18.972 7.986 870 HA GLU 116 HA GLU 116 5.927 -21.134 6.163 871 HB2 GLU 116 1HB GLU 116 6.304 -20.959 9.142 872 HB3 GLU 116 2HB GLU 116 6.093 -22.509 8.341 873 HG2 GLU 116 1HG GLU 116 8.121 -22.406 7.294 874 HG3 GLU 116 2HG GLU 116 8.162 -20.644 7.306 875 H LEU 117 H LEU 117 3.991 -21.634 5.338 876 HA LEU 117 HA LEU 117 1.558 -21.374 6.838 877 HB2 LEU 117 1HB LEU 117 2.251 -22.396 4.108 878 HB3 LEU 117 2HB LEU 117 0.632 -22.610 4.771 879 HG LEU 117 HG LEU 117 0.857 -19.981 5.127 880 HD11 LEU 117 1HD1 LEU 117 1.974 -19.543 2.629 881 HD12 LEU 117 2HD1 LEU 117 3.079 -20.673 3.410 882 HD13 LEU 117 3HD1 LEU 117 2.687 -19.140 4.190 883 HD21 LEU 117 1HD2 LEU 117 0.023 -21.555 2.721 884 HD22 LEU 117 2HD2 LEU 117 -0.124 -19.797 2.746 885 HD23 LEU 117 3HD2 LEU 117 -0.977 -20.771 3.944 Start of MODEL 19 1 H1 GLY 1 H GLY 1 6.724 -2.192 -21.635 2 HA2 GLY 1 1HA GLY 1 4.780 -2.968 -23.026 3 HA3 GLY 1 2HA GLY 1 4.747 -4.364 -21.960 4 H SER 2 H SER 2 3.148 -4.273 -20.545 5 HA SER 2 HA SER 2 2.214 -1.638 -19.636 6 HB2 SER 2 1HB SER 2 0.458 -2.921 -20.671 7 HB3 SER 2 2HB SER 2 0.843 -4.335 -19.690 8 HG SER 2 HG SER 2 -0.401 -1.927 -18.933 9 H SER 3 H SER 3 2.829 -4.925 -18.412 10 HA SER 3 HA SER 3 3.351 -5.706 -16.338 11 HB2 SER 3 1HB SER 3 4.853 -3.140 -16.580 12 HB3 SER 3 2HB SER 3 4.809 -3.922 -15.000 13 HG SER 3 HG SER 3 5.392 -5.881 -16.430 14 H GLY 4 H GLY 4 0.790 -4.639 -16.516 15 HA2 GLY 4 1HA GLY 4 -0.752 -4.571 -14.664 16 HA3 GLY 4 2HA GLY 4 0.443 -3.649 -13.762 17 H SER 5 H SER 5 -2.160 -2.789 -13.902 18 HA SER 5 HA SER 5 -2.904 -1.093 -15.941 19 HB2 SER 5 1HB SER 5 -4.177 0.171 -14.192 20 HB3 SER 5 2HB SER 5 -4.423 -1.574 -14.129 21 HG SER 5 HG SER 5 -2.570 -1.428 -12.526 22 H SER 6 H SER 6 -1.150 -0.144 -12.984 23 HA SER 6 HA SER 6 -0.065 2.149 -14.486 24 HB2 SER 6 1HB SER 6 -1.683 2.463 -12.410 25 HB3 SER 6 2HB SER 6 -0.194 2.197 -11.501 26 HG SER 6 HG SER 6 0.672 3.885 -13.026 27 H GLY 7 H GLY 7 2.108 2.605 -14.319 28 HA2 GLY 7 1HA GLY 7 3.744 0.414 -13.268 29 HA3 GLY 7 2HA GLY 7 4.272 1.648 -14.402 30 H THR 8 H THR 8 2.871 3.638 -12.505 31 HA THR 8 HA THR 8 5.197 3.954 -10.743 32 HB THR 8 HB THR 8 4.489 6.300 -10.501 33 HG1 THR 8 1HG THR 8 2.380 6.487 -10.855 34 HG21 THR 8 1HG2 THR 8 5.274 7.030 -12.573 35 HG22 THR 8 2HG2 THR 8 4.502 5.703 -13.441 36 HG23 THR 8 3HG2 THR 8 5.927 5.397 -12.449 37 H VAL 9 H VAL 9 1.661 4.415 -10.661 38 HA VAL 9 HA VAL 9 1.484 3.164 -8.077 39 HB VAL 9 HB VAL 9 0.875 6.115 -8.312 40 HG11 VAL 9 1HG1 VAL 9 -0.711 4.598 -6.950 41 HG12 VAL 9 2HG1 VAL 9 0.626 4.498 -5.803 42 HG13 VAL 9 3HG1 VAL 9 -0.083 6.064 -6.197 43 HG21 VAL 9 1HG2 VAL 9 2.971 4.571 -6.802 44 HG22 VAL 9 2HG2 VAL 9 3.209 5.843 -8.001 45 HG23 VAL 9 3HG2 VAL 9 2.541 6.238 -6.416 46 H LEU 10 H LEU 10 -0.471 2.258 -7.806 47 HA LEU 10 HA LEU 10 -2.454 2.658 -9.889 48 HB2 LEU 10 1HB LEU 10 -1.935 0.620 -7.794 49 HB3 LEU 10 2HB LEU 10 -3.593 0.809 -8.360 50 HG LEU 10 HG LEU 10 -2.390 0.576 -10.725 51 HD11 LEU 10 1HD1 LEU 10 -0.197 0.293 -9.272 52 HD12 LEU 10 2HD1 LEU 10 -0.444 -0.606 -10.768 53 HD13 LEU 10 3HD1 LEU 10 -0.748 -1.381 -9.214 54 HD21 LEU 10 1HD2 LEU 10 -2.774 -1.961 -10.414 55 HD22 LEU 10 2HD2 LEU 10 -4.146 -0.864 -10.254 56 HD23 LEU 10 3HD2 LEU 10 -3.362 -1.512 -8.812 57 H ALA 11 H ALA 11 -4.656 3.131 -9.477 58 HA ALA 11 HA ALA 11 -5.114 4.563 -6.940 59 HB1 ALA 11 1HB ALA 11 -5.070 6.221 -8.593 60 HB2 ALA 11 2HB ALA 11 -5.979 5.231 -9.736 61 HB3 ALA 11 3HB ALA 11 -6.785 5.911 -8.322 62 H LEU 12 H LEU 12 -6.232 3.109 -5.751 63 HA LEU 12 HA LEU 12 -8.275 1.442 -6.917 64 HB2 LEU 12 1HB LEU 12 -7.545 1.872 -4.024 65 HB3 LEU 12 2HB LEU 12 -8.587 0.597 -4.654 66 HG LEU 12 HG LEU 12 -5.644 0.891 -5.255 67 HD11 LEU 12 1HD1 LEU 12 -5.399 -1.100 -3.823 68 HD12 LEU 12 2HD1 LEU 12 -7.100 -0.965 -3.379 69 HD13 LEU 12 3HD1 LEU 12 -5.970 0.313 -2.933 70 HD21 LEU 12 1HD2 LEU 12 -6.919 -1.688 -5.693 71 HD22 LEU 12 2HD2 LEU 12 -5.852 -0.757 -6.745 72 HD23 LEU 12 3HD2 LEU 12 -7.582 -0.411 -6.714 73 H THR 13 H THR 13 -10.493 1.483 -6.397 74 HA THR 13 HA THR 13 -11.475 3.997 -5.224 75 HB THR 13 HB THR 13 -13.222 4.166 -6.894 76 HG1 THR 13 1HG THR 13 -12.185 1.678 -7.700 77 HG21 THR 13 1HG2 THR 13 -10.751 4.953 -7.306 78 HG22 THR 13 2HG2 THR 13 -11.945 5.044 -8.602 79 HG23 THR 13 3HG2 THR 13 -10.785 3.716 -8.561 80 H GLU 14 H GLU 14 -13.765 3.873 -4.537 81 HA GLU 14 HA GLU 14 -14.220 1.707 -2.839 82 HB2 GLU 14 1HB GLU 14 -15.264 4.132 -2.948 83 HB3 GLU 14 2HB GLU 14 -16.531 3.307 -3.845 84 HG2 GLU 14 1HG GLU 14 -16.423 1.653 -1.796 85 HG3 GLU 14 2HG GLU 14 -15.767 3.076 -0.988 86 H ASN 15 H ASN 15 -14.567 1.869 -6.172 87 HA ASN 15 HA ASN 15 -16.672 -0.155 -6.285 88 HB2 ASN 15 1HB ASN 15 -16.937 1.615 -7.882 89 HB3 ASN 15 2HB ASN 15 -15.272 1.449 -8.429 90 HD21 ASN 15 1HD2 ASN 15 -14.849 0.130 -10.075 91 HD22 ASN 15 2HD2 ASN 15 -15.983 -0.954 -10.798 92 H ASN 16 H ASN 16 -13.249 0.283 -6.970 93 HA ASN 16 HA ASN 16 -13.003 -2.635 -7.236 94 HB2 ASN 16 1HB ASN 16 -11.096 -2.150 -8.862 95 HB3 ASN 16 2HB ASN 16 -12.728 -1.882 -9.465 96 HD21 ASN 16 1HD2 ASN 16 -10.117 -0.147 -7.807 97 HD22 ASN 16 2HD2 ASN 16 -10.324 1.335 -8.671 98 H PHE 17 H PHE 17 -12.688 -1.360 -4.834 99 HA PHE 17 HA PHE 17 -9.820 -0.956 -4.449 100 HB2 PHE 17 1HB PHE 17 -11.075 0.709 -3.344 101 HB3 PHE 17 2HB PHE 17 -12.237 -0.459 -2.725 102 HD1 PHE 17 1HD PHE 17 -11.358 -2.182 -1.027 103 HD2 PHE 17 2HD PHE 17 -9.316 1.419 -2.020 104 HE1 PHE 17 1HE PHE 17 -10.093 -2.323 1.078 105 HE2 PHE 17 2HE PHE 17 -8.048 1.283 0.084 106 HZ PHE 17 HZ PHE 17 -8.435 -0.590 1.636 107 H ASP 18 H ASP 18 -12.460 -2.995 -3.240 108 HA ASP 18 HA ASP 18 -10.703 -4.626 -1.659 109 HB2 ASP 18 1HB ASP 18 -12.758 -6.074 -1.416 110 HB3 ASP 18 2HB ASP 18 -12.948 -4.407 -0.879 111 H ASP 19 H ASP 19 -12.267 -4.882 -4.808 112 HA ASP 19 HA ASP 19 -11.748 -7.545 -5.391 113 HB2 ASP 19 1HB ASP 19 -11.653 -5.244 -7.352 114 HB3 ASP 19 2HB ASP 19 -11.960 -6.937 -7.732 115 H THR 20 H THR 20 -9.704 -4.701 -5.999 116 HA THR 20 HA THR 20 -7.592 -5.951 -7.288 117 HB THR 20 HB THR 20 -7.415 -3.630 -5.356 118 HG1 THR 20 1HG THR 20 -8.839 -3.593 -7.378 119 HG21 THR 20 1HG2 THR 20 -5.230 -4.631 -5.858 120 HG22 THR 20 2HG2 THR 20 -5.387 -3.032 -6.583 121 HG23 THR 20 3HG2 THR 20 -5.556 -4.474 -7.583 122 H ILE 21 H ILE 21 -7.727 -5.134 -3.814 123 HA ILE 21 HA ILE 21 -5.428 -6.506 -3.055 124 HB ILE 21 HB ILE 21 -6.305 -6.478 -0.777 125 HG12 ILE 21 1HG1 ILE 21 -8.883 -5.446 -1.973 126 HG13 ILE 21 2HG1 ILE 21 -8.649 -7.100 -1.417 127 HG21 ILE 21 1HG2 ILE 21 -5.398 -4.414 -1.886 128 HG22 ILE 21 2HG2 ILE 21 -7.067 -3.914 -2.156 129 HG23 ILE 21 3HG2 ILE 21 -6.463 -4.121 -0.512 130 HD11 ILE 21 1HD1 ILE 21 -8.658 -4.584 0.217 131 HD12 ILE 21 2HD1 ILE 21 -9.762 -5.955 0.312 132 HD13 ILE 21 3HD1 ILE 21 -8.089 -6.133 0.838 133 H ALA 22 H ALA 22 -8.715 -7.651 -3.505 134 HA ALA 22 HA ALA 22 -8.546 -10.126 -2.237 135 HB1 ALA 22 1HB ALA 22 -10.590 -10.490 -3.088 136 HB2 ALA 22 2HB ALA 22 -10.478 -8.811 -3.620 137 HB3 ALA 22 3HB ALA 22 -10.081 -10.119 -4.736 138 H GLU 23 H GLU 23 -7.640 -9.185 -5.528 139 HA GLU 23 HA GLU 23 -6.670 -11.883 -6.072 140 HB2 GLU 23 1HB GLU 23 -6.733 -9.457 -7.874 141 HB3 GLU 23 2HB GLU 23 -6.335 -11.098 -8.362 142 HG2 GLU 23 1HG GLU 23 -8.964 -10.619 -7.069 143 HG3 GLU 23 2HG GLU 23 -8.734 -10.080 -8.732 144 H GLY 24 H GLY 24 -4.704 -12.343 -5.327 145 HA2 GLY 24 1HA GLY 24 -2.428 -12.223 -5.027 146 HA3 GLY 24 2HA GLY 24 -2.414 -10.930 -6.217 147 H ILE 25 H ILE 25 -0.634 -10.442 -4.475 148 HA ILE 25 HA ILE 25 -1.652 -9.124 -2.109 149 HB ILE 25 HB ILE 25 1.166 -9.267 -3.185 150 HG12 ILE 25 1HG1 ILE 25 -0.074 -10.801 -0.895 151 HG13 ILE 25 2HG1 ILE 25 0.098 -11.450 -2.521 152 HG21 ILE 25 1HG2 ILE 25 1.895 -8.433 -1.072 153 HG22 ILE 25 2HG2 ILE 25 0.667 -7.329 -1.688 154 HG23 ILE 25 3HG2 ILE 25 0.257 -8.487 -0.423 155 HD11 ILE 25 1HD1 ILE 25 2.365 -11.673 -2.337 156 HD12 ILE 25 2HD1 ILE 25 2.505 -10.386 -1.139 157 HD13 ILE 25 3HD1 ILE 25 1.868 -11.961 -0.670 158 H THR 26 H THR 26 -2.023 -7.008 -1.865 159 HA THR 26 HA THR 26 -0.988 -5.144 -3.886 160 HB THR 26 HB THR 26 -3.836 -5.195 -2.870 161 HG1 THR 26 1HG THR 26 -4.286 -6.151 -4.713 162 HG21 THR 26 1HG2 THR 26 -3.753 -2.984 -3.251 163 HG22 THR 26 2HG2 THR 26 -3.726 -3.417 -4.960 164 HG23 THR 26 3HG2 THR 26 -2.217 -3.099 -4.106 165 H PHE 27 H PHE 27 0.200 -3.666 -2.892 166 HA PHE 27 HA PHE 27 -0.245 -3.088 -0.074 167 HB2 PHE 27 1HB PHE 27 2.051 -3.468 -1.315 168 HB3 PHE 27 2HB PHE 27 1.890 -1.756 -1.690 169 HD1 PHE 27 1HD PHE 27 0.982 -3.641 1.386 170 HD2 PHE 27 2HD PHE 27 3.454 -0.664 -0.386 171 HE1 PHE 27 1HE PHE 27 1.885 -3.076 3.604 172 HE2 PHE 27 2HE PHE 27 4.362 -0.095 1.828 173 HZ PHE 27 HZ PHE 27 3.579 -1.302 3.827 174 H ILE 28 H ILE 28 -1.712 -1.590 0.397 175 HA ILE 28 HA ILE 28 -2.126 0.657 -1.431 176 HB ILE 28 HB ILE 28 -3.742 -0.134 0.995 177 HG12 ILE 28 1HG1 ILE 28 -4.485 -0.530 -1.902 178 HG13 ILE 28 2HG1 ILE 28 -3.689 -1.779 -0.952 179 HG21 ILE 28 1HG2 ILE 28 -3.783 2.282 0.200 180 HG22 ILE 28 2HG2 ILE 28 -4.580 1.676 -1.251 181 HG23 ILE 28 3HG2 ILE 28 -5.338 1.459 0.327 182 HD11 ILE 28 1HD1 ILE 28 -5.560 -2.292 0.171 183 HD12 ILE 28 2HD1 ILE 28 -6.094 -0.614 0.265 184 HD13 ILE 28 3HD1 ILE 28 -6.353 -1.541 -1.212 185 H LYS 29 H LYS 29 -1.967 2.797 -0.795 186 HA LYS 29 HA LYS 29 -0.724 3.288 1.830 187 HB2 LYS 29 1HB LYS 29 0.956 3.381 0.007 188 HB3 LYS 29 2HB LYS 29 0.014 4.647 -0.769 189 HG2 LYS 29 1HG LYS 29 0.802 5.102 2.044 190 HG3 LYS 29 2HG LYS 29 2.082 5.151 0.830 191 HD2 LYS 29 1HD LYS 29 -0.468 6.765 0.765 192 HD3 LYS 29 2HD LYS 29 1.121 7.372 1.236 193 HE2 LYS 29 1HE LYS 29 1.776 6.383 -1.138 194 HE3 LYS 29 2HE LYS 29 0.064 6.669 -1.450 195 HZ1 LYS 29 1HZ LYS 29 0.522 8.988 -0.532 196 HZ2 LYS 29 2HZ LYS 29 1.103 8.635 -2.081 197 HZ3 LYS 29 3HZ LYS 29 2.160 8.632 -0.760 198 H PHE 30 H PHE 30 -2.322 4.259 2.929 199 HA PHE 30 HA PHE 30 -4.099 6.145 1.634 200 HB2 PHE 30 1HB PHE 30 -3.961 5.414 4.564 201 HB3 PHE 30 2HB PHE 30 -5.300 6.190 3.724 202 HD1 PHE 30 1HD PHE 30 -3.473 3.040 4.201 203 HD2 PHE 30 2HD PHE 30 -6.863 4.921 2.445 204 HE1 PHE 30 1HE PHE 30 -4.462 0.832 3.754 205 HE2 PHE 30 2HE PHE 30 -7.858 2.717 1.996 206 HZ PHE 30 HZ PHE 30 -6.658 0.668 2.650 207 H TYR 31 H TYR 31 -3.035 7.998 1.133 208 HA TYR 31 HA TYR 31 -1.624 9.383 3.314 209 HB2 TYR 31 1HB TYR 31 -0.257 10.447 1.722 210 HB3 TYR 31 2HB TYR 31 -0.384 8.788 1.147 211 HD1 TYR 31 1HD TYR 31 -1.776 8.262 -0.820 212 HD2 TYR 31 2HD TYR 31 -1.181 12.273 0.469 213 HE1 TYR 31 1HE TYR 31 -2.578 9.075 -2.998 214 HE2 TYR 31 2HE TYR 31 -1.982 13.096 -1.704 215 HH TYR 31 HH TYR 31 -3.724 11.448 -3.768 216 H ALA 32 H ALA 32 -1.623 11.903 2.742 217 HA ALA 32 HA ALA 32 -4.363 12.713 2.060 218 HB1 ALA 32 1HB ALA 32 -4.172 14.401 3.961 219 HB2 ALA 32 2HB ALA 32 -4.457 12.716 4.404 220 HB3 ALA 32 3HB ALA 32 -2.841 13.405 4.554 221 HA PRO 33 HA PRO 33 -2.168 15.611 -0.468 222 HB2 PRO 33 1HB PRO 33 -4.307 17.123 -1.183 223 HB3 PRO 33 2HB PRO 33 -3.990 15.524 -1.865 224 HG2 PRO 33 1HG PRO 33 -5.873 16.309 0.326 225 HG3 PRO 33 2HG PRO 33 -6.132 15.188 -1.024 226 HD2 PRO 33 1HD PRO 33 -5.543 14.342 1.480 227 HD3 PRO 33 2HD PRO 33 -5.018 13.466 0.028 228 H TRP 34 H TRP 34 -3.358 16.161 2.552 229 HA TRP 34 HA TRP 34 -2.655 19.023 2.474 230 HB2 TRP 34 1HB TRP 34 -4.015 19.188 4.594 231 HB3 TRP 34 2HB TRP 34 -4.941 18.818 3.142 232 HD1 TRP 34 HD TRP 34 -6.443 16.723 3.227 233 HE1 TRP 34 1HE TRP 34 -6.791 14.799 4.902 234 HE3 TRP 34 3HE TRP 34 -2.564 17.706 6.409 235 HZ2 TRP 34 2HZ TRP 34 -5.582 13.828 7.261 236 HZ3 TRP 34 3HZ TRP 34 -2.229 16.232 8.351 237 HH2 TRP 34 HH TRP 34 -3.708 14.334 8.767 238 H CYS 35 H CYS 35 -1.819 15.950 3.670 239 HA CYS 35 HA CYS 35 -0.499 16.738 6.062 240 HB2 CYS 35 1HB CYS 35 -1.277 14.388 5.385 241 HB3 CYS 35 2HB CYS 35 0.197 14.305 4.427 242 HG CYS 35 HG CYS 35 0.828 12.902 6.660 243 H GLY 36 H GLY 36 1.890 16.437 6.377 244 HA2 GLY 36 1HA GLY 36 3.290 17.828 4.201 245 HA3 GLY 36 2HA GLY 36 3.794 17.786 5.884 246 H HIS 37 H HIS 37 3.566 14.991 6.292 247 HA HIS 37 HA HIS 37 6.093 14.149 5.355 248 HB2 HIS 37 1HB HIS 37 3.875 12.436 6.493 249 HB3 HIS 37 2HB HIS 37 5.584 12.019 6.415 250 HD1 HIS 37 1HD HIS 37 7.083 14.104 7.708 251 HD2 HIS 37 2HD HIS 37 3.233 13.211 8.987 252 HE1 HIS 37 1HE HIS 37 6.935 14.985 10.058 253 HE2 HIS 37 2HE HIS 37 4.625 14.358 10.841 254 H CYS 38 H CYS 38 2.807 13.544 4.255 255 HA CYS 38 HA CYS 38 3.192 11.431 2.527 256 HB2 CYS 38 1HB CYS 38 1.220 12.168 1.358 257 HB3 CYS 38 2HB CYS 38 1.000 12.499 3.072 258 HG CYS 38 HG CYS 38 0.637 14.535 0.595 259 H LYS 39 H LYS 39 4.077 14.788 2.131 260 HA LYS 39 HA LYS 39 4.542 14.779 -0.645 261 HB2 LYS 39 1HB LYS 39 5.351 16.488 1.648 262 HB3 LYS 39 2HB LYS 39 6.293 16.635 0.169 263 HG2 LYS 39 1HG LYS 39 4.569 17.552 -1.005 264 HG3 LYS 39 2HG LYS 39 3.334 16.733 -0.049 265 HD2 LYS 39 1HD LYS 39 4.221 18.263 1.874 266 HD3 LYS 39 2HD LYS 39 4.844 19.243 0.545 267 HE2 LYS 39 1HE LYS 39 1.971 18.389 0.892 268 HE3 LYS 39 2HE LYS 39 2.617 19.978 1.297 269 HZ1 LYS 39 1HZ LYS 39 1.487 19.527 -1.003 270 HZ2 LYS 39 2HZ LYS 39 3.025 18.961 -1.420 271 HZ3 LYS 39 3HZ LYS 39 2.827 20.552 -0.885 272 H THR 40 H THR 40 6.654 14.064 2.105 273 HA THR 40 HA THR 40 8.998 13.659 0.548 274 HB THR 40 HB THR 40 8.840 14.119 3.077 275 HG1 THR 40 1HG THR 40 10.590 11.980 2.545 276 HG21 THR 40 1HG2 THR 40 8.045 12.544 4.440 277 HG22 THR 40 2HG2 THR 40 9.131 11.336 3.753 278 HG23 THR 40 3HG2 THR 40 7.555 11.627 3.017 279 H LEU 41 H LEU 41 6.253 11.712 1.265 280 HA LEU 41 HA LEU 41 7.615 9.232 0.558 281 HB2 LEU 41 1HB LEU 41 5.971 9.340 2.428 282 HB3 LEU 41 2HB LEU 41 4.714 9.677 1.240 283 HG LEU 41 HG LEU 41 5.333 7.443 0.185 284 HD11 LEU 41 1HD1 LEU 41 6.595 5.891 1.360 285 HD12 LEU 41 2HD1 LEU 41 6.480 6.790 2.873 286 HD13 LEU 41 3HD1 LEU 41 7.508 7.385 1.569 287 HD21 LEU 41 1HD2 LEU 41 3.454 8.107 1.975 288 HD22 LEU 41 2HD2 LEU 41 4.325 6.891 2.908 289 HD23 LEU 41 3HD2 LEU 41 3.642 6.476 1.335 290 H ALA 42 H ALA 42 5.494 11.609 -0.812 291 HA ALA 42 HA ALA 42 4.084 10.522 -2.777 292 HB1 ALA 42 1HB ALA 42 3.986 12.651 -3.385 293 HB2 ALA 42 2HB ALA 42 5.446 13.009 -2.460 294 HB3 ALA 42 3HB ALA 42 5.572 12.493 -4.142 295 HA PRO 43 HA PRO 43 7.828 9.742 -5.721 296 HB2 PRO 43 1HB PRO 43 10.321 10.067 -4.697 297 HB3 PRO 43 2HB PRO 43 9.419 11.379 -5.465 298 HG2 PRO 43 1HG PRO 43 9.765 10.769 -2.555 299 HG3 PRO 43 2HG PRO 43 9.833 12.334 -3.385 300 HD2 PRO 43 1HD PRO 43 7.645 11.499 -2.024 301 HD3 PRO 43 2HD PRO 43 7.537 12.533 -3.463 302 H THR 44 H THR 44 8.622 9.023 -2.331 303 HA THR 44 HA THR 44 10.011 6.661 -2.655 304 HB THR 44 HB THR 44 8.054 7.315 -0.442 305 HG1 THR 44 1HG THR 44 9.760 8.851 -0.698 306 HG21 THR 44 1HG2 THR 44 10.443 5.550 -0.116 307 HG22 THR 44 2HG2 THR 44 8.962 4.881 -0.802 308 HG23 THR 44 3HG2 THR 44 8.943 5.594 0.811 309 H TRP 45 H TRP 45 6.496 7.048 -2.231 310 HA TRP 45 HA TRP 45 5.756 4.387 -2.335 311 HB2 TRP 45 1HB TRP 45 4.278 6.398 -1.867 312 HB3 TRP 45 2HB TRP 45 4.168 6.614 -3.611 313 HD1 TRP 45 HD TRP 45 1.957 5.689 -4.476 314 HE1 TRP 45 1HE TRP 45 0.453 3.671 -3.940 315 HE3 TRP 45 3HE TRP 45 4.670 3.650 -0.653 316 HZ2 TRP 45 2HZ TRP 45 0.420 1.502 -2.134 317 HZ3 TRP 45 3HZ TRP 45 3.834 1.603 0.425 318 HH2 TRP 45 HH TRP 45 1.752 0.553 -0.301 319 H GLU 46 H GLU 46 6.320 6.638 -5.009 320 HA GLU 46 HA GLU 46 5.496 4.962 -7.098 321 HB2 GLU 46 1HB GLU 46 7.384 7.289 -6.930 322 HB3 GLU 46 2HB GLU 46 7.215 6.392 -8.432 323 HG2 GLU 46 1HG GLU 46 4.906 6.938 -8.592 324 HG3 GLU 46 2HG GLU 46 4.898 7.623 -6.969 325 H GLU 47 H GLU 47 8.733 5.475 -5.714 326 HA GLU 47 HA GLU 47 10.234 3.853 -7.338 327 HB2 GLU 47 1HB GLU 47 10.459 4.277 -4.357 328 HB3 GLU 47 2HB GLU 47 11.683 3.463 -5.319 329 HG2 GLU 47 1HG GLU 47 10.762 6.298 -5.729 330 HG3 GLU 47 2HG GLU 47 12.227 5.813 -4.876 331 H LEU 48 H LEU 48 8.303 2.890 -4.526 332 HA LEU 48 HA LEU 48 9.013 0.207 -4.404 333 HB2 LEU 48 1HB LEU 48 7.577 1.548 -2.799 334 HB3 LEU 48 2HB LEU 48 6.234 1.237 -3.897 335 HG LEU 48 HG LEU 48 6.599 -1.207 -3.530 336 HD11 LEU 48 1HD1 LEU 48 8.078 -0.739 -1.045 337 HD12 LEU 48 2HD1 LEU 48 9.012 -0.475 -2.516 338 HD13 LEU 48 3HD1 LEU 48 8.230 -2.031 -2.235 339 HD21 LEU 48 1HD2 LEU 48 6.029 0.429 -1.060 340 HD22 LEU 48 2HD2 LEU 48 5.545 -1.245 -1.337 341 HD23 LEU 48 3HD2 LEU 48 4.868 0.045 -2.332 342 H SER 49 H SER 49 6.214 1.636 -6.091 343 HA SER 49 HA SER 49 5.092 -0.551 -7.235 344 HB2 SER 49 1HB SER 49 4.181 0.860 -8.908 345 HB3 SER 49 2HB SER 49 4.428 1.905 -7.509 346 HG SER 49 HG SER 49 5.553 3.085 -8.824 347 H LYS 50 H LYS 50 7.991 1.129 -8.356 348 HA LYS 50 HA LYS 50 8.342 -0.443 -10.698 349 HB2 LYS 50 1HB LYS 50 10.289 1.244 -9.117 350 HB3 LYS 50 2HB LYS 50 10.662 0.502 -10.668 351 HG2 LYS 50 1HG LYS 50 8.968 1.818 -11.760 352 HG3 LYS 50 2HG LYS 50 8.443 2.486 -10.212 353 HD2 LYS 50 1HD LYS 50 10.861 3.322 -9.983 354 HD3 LYS 50 2HD LYS 50 10.998 2.985 -11.710 355 HE2 LYS 50 1HE LYS 50 9.219 4.516 -12.209 356 HE3 LYS 50 2HE LYS 50 8.868 4.739 -10.495 357 HZ1 LYS 50 1HZ LYS 50 11.573 5.335 -10.955 358 HZ2 LYS 50 2HZ LYS 50 10.342 6.369 -10.430 359 HZ3 LYS 50 3HZ LYS 50 10.644 6.187 -12.084 360 H LYS 51 H LYS 51 9.558 -0.664 -7.394 361 HA LYS 51 HA LYS 51 11.517 -2.556 -7.606 362 HB2 LYS 51 1HB LYS 51 9.373 -2.403 -5.479 363 HB3 LYS 51 2HB LYS 51 10.882 -3.296 -5.329 364 HG2 LYS 51 1HG LYS 51 10.837 -0.346 -5.871 365 HG3 LYS 51 2HG LYS 51 10.753 -1.002 -4.235 366 HD2 LYS 51 1HD LYS 51 12.905 -1.945 -6.076 367 HD3 LYS 51 2HD LYS 51 13.062 -0.364 -5.305 368 HE2 LYS 51 1HE LYS 51 12.323 -2.698 -3.613 369 HE3 LYS 51 2HE LYS 51 13.990 -2.566 -4.171 370 HZ1 LYS 51 1HZ LYS 51 14.389 -0.994 -2.680 371 HZ2 LYS 51 2HZ LYS 51 12.866 -1.293 -2.006 372 HZ3 LYS 51 3HZ LYS 51 13.053 -0.079 -3.170 373 H GLU 52 H GLU 52 11.273 -4.915 -6.771 374 HA GLU 52 HA GLU 52 8.910 -6.226 -7.889 375 HB2 GLU 52 1HB GLU 52 11.640 -7.257 -8.605 376 HB3 GLU 52 2HB GLU 52 10.090 -7.640 -9.343 377 HG2 GLU 52 1HG GLU 52 9.980 -5.486 -10.380 378 HG3 GLU 52 2HG GLU 52 11.418 -4.947 -9.514 379 H PHE 53 H PHE 53 8.316 -8.042 -6.820 380 HA PHE 53 HA PHE 53 9.965 -8.799 -4.514 381 HB2 PHE 53 1HB PHE 53 7.079 -9.547 -4.971 382 HB3 PHE 53 2HB PHE 53 7.979 -9.578 -3.459 383 HD1 PHE 53 1HD PHE 53 6.711 -7.259 -6.069 384 HD2 PHE 53 2HD PHE 53 7.896 -7.766 -2.013 385 HE1 PHE 53 1HE PHE 53 5.915 -4.989 -5.555 386 HE2 PHE 53 2HE PHE 53 7.101 -5.498 -1.492 387 HZ PHE 53 HZ PHE 53 6.108 -4.105 -3.265 388 HA PRO 54 HA PRO 54 10.782 -12.401 -7.151 389 HB2 PRO 54 1HB PRO 54 13.017 -13.141 -5.799 390 HB3 PRO 54 2HB PRO 54 13.017 -11.878 -7.036 391 HG2 PRO 54 1HG PRO 54 12.935 -11.610 -4.055 392 HG3 PRO 54 2HG PRO 54 13.878 -10.683 -5.237 393 HD2 PRO 54 1HD PRO 54 11.590 -9.741 -4.139 394 HD3 PRO 54 2HD PRO 54 12.094 -9.334 -5.792 395 H GLY 55 H GLY 55 9.459 -14.067 -6.748 396 HA2 GLY 55 1HA GLY 55 9.196 -16.196 -5.662 397 HA3 GLY 55 2HA GLY 55 9.751 -15.456 -4.167 398 H LEU 56 H LEU 56 8.128 -13.144 -4.227 399 HA LEU 56 HA LEU 56 5.696 -14.258 -3.198 400 HB2 LEU 56 1HB LEU 56 6.505 -11.387 -3.631 401 HB3 LEU 56 2HB LEU 56 5.092 -11.924 -2.725 402 HG LEU 56 HG LEU 56 7.988 -12.317 -1.982 403 HD11 LEU 56 1HD1 LEU 56 6.615 -11.122 0.095 404 HD12 LEU 56 2HD1 LEU 56 5.961 -10.342 -1.345 405 HD13 LEU 56 3HD1 LEU 56 7.699 -10.320 -1.043 406 HD21 LEU 56 1HD2 LEU 56 6.966 -14.295 -1.270 407 HD22 LEU 56 2HD2 LEU 56 5.468 -13.472 -0.833 408 HD23 LEU 56 3HD2 LEU 56 6.917 -13.246 0.147 409 H ALA 57 H ALA 57 3.554 -13.684 -3.889 410 HA ALA 57 HA ALA 57 3.115 -14.033 -6.636 411 HB1 ALA 57 1HB ALA 57 0.822 -13.856 -6.171 412 HB2 ALA 57 2HB ALA 57 1.533 -14.529 -4.703 413 HB3 ALA 57 3HB ALA 57 1.099 -12.820 -4.770 414 H GLY 58 H GLY 58 2.012 -12.570 -8.125 415 HA2 GLY 58 1HA GLY 58 3.347 -10.245 -8.656 416 HA3 GLY 58 2HA GLY 58 1.698 -10.548 -9.183 417 H VAL 59 H VAL 59 3.729 -8.921 -6.895 418 HA VAL 59 HA VAL 59 1.572 -7.918 -5.279 419 HB VAL 59 HB VAL 59 4.445 -6.996 -5.436 420 HG11 VAL 59 1HG1 VAL 59 2.966 -6.590 -2.950 421 HG12 VAL 59 2HG1 VAL 59 4.020 -5.488 -3.837 422 HG13 VAL 59 3HG1 VAL 59 2.331 -5.669 -4.313 423 HG21 VAL 59 1HG2 VAL 59 4.962 -8.862 -4.348 424 HG22 VAL 59 2HG2 VAL 59 3.907 -8.358 -3.029 425 HG23 VAL 59 3HG2 VAL 59 3.270 -9.360 -4.333 426 H LYS 60 H LYS 60 0.570 -5.967 -5.378 427 HA LYS 60 HA LYS 60 1.278 -4.225 -7.650 428 HB2 LYS 60 1HB LYS 60 -1.427 -4.914 -6.504 429 HB3 LYS 60 2HB LYS 60 -1.171 -3.565 -7.603 430 HG2 LYS 60 1HG LYS 60 -0.521 -5.013 -9.366 431 HG3 LYS 60 2HG LYS 60 -0.435 -6.401 -8.278 432 HD2 LYS 60 1HD LYS 60 -3.001 -4.897 -8.645 433 HD3 LYS 60 2HD LYS 60 -2.506 -6.131 -9.805 434 HE2 LYS 60 1HE LYS 60 -2.138 -7.543 -7.602 435 HE3 LYS 60 2HE LYS 60 -3.320 -6.406 -6.955 436 HZ1 LYS 60 1HZ LYS 60 -4.271 -7.265 -9.422 437 HZ2 LYS 60 2HZ LYS 60 -4.897 -7.620 -7.892 438 HZ3 LYS 60 3HZ LYS 60 -3.756 -8.650 -8.598 439 H ILE 61 H ILE 61 1.136 -1.985 -7.358 440 HA ILE 61 HA ILE 61 0.963 -1.116 -4.546 441 HB ILE 61 HB ILE 61 2.706 0.065 -6.712 442 HG12 ILE 61 1HG1 ILE 61 3.632 -2.044 -6.039 443 HG13 ILE 61 2HG1 ILE 61 4.568 -0.782 -5.247 444 HG21 ILE 61 1HG2 ILE 61 3.599 1.499 -5.001 445 HG22 ILE 61 2HG2 ILE 61 1.846 1.682 -5.040 446 HG23 ILE 61 3HG2 ILE 61 2.604 0.719 -3.771 447 HD11 ILE 61 1HD1 ILE 61 2.591 -2.682 -4.063 448 HD12 ILE 61 2HD1 ILE 61 4.258 -2.359 -3.584 449 HD13 ILE 61 3HD1 ILE 61 2.998 -1.171 -3.252 450 H ALA 62 H ALA 62 -0.801 0.053 -4.213 451 HA ALA 62 HA ALA 62 -1.662 1.928 -6.319 452 HB1 ALA 62 1HB ALA 62 -3.631 0.779 -4.395 453 HB2 ALA 62 2HB ALA 62 -3.882 1.400 -6.027 454 HB3 ALA 62 3HB ALA 62 -3.121 -0.173 -5.789 455 H GLU 63 H GLU 63 -3.411 3.487 -5.168 456 HA GLU 63 HA GLU 63 -2.360 4.367 -2.581 457 HB2 GLU 63 1HB GLU 63 -1.749 6.467 -3.255 458 HB3 GLU 63 2HB GLU 63 -1.375 5.575 -4.723 459 HG2 GLU 63 1HG GLU 63 -3.703 6.192 -5.515 460 HG3 GLU 63 2HG GLU 63 -3.748 7.322 -4.164 461 H VAL 64 H VAL 64 -3.784 5.786 -1.419 462 HA VAL 64 HA VAL 64 -6.510 6.016 -2.457 463 HB VAL 64 HB VAL 64 -5.806 4.703 0.169 464 HG11 VAL 64 1HG1 VAL 64 -7.630 5.998 0.764 465 HG12 VAL 64 2HG1 VAL 64 -8.370 5.875 -0.833 466 HG13 VAL 64 3HG1 VAL 64 -8.389 4.489 0.260 467 HG21 VAL 64 1HG2 VAL 64 -6.437 2.732 -0.737 468 HG22 VAL 64 2HG2 VAL 64 -7.685 3.469 -1.742 469 HG23 VAL 64 3HG2 VAL 64 -5.996 3.533 -2.246 470 H ASP 65 H ASP 65 -7.201 8.023 -2.171 471 HA ASP 65 HA ASP 65 -5.791 9.823 -0.406 472 HB2 ASP 65 1HB ASP 65 -8.143 10.248 -2.260 473 HB3 ASP 65 2HB ASP 65 -7.367 11.529 -1.334 474 H CYS 66 H CYS 66 -6.362 10.363 1.595 475 HA CYS 66 HA CYS 66 -8.786 9.241 2.725 476 HB2 CYS 66 1HB CYS 66 -6.369 10.612 3.869 477 HB3 CYS 66 2HB CYS 66 -7.808 10.356 4.850 478 H THR 67 H THR 67 -8.973 11.433 0.784 479 HA THR 67 HA THR 67 -10.329 13.417 2.493 480 HB THR 67 HB THR 67 -9.912 15.054 0.599 481 HG1 THR 67 1HG THR 67 -8.478 14.512 -0.953 482 HG21 THR 67 1HG2 THR 67 -7.824 13.960 2.426 483 HG22 THR 67 2HG2 THR 67 -8.613 15.538 2.432 484 HG23 THR 67 3HG2 THR 67 -7.358 15.183 1.246 485 H ALA 68 H ALA 68 -10.360 11.594 -0.510 486 HA ALA 68 HA ALA 68 -13.099 12.495 -1.054 487 HB1 ALA 68 1HB ALA 68 -12.410 12.542 -3.162 488 HB2 ALA 68 2HB ALA 68 -10.865 11.817 -2.716 489 HB3 ALA 68 3HB ALA 68 -12.241 10.787 -3.111 490 H GLU 69 H GLU 69 -11.168 9.587 -0.509 491 HA GLU 69 HA GLU 69 -13.617 7.975 -0.454 492 HB2 GLU 69 1HB GLU 69 -10.702 7.191 -0.560 493 HB3 GLU 69 2HB GLU 69 -12.017 6.037 -0.389 494 HG2 GLU 69 1HG GLU 69 -11.421 7.826 -2.724 495 HG3 GLU 69 2HG GLU 69 -11.414 6.064 -2.672 496 H ARG 70 H ARG 70 -13.454 9.666 1.660 497 HA ARG 70 HA ARG 70 -12.090 8.923 3.929 498 HB2 ARG 70 1HB ARG 70 -14.935 9.934 3.747 499 HB3 ARG 70 2HB ARG 70 -13.955 9.927 5.208 500 HG2 ARG 70 1HG ARG 70 -12.930 11.315 2.779 501 HG3 ARG 70 2HG ARG 70 -14.178 12.087 3.760 502 HD2 ARG 70 1HD ARG 70 -12.651 11.603 5.754 503 HD3 ARG 70 2HD ARG 70 -11.398 11.277 4.558 504 HE ARG 70 HE ARG 70 -11.211 13.527 4.200 505 HH11 ARG 70 2HH1 ARG 70 -14.215 12.887 5.839 506 HH12 ARG 70 1HH1 ARG 70 -14.583 14.560 6.094 507 HH21 ARG 70 2HH2 ARG 70 -11.686 15.734 4.530 508 HH22 ARG 70 1HH2 ARG 70 -13.145 16.179 5.348 509 H ASN 71 H ASN 71 -15.086 7.564 2.638 510 HA ASN 71 HA ASN 71 -15.966 5.974 4.658 511 HB2 ASN 71 1HB ASN 71 -15.935 5.673 1.697 512 HB3 ASN 71 2HB ASN 71 -16.378 4.259 2.650 513 HD21 ASN 71 1HD2 ASN 71 -17.449 7.119 1.271 514 HD22 ASN 71 2HD2 ASN 71 -18.998 7.207 2.032 515 H ILE 72 H ILE 72 -13.552 4.952 2.238 516 HA ILE 72 HA ILE 72 -12.930 2.507 3.483 517 HB ILE 72 HB ILE 72 -11.182 4.174 1.671 518 HG12 ILE 72 1HG1 ILE 72 -13.026 1.875 0.990 519 HG13 ILE 72 2HG1 ILE 72 -13.414 3.572 0.730 520 HG21 ILE 72 1HG2 ILE 72 -10.213 1.878 1.138 521 HG22 ILE 72 2HG2 ILE 72 -9.776 2.596 2.688 522 HG23 ILE 72 3HG2 ILE 72 -11.003 1.331 2.617 523 HD11 ILE 72 1HD1 ILE 72 -12.649 3.088 -1.334 524 HD12 ILE 72 2HD1 ILE 72 -11.098 3.465 -0.583 525 HD13 ILE 72 3HD1 ILE 72 -11.605 1.786 -0.764 526 H CYS 73 H CYS 73 -10.780 5.343 3.258 527 HA CYS 73 HA CYS 73 -8.845 4.711 5.004 528 HB2 CYS 73 1HB CYS 73 -10.195 7.298 4.397 529 HB3 CYS 73 2HB CYS 73 -9.066 7.258 5.747 530 H SER 74 H SER 74 -11.831 6.366 6.044 531 HA SER 74 HA SER 74 -11.454 6.414 8.743 532 HB2 SER 74 1HB SER 74 -13.480 7.198 7.313 533 HB3 SER 74 2HB SER 74 -14.134 5.596 7.654 534 HG SER 74 HG SER 74 -14.055 7.762 9.241 535 H LYS 75 H LYS 75 -12.954 3.733 6.938 536 HA LYS 75 HA LYS 75 -13.442 1.985 8.996 537 HB2 LYS 75 1HB LYS 75 -14.187 1.441 6.795 538 HB3 LYS 75 2HB LYS 75 -12.542 1.442 6.168 539 HG2 LYS 75 1HG LYS 75 -13.202 -0.477 8.334 540 HG3 LYS 75 2HG LYS 75 -13.830 -0.795 6.715 541 HD2 LYS 75 1HD LYS 75 -11.717 -1.042 5.805 542 HD3 LYS 75 2HD LYS 75 -10.945 -0.100 7.083 543 HE2 LYS 75 1HE LYS 75 -10.363 -2.416 7.361 544 HE3 LYS 75 2HE LYS 75 -11.444 -1.940 8.669 545 HZ1 LYS 75 1HZ LYS 75 -12.853 -3.520 8.074 546 HZ2 LYS 75 2HZ LYS 75 -11.760 -4.050 6.898 547 HZ3 LYS 75 3HZ LYS 75 -12.952 -2.919 6.495 548 H TYR 76 H TYR 76 -10.382 2.766 7.492 549 HA TYR 76 HA TYR 76 -9.007 0.690 9.018 550 HB2 TYR 76 1HB TYR 76 -8.034 2.625 6.909 551 HB3 TYR 76 2HB TYR 76 -6.991 1.482 7.748 552 HD1 TYR 76 1HD TYR 76 -7.954 -1.033 7.696 553 HD2 TYR 76 2HD TYR 76 -8.806 1.998 4.833 554 HE1 TYR 76 1HE TYR 76 -8.511 -2.762 6.040 555 HE2 TYR 76 2HE TYR 76 -9.366 0.277 3.169 556 HH TYR 76 HH TYR 76 -8.652 -2.278 2.853 557 H SER 77 H SER 77 -10.258 3.068 10.271 558 HA SER 77 HA SER 77 -9.725 4.879 11.616 559 HB2 SER 77 1HB SER 77 -9.489 2.685 12.927 560 HB3 SER 77 2HB SER 77 -7.748 2.920 12.778 561 HG SER 77 HG SER 77 -9.636 4.418 14.207 562 H VAL 78 H VAL 78 -8.311 5.151 9.234 563 HA VAL 78 HA VAL 78 -5.525 5.578 9.714 564 HB VAL 78 HB VAL 78 -7.264 6.597 7.463 565 HG11 VAL 78 1HG1 VAL 78 -5.480 7.608 6.591 566 HG12 VAL 78 2HG1 VAL 78 -4.703 7.394 8.161 567 HG13 VAL 78 3HG1 VAL 78 -4.452 6.204 6.883 568 HG21 VAL 78 1HG2 VAL 78 -5.346 4.312 7.253 569 HG22 VAL 78 2HG2 VAL 78 -6.968 4.048 7.893 570 HG23 VAL 78 3HG2 VAL 78 -6.757 4.686 6.263 571 H ARG 79 H ARG 79 -5.685 6.908 11.638 572 HA ARG 79 HA ARG 79 -6.788 9.566 11.393 573 HB2 ARG 79 1HB ARG 79 -5.122 8.344 13.601 574 HB3 ARG 79 2HB ARG 79 -5.975 9.879 13.687 575 HG2 ARG 79 1HG ARG 79 -7.469 7.363 13.087 576 HG3 ARG 79 2HG ARG 79 -7.028 7.770 14.747 577 HD2 ARG 79 1HD ARG 79 -8.599 9.536 12.871 578 HD3 ARG 79 2HD ARG 79 -9.290 8.543 14.155 579 HE ARG 79 HE ARG 79 -8.434 10.025 15.740 580 HH11 ARG 79 2HH1 ARG 79 -7.510 10.931 12.509 581 HH12 ARG 79 1HH1 ARG 79 -7.008 12.527 12.960 582 HH21 ARG 79 2HH2 ARG 79 -7.775 12.123 16.347 583 HH22 ARG 79 1HH2 ARG 79 -7.158 13.203 15.144 584 H GLY 80 H GLY 80 -3.573 8.087 11.546 585 HA2 GLY 80 1HA GLY 80 -2.355 10.715 11.058 586 HA3 GLY 80 2HA GLY 80 -1.503 9.267 11.573 587 H TYR 81 H TYR 81 -0.254 10.474 9.655 588 HA TYR 81 HA TYR 81 -0.440 8.668 7.436 589 HB2 TYR 81 1HB TYR 81 -0.672 11.523 6.598 590 HB3 TYR 81 2HB TYR 81 -1.161 10.061 5.747 591 HD1 TYR 81 2HD TYR 81 -2.060 12.205 8.655 592 HD2 TYR 81 1HD TYR 81 -3.397 9.390 5.757 593 HE1 TYR 81 2HE TYR 81 -4.381 12.563 9.386 594 HE2 TYR 81 1HE TYR 81 -5.721 9.741 6.481 595 HH TYR 81 HH TYR 81 -7.083 10.871 7.819 596 HA PRO 82 HA PRO 82 0.340 8.874 5.206 597 HB2 PRO 82 1HB PRO 82 2.264 7.177 4.316 598 HB3 PRO 82 2HB PRO 82 2.142 8.857 3.780 599 HG2 PRO 82 1HG PRO 82 3.937 7.656 5.853 600 HG3 PRO 82 2HG PRO 82 4.318 8.849 4.598 601 HD2 PRO 82 1HD PRO 82 3.871 9.539 7.179 602 HD3 PRO 82 2HD PRO 82 3.442 10.598 5.819 603 H THR 83 H THR 83 -0.344 6.641 4.891 604 HA THR 83 HA THR 83 0.199 4.897 7.199 605 HB THR 83 HB THR 83 -2.531 5.244 5.949 606 HG1 THR 83 1HG THR 83 -2.748 6.126 8.312 607 HG21 THR 83 1HG2 THR 83 -2.612 4.187 8.574 608 HG22 THR 83 2HG2 THR 83 -1.401 3.272 7.676 609 HG23 THR 83 3HG2 THR 83 -3.051 3.389 7.065 610 H LEU 84 H LEU 84 0.658 2.842 6.701 611 HA LEU 84 HA LEU 84 0.132 1.945 3.944 612 HB2 LEU 84 1HB LEU 84 2.366 0.962 5.698 613 HB3 LEU 84 2HB LEU 84 2.150 0.703 3.968 614 HG LEU 84 HG LEU 84 2.873 3.306 5.311 615 HD11 LEU 84 1HD1 LEU 84 4.701 1.694 5.260 616 HD12 LEU 84 2HD1 LEU 84 5.002 3.032 4.151 617 HD13 LEU 84 3HD1 LEU 84 4.467 1.472 3.525 618 HD21 LEU 84 1HD2 LEU 84 1.629 3.969 3.466 619 HD22 LEU 84 2HD2 LEU 84 2.170 2.607 2.485 620 HD23 LEU 84 3HD2 LEU 84 3.277 3.935 2.839 621 H LEU 85 H LEU 85 -0.583 -0.154 3.618 622 HA LEU 85 HA LEU 85 -0.936 -1.944 5.861 623 HB2 LEU 85 1HB LEU 85 -3.275 -0.692 4.439 624 HB3 LEU 85 2HB LEU 85 -3.399 -2.164 5.399 625 HG LEU 85 HG LEU 85 -2.524 0.514 6.478 626 HD11 LEU 85 1HD1 LEU 85 -4.882 0.024 7.667 627 HD12 LEU 85 2HD1 LEU 85 -5.183 -0.698 6.087 628 HD13 LEU 85 3HD1 LEU 85 -4.709 0.996 6.206 629 HD21 LEU 85 1HD2 LEU 85 -3.489 -1.136 8.506 630 HD22 LEU 85 2HD2 LEU 85 -1.809 -0.689 8.205 631 HD23 LEU 85 3HD2 LEU 85 -2.464 -2.177 7.518 632 H LEU 86 H LEU 86 -0.560 -3.936 5.162 633 HA LEU 86 HA LEU 86 -0.584 -4.475 2.304 634 HB2 LEU 86 1HB LEU 86 1.358 -5.146 3.608 635 HB3 LEU 86 2HB LEU 86 0.338 -6.147 4.638 636 HG LEU 86 HG LEU 86 -0.201 -7.495 2.559 637 HD11 LEU 86 1HD1 LEU 86 1.648 -5.510 1.453 638 HD12 LEU 86 2HD1 LEU 86 0.430 -6.501 0.652 639 HD13 LEU 86 3HD1 LEU 86 2.015 -7.180 1.020 640 HD21 LEU 86 1HD2 LEU 86 2.723 -7.633 3.124 641 HD22 LEU 86 2HD2 LEU 86 1.540 -8.933 2.978 642 HD23 LEU 86 3HD2 LEU 86 1.577 -7.931 4.430 643 H PHE 87 H PHE 87 -1.706 -6.204 1.348 644 HA PHE 87 HA PHE 87 -3.831 -7.425 2.963 645 HB2 PHE 87 1HB PHE 87 -4.169 -6.004 0.321 646 HB3 PHE 87 2HB PHE 87 -5.374 -7.105 0.980 647 HD1 PHE 87 2HD PHE 87 -6.660 -6.508 2.954 648 HD2 PHE 87 1HD PHE 87 -3.818 -3.824 1.267 649 HE1 PHE 87 2HE PHE 87 -7.636 -4.663 4.254 650 HE2 PHE 87 1HE PHE 87 -4.790 -1.975 2.566 651 HZ PHE 87 HZ PHE 87 -6.702 -2.392 4.062 652 H ARG 88 H ARG 88 -3.956 -9.555 2.701 653 HA ARG 88 HA ARG 88 -2.985 -10.741 0.196 654 HB2 ARG 88 1HB ARG 88 -1.153 -11.058 1.677 655 HB3 ARG 88 2HB ARG 88 -2.213 -11.520 3.002 656 HG2 ARG 88 1HG ARG 88 -1.323 -13.540 2.331 657 HG3 ARG 88 2HG ARG 88 -2.869 -13.500 1.480 658 HD2 ARG 88 1HD ARG 88 -1.612 -12.530 -0.487 659 HD3 ARG 88 2HD ARG 88 -0.127 -12.933 0.376 660 HE ARG 88 HE ARG 88 -1.332 -15.288 0.379 661 HH11 ARG 88 2HH1 ARG 88 -1.006 -12.958 -2.187 662 HH12 ARG 88 1HH1 ARG 88 -1.024 -14.148 -3.446 663 HH21 ARG 88 2HH2 ARG 88 -1.356 -16.864 -1.270 664 HH22 ARG 88 1HH2 ARG 88 -1.224 -16.369 -2.923 665 H GLY 89 H GLY 89 -3.946 -12.716 -0.391 666 HA2 GLY 89 1HA GLY 89 -5.804 -14.049 -0.677 667 HA3 GLY 89 2HA GLY 89 -5.623 -14.332 1.047 668 H GLY 90 H GLY 90 -6.239 -11.093 0.087 669 HA2 GLY 90 1HA GLY 90 -8.158 -9.801 0.100 670 HA3 GLY 90 2HA GLY 90 -9.107 -11.279 0.157 671 H LYS 91 H LYS 91 -6.623 -10.081 2.391 672 HA LYS 91 HA LYS 91 -8.541 -9.344 4.392 673 HB2 LYS 91 1HB LYS 91 -8.168 -11.042 5.983 674 HB3 LYS 91 2HB LYS 91 -8.433 -11.894 4.468 675 HG2 LYS 91 1HG LYS 91 -6.609 -13.029 5.149 676 HG3 LYS 91 2HG LYS 91 -5.772 -11.682 4.372 677 HD2 LYS 91 1HD LYS 91 -4.708 -11.719 6.404 678 HD3 LYS 91 2HD LYS 91 -6.016 -10.586 6.751 679 HE2 LYS 91 1HE LYS 91 -7.328 -12.649 7.527 680 HE3 LYS 91 2HE LYS 91 -5.769 -13.473 7.533 681 HZ1 LYS 91 1HZ LYS 91 -4.950 -12.036 9.178 682 HZ2 LYS 91 2HZ LYS 91 -6.506 -12.448 9.697 683 HZ3 LYS 91 3HZ LYS 91 -6.224 -10.937 8.991 684 H LYS 92 H LYS 92 -7.678 -7.894 5.760 685 HA LYS 92 HA LYS 92 -5.295 -6.636 5.336 686 HB2 LYS 92 1HB LYS 92 -5.665 -5.461 7.299 687 HB3 LYS 92 2HB LYS 92 -7.278 -6.051 6.922 688 HG2 LYS 92 1HG LYS 92 -6.676 -8.029 8.458 689 HG3 LYS 92 2HG LYS 92 -5.378 -6.982 9.036 690 HD2 LYS 92 1HD LYS 92 -8.130 -5.861 8.888 691 HD3 LYS 92 2HD LYS 92 -7.763 -7.004 10.183 692 HE2 LYS 92 1HE LYS 92 -6.151 -5.611 11.119 693 HE3 LYS 92 2HE LYS 92 -5.952 -4.681 9.635 694 HZ1 LYS 92 1HZ LYS 92 -7.398 -3.226 10.426 695 HZ2 LYS 92 2HZ LYS 92 -7.649 -4.159 11.813 696 HZ3 LYS 92 3HZ LYS 92 -8.603 -4.412 10.440 697 H VAL 93 H VAL 93 -3.226 -7.156 5.570 698 HA VAL 93 HA VAL 93 -2.511 -9.589 6.989 699 HB VAL 93 HB VAL 93 -0.800 -7.711 5.351 700 HG11 VAL 93 1HG1 VAL 93 -0.185 -10.088 6.981 701 HG12 VAL 93 2HG1 VAL 93 0.537 -10.051 5.371 702 HG13 VAL 93 3HG1 VAL 93 0.844 -8.737 6.506 703 HG21 VAL 93 1HG2 VAL 93 -2.542 -8.865 4.054 704 HG22 VAL 93 2HG2 VAL 93 -0.922 -9.411 3.619 705 HG23 VAL 93 3HG2 VAL 93 -1.944 -10.414 4.649 706 H SER 94 H SER 94 -1.092 -6.315 6.879 707 HA SER 94 HA SER 94 -1.142 -5.969 9.694 708 HB2 SER 94 1HB SER 94 0.723 -7.727 9.267 709 HB3 SER 94 2HB SER 94 1.650 -6.363 8.646 710 HG SER 94 HG SER 94 1.715 -5.482 10.615 711 H GLU 95 H GLU 95 0.199 -4.030 10.355 712 HA GLU 95 HA GLU 95 0.144 -2.071 8.164 713 HB2 GLU 95 1HB GLU 95 -1.383 -1.536 9.968 714 HB3 GLU 95 2HB GLU 95 -0.094 -1.693 11.152 715 HG2 GLU 95 1HG GLU 95 1.057 0.220 10.097 716 HG3 GLU 95 2HG GLU 95 -0.315 0.405 9.005 717 H HIS 96 H HIS 96 1.910 -0.883 7.656 718 HA HIS 96 HA HIS 96 4.457 -1.795 8.594 719 HB2 HIS 96 1HB HIS 96 3.814 -0.928 6.235 720 HB3 HIS 96 2HB HIS 96 4.059 0.673 6.926 721 HD1 HIS 96 1HD HIS 96 6.574 0.593 8.384 722 HD2 HIS 96 2HD HIS 96 6.051 -1.655 4.930 723 HE1 HIS 96 1HE HIS 96 8.893 0.119 7.533 724 HE2 HIS 96 2HE HIS 96 8.548 -1.169 5.397 725 H SER 97 H SER 97 5.139 -1.233 10.559 726 HA SER 97 HA SER 97 4.557 1.451 11.574 727 HB2 SER 97 1HB SER 97 4.128 -0.681 12.935 728 HB3 SER 97 2HB SER 97 5.879 -0.778 13.116 729 HG SER 97 HG SER 97 4.605 0.392 14.794 730 H GLY 98 H GLY 98 7.271 -0.728 10.927 731 HA2 GLY 98 1HA GLY 98 9.380 0.747 11.909 732 HA3 GLY 98 2HA GLY 98 9.479 -0.271 10.480 733 H GLY 99 H GLY 99 11.128 1.653 10.231 734 HA2 GLY 99 1HA GLY 99 10.411 4.222 9.584 735 HA3 GLY 99 2HA GLY 99 11.732 3.359 8.810 736 H ARG 100 H ARG 100 10.341 5.259 7.417 737 HA ARG 100 HA ARG 100 8.613 3.690 5.620 738 HB2 ARG 100 1HB ARG 100 8.689 6.623 6.287 739 HB3 ARG 100 2HB ARG 100 7.911 6.039 4.821 740 HG2 ARG 100 1HG ARG 100 6.422 4.643 6.171 741 HG3 ARG 100 2HG ARG 100 7.195 5.250 7.638 742 HD2 ARG 100 1HD ARG 100 5.913 7.066 5.614 743 HD3 ARG 100 2HD ARG 100 5.009 6.351 6.949 744 HE ARG 100 HE ARG 100 6.972 8.471 7.103 745 HH11 ARG 100 2HH1 ARG 100 5.154 6.051 8.824 746 HH12 ARG 100 1HH1 ARG 100 5.317 6.835 10.361 747 HH21 ARG 100 2HH2 ARG 100 7.192 9.513 9.121 748 HH22 ARG 100 1HH2 ARG 100 6.475 8.805 10.529 749 H ASP 101 H ASP 101 11.343 3.368 5.373 750 HA ASP 101 HA ASP 101 12.219 5.090 3.187 751 HB2 ASP 101 1HB ASP 101 13.634 2.857 4.659 752 HB3 ASP 101 2HB ASP 101 14.358 3.835 3.385 753 H LEU 102 H LEU 102 12.515 4.429 1.101 754 HA LEU 102 HA LEU 102 10.888 2.726 -0.162 755 HB2 LEU 102 1HB LEU 102 12.252 4.006 -1.536 756 HB3 LEU 102 2HB LEU 102 13.729 3.455 -0.745 757 HG LEU 102 HG LEU 102 13.427 1.243 -1.819 758 HD11 LEU 102 1HD1 LEU 102 11.301 0.823 -2.423 759 HD12 LEU 102 2HD1 LEU 102 11.788 1.602 -3.928 760 HD13 LEU 102 3HD1 LEU 102 10.927 2.525 -2.696 761 HD21 LEU 102 1HD2 LEU 102 14.738 3.216 -2.794 762 HD22 LEU 102 2HD2 LEU 102 13.391 3.384 -3.921 763 HD23 LEU 102 3HD2 LEU 102 14.323 1.887 -3.878 764 H ASP 103 H ASP 103 14.016 1.776 1.226 765 HA ASP 103 HA ASP 103 13.787 -0.962 0.496 766 HB2 ASP 103 1HB ASP 103 15.475 0.320 2.656 767 HB3 ASP 103 2HB ASP 103 15.682 -1.312 2.024 768 H SER 104 H SER 104 13.408 0.700 3.628 769 HA SER 104 HA SER 104 12.714 -1.390 5.236 770 HB2 SER 104 1HB SER 104 11.728 0.163 6.701 771 HB3 SER 104 2HB SER 104 12.888 1.129 5.788 772 HG SER 104 HG SER 104 10.907 1.449 4.346 773 H LEU 105 H LEU 105 10.856 -0.016 2.658 774 HA LEU 105 HA LEU 105 8.366 -1.228 3.462 775 HB2 LEU 105 1HB LEU 105 9.177 0.059 0.860 776 HB3 LEU 105 2HB LEU 105 7.539 -0.426 1.293 777 HG LEU 105 HG LEU 105 9.054 1.589 2.924 778 HD11 LEU 105 1HD1 LEU 105 9.096 2.435 0.662 779 HD12 LEU 105 2HD1 LEU 105 7.921 3.340 1.615 780 HD13 LEU 105 3HD1 LEU 105 7.371 2.109 0.478 781 HD21 LEU 105 1HD2 LEU 105 6.573 0.320 3.177 782 HD22 LEU 105 2HD2 LEU 105 6.218 1.962 2.638 783 HD23 LEU 105 3HD2 LEU 105 7.174 1.699 4.098 784 H HIS 106 H HIS 106 10.542 -1.676 0.670 785 HA HIS 106 HA HIS 106 9.412 -3.850 -0.513 786 HB2 HIS 106 1HB HIS 106 11.556 -2.572 -1.148 787 HB3 HIS 106 2HB HIS 106 12.393 -3.720 -0.108 788 HD1 HIS 106 1HD HIS 106 13.479 -5.406 -1.540 789 HD2 HIS 106 2HD HIS 106 9.720 -4.368 -2.970 790 HE1 HIS 106 1HE HIS 106 13.101 -6.862 -3.556 791 HE2 HIS 106 2HE HIS 106 10.857 -6.156 -4.454 792 H ARG 107 H ARG 107 11.712 -3.935 2.200 793 HA ARG 107 HA ARG 107 11.767 -6.732 2.483 794 HB2 ARG 107 1HB ARG 107 12.871 -6.367 4.546 795 HB3 ARG 107 2HB ARG 107 13.364 -5.042 3.500 796 HG2 ARG 107 1HG ARG 107 11.564 -3.661 4.594 797 HG3 ARG 107 2HG ARG 107 11.391 -4.970 5.764 798 HD2 ARG 107 1HD ARG 107 14.048 -3.693 5.196 799 HD3 ARG 107 2HD ARG 107 12.926 -3.014 6.375 800 HE ARG 107 HE ARG 107 13.123 -5.591 7.148 801 HH11 ARG 107 2HH1 ARG 107 15.489 -3.141 6.424 802 HH12 ARG 107 1HH1 ARG 107 16.666 -3.766 7.531 803 HH21 ARG 107 2HH2 ARG 107 14.665 -6.423 8.609 804 HH22 ARG 107 1HH2 ARG 107 16.197 -5.633 8.773 805 H PHE 108 H PHE 108 9.822 -4.261 4.141 806 HA PHE 108 HA PHE 108 8.470 -5.734 5.980 807 HB2 PHE 108 1HB PHE 108 8.075 -3.369 5.786 808 HB3 PHE 108 2HB PHE 108 7.388 -3.565 4.177 809 HD1 PHE 108 2HD PHE 108 5.161 -4.551 3.890 810 HD2 PHE 108 1HD PHE 108 6.784 -3.783 7.748 811 HE1 PHE 108 2HE PHE 108 2.917 -4.767 4.873 812 HE2 PHE 108 1HE PHE 108 4.543 -3.999 8.739 813 HZ PHE 108 HZ PHE 108 2.605 -4.491 7.300 814 H VAL 109 H VAL 109 7.571 -5.404 2.555 815 HA VAL 109 HA VAL 109 5.334 -7.122 2.671 816 HB VAL 109 HB VAL 109 7.074 -6.427 0.301 817 HG11 VAL 109 1HG1 VAL 109 4.228 -7.383 0.212 818 HG12 VAL 109 2HG1 VAL 109 5.393 -7.262 -1.108 819 HG13 VAL 109 3HG1 VAL 109 5.592 -8.497 0.136 820 HG21 VAL 109 1HG2 VAL 109 6.230 -4.384 0.803 821 HG22 VAL 109 2HG2 VAL 109 4.830 -5.014 -0.066 822 HG23 VAL 109 3HG2 VAL 109 4.862 -5.046 1.698 823 H LEU 110 H LEU 110 8.673 -7.696 1.576 824 HA LEU 110 HA LEU 110 8.491 -10.318 0.795 825 HB2 LEU 110 1HB LEU 110 10.728 -8.935 2.263 826 HB3 LEU 110 2HB LEU 110 10.875 -10.528 1.524 827 HG LEU 110 HG LEU 110 10.128 -8.087 -0.067 828 HD11 LEU 110 1HD1 LEU 110 12.662 -8.373 -0.747 829 HD12 LEU 110 2HD1 LEU 110 12.790 -8.985 0.902 830 HD13 LEU 110 3HD1 LEU 110 12.179 -7.357 0.613 831 HD21 LEU 110 1HD2 LEU 110 11.528 -9.801 -1.662 832 HD22 LEU 110 2HD2 LEU 110 9.769 -9.720 -1.557 833 HD23 LEU 110 3HD2 LEU 110 10.656 -10.914 -0.609 834 H SER 111 H SER 111 9.094 -9.113 4.086 835 HA SER 111 HA SER 111 9.153 -11.709 5.260 836 HB2 SER 111 1HB SER 111 10.242 -9.689 6.255 837 HB3 SER 111 2HB SER 111 8.637 -9.060 6.631 838 HG SER 111 HG SER 111 8.338 -11.086 7.822 839 H GLN 112 H GLN 112 6.708 -9.129 5.170 840 HA GLN 112 HA GLN 112 4.732 -10.277 6.696 841 HB2 GLN 112 1HB GLN 112 4.702 -8.422 4.357 842 HB3 GLN 112 2HB GLN 112 3.173 -9.081 4.925 843 HG2 GLN 112 1HG GLN 112 5.099 -7.302 6.368 844 HG3 GLN 112 2HG GLN 112 3.389 -7.041 6.030 845 HE21 GLN 112 1HE2 GLN 112 5.573 -7.865 8.358 846 HE22 GLN 112 2HE2 GLN 112 4.514 -8.643 9.479 847 H ALA 113 H ALA 113 4.767 -10.430 3.131 848 HA ALA 113 HA ALA 113 2.803 -12.321 2.787 849 HB1 ALA 113 1HB ALA 113 4.508 -10.991 1.128 850 HB2 ALA 113 2HB ALA 113 5.048 -12.659 0.942 851 HB3 ALA 113 3HB ALA 113 3.367 -12.237 0.621 852 H LYS 114 H LYS 114 6.266 -12.872 3.321 853 HA LYS 114 HA LYS 114 5.892 -15.749 3.347 854 HB2 LYS 114 1HB LYS 114 7.916 -14.926 2.331 855 HB3 LYS 114 2HB LYS 114 8.321 -14.004 3.773 856 HG2 LYS 114 1HG LYS 114 9.074 -15.831 4.902 857 HG3 LYS 114 2HG LYS 114 7.993 -16.939 4.055 858 HD2 LYS 114 1HD LYS 114 10.223 -15.575 2.594 859 HD3 LYS 114 2HD LYS 114 10.537 -17.021 3.556 860 HE2 LYS 114 1HE LYS 114 8.647 -18.111 2.255 861 HE3 LYS 114 2HE LYS 114 8.729 -16.724 1.170 862 HZ1 LYS 114 1HZ LYS 114 10.078 -18.348 0.203 863 HZ2 LYS 114 2HZ LYS 114 10.798 -18.775 1.673 864 HZ3 LYS 114 3HZ LYS 114 11.172 -17.293 0.948 865 H ASP 115 H ASP 115 4.620 -16.186 5.127 866 HA ASP 115 HA ASP 115 5.425 -15.215 7.744 867 HB2 ASP 115 1HB ASP 115 3.419 -16.749 8.419 868 HB3 ASP 115 2HB ASP 115 3.110 -15.223 7.595 869 H GLU 116 H GLU 116 6.700 -16.287 9.099 870 HA GLU 116 HA GLU 116 7.598 -18.955 8.389 871 HB2 GLU 116 1HB GLU 116 9.075 -16.988 9.202 872 HB3 GLU 116 2HB GLU 116 8.500 -17.418 10.807 873 HG2 GLU 116 1HG GLU 116 9.492 -19.558 10.696 874 HG3 GLU 116 2HG GLU 116 9.809 -19.398 8.969 875 H LEU 117 H LEU 117 4.930 -18.935 9.136 876 HA LEU 117 HA LEU 117 4.927 -20.047 11.857 877 HB2 LEU 117 1HB LEU 117 2.766 -18.917 10.109 878 HB3 LEU 117 2HB LEU 117 2.390 -19.905 11.519 879 HG LEU 117 HG LEU 117 3.816 -18.176 12.815 880 HD11 LEU 117 1HD1 LEU 117 4.160 -16.085 11.896 881 HD12 LEU 117 2HD1 LEU 117 2.971 -16.334 10.618 882 HD13 LEU 117 3HD1 LEU 117 4.530 -17.154 10.543 883 HD21 LEU 117 1HD2 LEU 117 1.043 -18.210 11.973 884 HD22 LEU 117 2HD2 LEU 117 1.598 -16.583 12.369 885 HD23 LEU 117 3HD2 LEU 117 1.739 -17.877 13.559 Start of MODEL 20 1 H1 GLY 1 H GLY 1 2.842 -10.487 -16.923 2 HA2 GLY 1 1HA GLY 1 5.374 -9.115 -17.137 3 HA3 GLY 1 2HA GLY 1 4.071 -8.344 -18.030 4 H SER 2 H SER 2 5.660 -7.548 -15.602 5 HA SER 2 HA SER 2 3.885 -7.589 -13.376 6 HB2 SER 2 1HB SER 2 6.352 -5.974 -14.016 7 HB3 SER 2 2HB SER 2 5.443 -5.749 -12.523 8 HG SER 2 HG SER 2 6.742 -8.103 -13.422 9 H SER 3 H SER 3 3.020 -5.591 -12.357 10 HA SER 3 HA SER 3 1.047 -4.387 -13.719 11 HB2 SER 3 1HB SER 3 2.764 -2.995 -11.650 12 HB3 SER 3 2HB SER 3 1.129 -2.527 -12.113 13 HG SER 3 HG SER 3 1.331 -3.875 -10.180 14 H GLY 4 H GLY 4 0.897 -3.175 -15.480 15 HA2 GLY 4 1HA GLY 4 3.181 -1.426 -16.164 16 HA3 GLY 4 2HA GLY 4 2.265 -2.315 -17.371 17 H SER 5 H SER 5 -0.328 -1.847 -16.429 18 HA SER 5 HA SER 5 -1.208 0.311 -17.724 19 HB2 SER 5 1HB SER 5 -2.221 -0.629 -15.031 20 HB3 SER 5 2HB SER 5 -3.102 0.462 -16.101 21 HG SER 5 HG SER 5 -3.793 -1.257 -17.068 22 H SER 6 H SER 6 -0.481 0.488 -14.234 23 HA SER 6 HA SER 6 -0.368 3.385 -14.386 24 HB2 SER 6 1HB SER 6 -0.051 3.261 -11.930 25 HB3 SER 6 2HB SER 6 -1.481 2.378 -12.463 26 HG SER 6 HG SER 6 -0.515 0.503 -12.021 27 H GLY 7 H GLY 7 1.808 0.898 -13.025 28 HA2 GLY 7 1HA GLY 7 4.105 0.670 -13.349 29 HA3 GLY 7 2HA GLY 7 4.087 2.132 -14.326 30 H THR 8 H THR 8 2.707 3.698 -12.275 31 HA THR 8 HA THR 8 5.007 4.110 -10.487 32 HB THR 8 HB THR 8 3.995 6.414 -10.156 33 HG1 THR 8 1HG THR 8 1.994 6.404 -10.952 34 HG21 THR 8 1HG2 THR 8 4.553 6.412 -13.009 35 HG22 THR 8 2HG2 THR 8 5.707 5.436 -12.100 36 HG23 THR 8 3HG2 THR 8 5.463 7.132 -11.683 37 H VAL 9 H VAL 9 1.450 4.346 -10.508 38 HA VAL 9 HA VAL 9 1.290 3.075 -7.929 39 HB VAL 9 HB VAL 9 0.502 5.976 -8.210 40 HG11 VAL 9 1HG1 VAL 9 -0.113 5.589 -5.718 41 HG12 VAL 9 2HG1 VAL 9 -1.258 5.115 -6.975 42 HG13 VAL 9 3HG1 VAL 9 -0.248 3.897 -6.194 43 HG21 VAL 9 1HG2 VAL 9 2.549 4.530 -6.549 44 HG22 VAL 9 2HG2 VAL 9 2.802 5.843 -7.698 45 HG23 VAL 9 3HG2 VAL 9 1.991 6.158 -6.164 46 H LEU 10 H LEU 10 -0.649 2.098 -7.627 47 HA LEU 10 HA LEU 10 -2.576 2.313 -9.807 48 HB2 LEU 10 1HB LEU 10 -1.938 0.293 -7.726 49 HB3 LEU 10 2HB LEU 10 -3.591 0.349 -8.336 50 HG LEU 10 HG LEU 10 -2.294 0.264 -10.669 51 HD11 LEU 10 1HD1 LEU 10 -0.113 0.181 -9.303 52 HD12 LEU 10 2HD1 LEU 10 -0.313 -0.948 -10.642 53 HD13 LEU 10 3HD1 LEU 10 -0.554 -1.496 -8.984 54 HD21 LEU 10 1HD2 LEU 10 -4.033 -1.294 -9.596 55 HD22 LEU 10 2HD2 LEU 10 -2.650 -2.275 -9.113 56 HD23 LEU 10 3HD2 LEU 10 -2.958 -1.965 -10.823 57 H ALA 11 H ALA 11 -3.853 4.059 -9.465 58 HA ALA 11 HA ALA 11 -4.844 4.772 -6.872 59 HB1 ALA 11 1HB ALA 11 -5.481 5.769 -9.638 60 HB2 ALA 11 2HB ALA 11 -6.228 6.416 -8.177 61 HB3 ALA 11 3HB ALA 11 -4.485 6.545 -8.408 62 H LEU 12 H LEU 12 -5.966 2.948 -6.129 63 HA LEU 12 HA LEU 12 -8.140 1.830 -7.646 64 HB2 LEU 12 1HB LEU 12 -7.400 1.435 -4.751 65 HB3 LEU 12 2HB LEU 12 -8.537 0.455 -5.674 66 HG LEU 12 HG LEU 12 -5.589 0.665 -6.277 67 HD11 LEU 12 1HD1 LEU 12 -6.901 -1.740 -5.087 68 HD12 LEU 12 2HD1 LEU 12 -6.355 -0.426 -4.046 69 HD13 LEU 12 3HD1 LEU 12 -5.201 -1.268 -5.081 70 HD21 LEU 12 1HD2 LEU 12 -6.944 0.085 -8.208 71 HD22 LEU 12 2HD2 LEU 12 -7.739 -1.192 -7.290 72 HD23 LEU 12 3HD2 LEU 12 -6.019 -1.314 -7.662 73 H THR 13 H THR 13 -10.355 1.888 -7.067 74 HA THR 13 HA THR 13 -11.111 4.233 -5.446 75 HB THR 13 HB THR 13 -13.026 4.586 -6.888 76 HG1 THR 13 1HG THR 13 -12.780 2.106 -7.522 77 HG21 THR 13 1HG2 THR 13 -10.519 5.255 -7.526 78 HG22 THR 13 2HG2 THR 13 -11.896 5.653 -8.553 79 HG23 THR 13 3HG2 THR 13 -10.895 4.250 -8.924 80 H GLU 14 H GLU 14 -13.473 4.090 -4.724 81 HA GLU 14 HA GLU 14 -13.772 1.832 -3.069 82 HB2 GLU 14 1HB GLU 14 -14.775 4.256 -2.906 83 HB3 GLU 14 2HB GLU 14 -16.115 3.546 -3.795 84 HG2 GLU 14 1HG GLU 14 -16.050 1.732 -1.948 85 HG3 GLU 14 2HG GLU 14 -15.145 2.941 -1.039 86 H ASN 15 H ASN 15 -14.267 2.105 -6.338 87 HA ASN 15 HA ASN 15 -16.480 0.197 -6.431 88 HB2 ASN 15 1HB ASN 15 -16.647 2.084 -7.951 89 HB3 ASN 15 2HB ASN 15 -15.062 1.721 -8.627 90 HD21 ASN 15 1HD2 ASN 15 -15.296 0.978 -10.600 91 HD22 ASN 15 2HD2 ASN 15 -16.468 -0.180 -11.123 92 H ASN 16 H ASN 16 -13.048 0.402 -6.878 93 HA ASN 16 HA ASN 16 -12.990 -2.477 -7.451 94 HB2 ASN 16 1HB ASN 16 -11.015 -2.046 -8.963 95 HB3 ASN 16 2HB ASN 16 -12.565 -1.487 -9.586 96 HD21 ASN 16 1HD2 ASN 16 -9.595 -0.468 -8.014 97 HD22 ASN 16 2HD2 ASN 16 -9.649 1.169 -8.561 98 H PHE 17 H PHE 17 -12.645 -1.016 -4.979 99 HA PHE 17 HA PHE 17 -9.794 -1.082 -4.434 100 HB2 PHE 17 1HB PHE 17 -10.885 0.720 -3.370 101 HB3 PHE 17 2HB PHE 17 -12.212 -0.298 -2.820 102 HD1 PHE 17 1HD PHE 17 -11.785 -1.976 -1.008 103 HD2 PHE 17 2HD PHE 17 -8.970 1.041 -2.053 104 HE1 PHE 17 1HE PHE 17 -10.653 -2.288 1.155 105 HE2 PHE 17 2HE PHE 17 -7.833 0.733 0.106 106 HZ PHE 17 HZ PHE 17 -8.673 -0.934 1.713 107 H ASP 18 H ASP 18 -12.672 -2.965 -3.782 108 HA ASP 18 HA ASP 18 -11.297 -4.741 -1.951 109 HB2 ASP 18 1HB ASP 18 -13.458 -5.980 -1.940 110 HB3 ASP 18 2HB ASP 18 -13.628 -4.281 -1.511 111 H ASP 19 H ASP 19 -12.631 -4.883 -5.233 112 HA ASP 19 HA ASP 19 -12.100 -7.560 -5.786 113 HB2 ASP 19 1HB ASP 19 -13.369 -5.773 -7.180 114 HB3 ASP 19 2HB ASP 19 -11.789 -5.429 -7.881 115 H THR 20 H THR 20 -10.057 -4.710 -6.384 116 HA THR 20 HA THR 20 -7.892 -5.990 -7.560 117 HB THR 20 HB THR 20 -7.798 -3.587 -5.725 118 HG1 THR 20 1HG THR 20 -9.197 -3.302 -7.524 119 HG21 THR 20 1HG2 THR 20 -5.868 -3.394 -7.747 120 HG22 THR 20 2HG2 THR 20 -5.742 -5.040 -7.127 121 HG23 THR 20 3HG2 THR 20 -5.590 -3.669 -6.027 122 H ILE 21 H ILE 21 -8.037 -4.943 -4.150 123 HA ILE 21 HA ILE 21 -5.795 -6.209 -3.216 124 HB ILE 21 HB ILE 21 -6.844 -6.255 -0.995 125 HG12 ILE 21 1HG1 ILE 21 -9.359 -5.295 -2.368 126 HG13 ILE 21 2HG1 ILE 21 -9.108 -6.961 -1.858 127 HG21 ILE 21 1HG2 ILE 21 -7.390 -3.766 -2.606 128 HG22 ILE 21 2HG2 ILE 21 -7.363 -3.841 -0.845 129 HG23 ILE 21 3HG2 ILE 21 -5.895 -4.175 -1.764 130 HD11 ILE 21 1HD1 ILE 21 -8.948 -6.267 0.446 131 HD12 ILE 21 2HD1 ILE 21 -9.083 -4.574 -0.030 132 HD13 ILE 21 3HD1 ILE 21 -10.446 -5.667 -0.265 133 H ALA 22 H ALA 22 -8.897 -7.614 -3.981 134 HA ALA 22 HA ALA 22 -8.656 -10.057 -2.630 135 HB1 ALA 22 1HB ALA 22 -9.997 -9.940 -5.290 136 HB2 ALA 22 2HB ALA 22 -10.506 -10.741 -3.803 137 HB3 ALA 22 3HB ALA 22 -10.649 -8.989 -3.955 138 H GLU 23 H GLU 23 -7.406 -8.982 -5.736 139 HA GLU 23 HA GLU 23 -6.448 -11.607 -6.458 140 HB2 GLU 23 1HB GLU 23 -5.897 -8.912 -7.712 141 HB3 GLU 23 2HB GLU 23 -5.462 -10.469 -8.403 142 HG2 GLU 23 1HG GLU 23 -8.026 -10.942 -8.168 143 HG3 GLU 23 2HG GLU 23 -8.133 -9.183 -8.154 144 H GLY 24 H GLY 24 -4.608 -12.478 -5.782 145 HA2 GLY 24 1HA GLY 24 -2.633 -12.647 -4.580 146 HA3 GLY 24 2HA GLY 24 -2.095 -11.507 -5.805 147 H ILE 25 H ILE 25 -0.617 -10.737 -4.159 148 HA ILE 25 HA ILE 25 -1.706 -9.407 -1.841 149 HB ILE 25 HB ILE 25 1.111 -9.382 -2.933 150 HG12 ILE 25 1HG1 ILE 25 0.150 -10.915 -0.532 151 HG13 ILE 25 2HG1 ILE 25 0.030 -11.603 -2.148 152 HG21 ILE 25 1HG2 ILE 25 1.394 -7.699 -1.496 153 HG22 ILE 25 2HG2 ILE 25 -0.177 -7.967 -0.744 154 HG23 ILE 25 3HG2 ILE 25 1.222 -8.906 -0.223 155 HD11 ILE 25 1HD1 ILE 25 2.186 -12.126 -2.180 156 HD12 ILE 25 2HD1 ILE 25 2.666 -10.530 -1.602 157 HD13 ILE 25 3HD1 ILE 25 2.186 -11.778 -0.452 158 H THR 26 H THR 26 -2.107 -7.285 -1.585 159 HA THR 26 HA THR 26 -1.283 -5.432 -3.713 160 HB THR 26 HB THR 26 -4.051 -5.522 -2.497 161 HG1 THR 26 1HG THR 26 -3.819 -7.145 -4.042 162 HG21 THR 26 1HG2 THR 26 -4.036 -3.912 -4.774 163 HG22 THR 26 2HG2 THR 26 -2.588 -3.449 -3.881 164 HG23 THR 26 3HG2 THR 26 -4.167 -3.377 -3.099 165 H PHE 27 H PHE 27 0.088 -4.113 -2.688 166 HA PHE 27 HA PHE 27 -0.415 -3.323 0.068 167 HB2 PHE 27 1HB PHE 27 1.879 -4.009 -0.882 168 HB3 PHE 27 2HB PHE 27 1.902 -2.413 -1.625 169 HD1 PHE 27 1HD PHE 27 0.682 -3.485 1.721 170 HD2 PHE 27 2HD PHE 27 3.516 -1.208 -0.492 171 HE1 PHE 27 1HE PHE 27 1.545 -2.528 3.817 172 HE2 PHE 27 2HE PHE 27 4.383 -0.248 1.600 173 HZ PHE 27 HZ PHE 27 3.398 -0.909 3.759 174 H ILE 28 H ILE 28 -1.750 -1.672 0.385 175 HA ILE 28 HA ILE 28 -1.787 0.528 -1.562 176 HB ILE 28 HB ILE 28 -3.798 -0.167 0.582 177 HG12 ILE 28 1HG1 ILE 28 -4.300 -0.264 -2.373 178 HG13 ILE 28 2HG1 ILE 28 -3.513 -1.621 -1.575 179 HG21 ILE 28 1HG2 ILE 28 -5.206 1.540 -0.492 180 HG22 ILE 28 2HG2 ILE 28 -3.729 2.223 0.187 181 HG23 ILE 28 3HG2 ILE 28 -3.861 1.963 -1.552 182 HD11 ILE 28 1HD1 ILE 28 -5.430 -1.863 -0.091 183 HD12 ILE 28 2HD1 ILE 28 -6.217 -0.497 -0.884 184 HD13 ILE 28 3HD1 ILE 28 -5.903 -1.980 -1.786 185 H LYS 29 H LYS 29 -1.904 2.721 -0.778 186 HA LYS 29 HA LYS 29 -0.801 3.105 1.920 187 HB2 LYS 29 1HB LYS 29 1.014 3.266 0.243 188 HB3 LYS 29 2HB LYS 29 0.128 4.548 -0.571 189 HG2 LYS 29 1HG LYS 29 0.708 4.917 2.310 190 HG3 LYS 29 2HG LYS 29 2.060 5.033 1.182 191 HD2 LYS 29 1HD LYS 29 -0.512 6.559 0.832 192 HD3 LYS 29 2HD LYS 29 0.878 7.201 1.708 193 HE2 LYS 29 1HE LYS 29 1.332 6.110 -1.017 194 HE3 LYS 29 2HE LYS 29 0.502 7.660 -0.878 195 HZ1 LYS 29 1HZ LYS 29 3.249 6.953 -0.098 196 HZ2 LYS 29 2HZ LYS 29 2.462 8.229 0.684 197 HZ3 LYS 29 3HZ LYS 29 2.699 8.282 -0.990 198 H PHE 30 H PHE 30 -2.344 4.150 2.997 199 HA PHE 30 HA PHE 30 -4.092 6.026 1.632 200 HB2 PHE 30 1HB PHE 30 -4.117 5.340 4.570 201 HB3 PHE 30 2HB PHE 30 -5.432 5.996 3.601 202 HD1 PHE 30 1HD PHE 30 -3.404 2.985 4.247 203 HD2 PHE 30 2HD PHE 30 -6.877 4.583 2.375 204 HE1 PHE 30 1HE PHE 30 -4.224 0.704 3.827 205 HE2 PHE 30 2HE PHE 30 -7.702 2.304 1.954 206 HZ PHE 30 HZ PHE 30 -6.377 0.361 2.681 207 H TYR 31 H TYR 31 -3.144 7.942 1.247 208 HA TYR 31 HA TYR 31 -1.816 9.287 3.509 209 HB2 TYR 31 1HB TYR 31 -0.325 10.342 2.033 210 HB3 TYR 31 2HB TYR 31 -0.429 8.694 1.425 211 HD1 TYR 31 1HD TYR 31 -1.560 8.210 -0.678 212 HD2 TYR 31 2HD TYR 31 -1.258 12.195 0.779 213 HE1 TYR 31 1HE TYR 31 -2.196 9.061 -2.896 214 HE2 TYR 31 2HE TYR 31 -1.895 13.059 -1.434 215 HH TYR 31 HH TYR 31 -2.624 10.856 -4.126 216 H ALA 32 H ALA 32 -1.781 11.803 2.979 217 HA ALA 32 HA ALA 32 -4.450 12.625 2.069 218 HB1 ALA 32 1HB ALA 32 -3.610 12.589 4.756 219 HB2 ALA 32 2HB ALA 32 -3.644 14.280 4.255 220 HB3 ALA 32 3HB ALA 32 -5.088 13.283 4.089 221 HA PRO 33 HA PRO 33 -2.058 15.571 -0.208 222 HB2 PRO 33 1HB PRO 33 -4.125 17.116 -1.049 223 HB3 PRO 33 2HB PRO 33 -3.767 15.529 -1.742 224 HG2 PRO 33 1HG PRO 33 -5.808 16.281 0.316 225 HG3 PRO 33 2HG PRO 33 -5.969 15.193 -1.075 226 HD2 PRO 33 1HD PRO 33 -5.581 14.286 1.447 227 HD3 PRO 33 2HD PRO 33 -4.951 13.438 0.019 228 H TRP 34 H TRP 34 -3.739 16.150 2.648 229 HA TRP 34 HA TRP 34 -2.966 18.986 2.707 230 HB2 TRP 34 1HB TRP 34 -4.431 19.021 4.792 231 HB3 TRP 34 2HB TRP 34 -5.260 18.768 3.258 232 HD1 TRP 34 HD TRP 34 -6.614 16.557 2.969 233 HE1 TRP 34 1HE TRP 34 -7.133 14.562 4.510 234 HE3 TRP 34 3HE TRP 34 -3.317 17.569 6.742 235 HZ2 TRP 34 2HZ TRP 34 -6.262 13.552 6.998 236 HZ3 TRP 34 3HZ TRP 34 -3.223 16.039 8.668 237 HH2 TRP 34 HH TRP 34 -4.666 14.074 8.791 238 H CYS 35 H CYS 35 -1.484 16.264 3.311 239 HA CYS 35 HA CYS 35 -0.413 17.047 5.934 240 HB2 CYS 35 1HB CYS 35 -1.306 14.732 5.715 241 HB3 CYS 35 2HB CYS 35 -0.092 14.414 4.481 242 HG CYS 35 HG CYS 35 0.325 13.471 7.320 243 H GLY 36 H GLY 36 1.862 17.084 6.268 244 HA2 GLY 36 1HA GLY 36 3.307 17.978 3.902 245 HA3 GLY 36 2HA GLY 36 3.834 18.142 5.569 246 H HIS 37 H HIS 37 4.145 15.847 6.638 247 HA HIS 37 HA HIS 37 6.417 14.706 5.709 248 HB2 HIS 37 1HB HIS 37 4.141 13.420 7.214 249 HB3 HIS 37 2HB HIS 37 5.663 12.589 6.909 250 HD1 HIS 37 1HD HIS 37 6.478 12.499 9.299 251 HD2 HIS 37 2HD HIS 37 5.509 16.343 8.060 252 HE1 HIS 37 1HE HIS 37 7.315 14.022 11.117 253 HE2 HIS 37 2HE HIS 37 6.641 16.335 10.386 254 H CYS 38 H CYS 38 3.124 13.817 4.775 255 HA CYS 38 HA CYS 38 3.539 11.538 3.323 256 HB2 CYS 38 1HB CYS 38 1.665 13.849 2.937 257 HB3 CYS 38 2HB CYS 38 1.687 12.532 1.770 258 HG CYS 38 HG CYS 38 0.731 12.448 5.035 259 H LYS 39 H LYS 39 3.983 14.875 2.202 260 HA LYS 39 HA LYS 39 4.554 14.507 -0.440 261 HB2 LYS 39 1HB LYS 39 5.606 16.412 1.609 262 HB3 LYS 39 2HB LYS 39 6.334 16.403 0.009 263 HG2 LYS 39 1HG LYS 39 4.707 18.043 -0.149 264 HG3 LYS 39 2HG LYS 39 3.923 16.629 -0.858 265 HD2 LYS 39 1HD LYS 39 2.583 16.283 1.025 266 HD3 LYS 39 2HD LYS 39 3.615 17.278 2.055 267 HE2 LYS 39 1HE LYS 39 1.759 18.630 1.678 268 HE3 LYS 39 2HE LYS 39 2.937 19.214 0.503 269 HZ1 LYS 39 1HZ LYS 39 1.535 17.187 -0.748 270 HZ2 LYS 39 2HZ LYS 39 1.424 18.847 -1.053 271 HZ3 LYS 39 3HZ LYS 39 0.368 18.118 0.050 272 H THR 40 H THR 40 6.631 13.811 2.307 273 HA THR 40 HA THR 40 9.008 13.342 0.843 274 HB THR 40 HB THR 40 8.221 12.159 3.512 275 HG1 THR 40 1HG THR 40 9.647 14.560 2.926 276 HG21 THR 40 1HG2 THR 40 11.028 12.799 2.982 277 HG22 THR 40 2HG2 THR 40 10.378 11.528 1.947 278 HG23 THR 40 3HG2 THR 40 10.311 11.358 3.701 279 H LEU 41 H LEU 41 6.258 11.338 1.676 280 HA LEU 41 HA LEU 41 7.544 8.917 0.724 281 HB2 LEU 41 1HB LEU 41 5.937 9.005 2.663 282 HB3 LEU 41 2HB LEU 41 4.658 9.304 1.488 283 HG LEU 41 HG LEU 41 5.293 7.100 0.423 284 HD11 LEU 41 1HD1 LEU 41 6.351 5.629 2.397 285 HD12 LEU 41 2HD1 LEU 41 7.170 7.161 2.700 286 HD13 LEU 41 3HD1 LEU 41 7.314 6.380 1.124 287 HD21 LEU 41 1HD2 LEU 41 3.710 6.056 1.656 288 HD22 LEU 41 2HD2 LEU 41 3.492 7.675 2.320 289 HD23 LEU 41 3HD2 LEU 41 4.462 6.487 3.192 290 H ALA 42 H ALA 42 5.284 11.322 -0.407 291 HA ALA 42 HA ALA 42 3.852 10.298 -2.391 292 HB1 ALA 42 1HB ALA 42 3.654 12.529 -2.543 293 HB2 ALA 42 2HB ALA 42 5.346 12.811 -2.131 294 HB3 ALA 42 3HB ALA 42 4.900 12.378 -3.781 295 HA PRO 43 HA PRO 43 7.515 9.926 -5.515 296 HB2 PRO 43 1HB PRO 43 10.026 10.299 -4.552 297 HB3 PRO 43 2HB PRO 43 9.036 11.617 -5.190 298 HG2 PRO 43 1HG PRO 43 9.519 10.814 -2.346 299 HG3 PRO 43 2HG PRO 43 9.481 12.437 -3.061 300 HD2 PRO 43 1HD PRO 43 7.387 11.399 -1.692 301 HD3 PRO 43 2HD PRO 43 7.178 12.527 -3.046 302 H THR 44 H THR 44 8.500 9.012 -2.220 303 HA THR 44 HA THR 44 9.955 6.730 -2.801 304 HB THR 44 HB THR 44 8.193 7.296 -0.412 305 HG1 THR 44 1HG THR 44 10.165 8.604 -0.940 306 HG21 THR 44 1HG2 THR 44 10.199 5.092 -0.878 307 HG22 THR 44 2HG2 THR 44 8.486 4.922 -0.497 308 HG23 THR 44 3HG2 THR 44 9.600 5.552 0.715 309 H TRP 45 H TRP 45 6.507 6.849 -1.883 310 HA TRP 45 HA TRP 45 5.813 4.237 -2.132 311 HB2 TRP 45 1HB TRP 45 4.298 6.159 -1.523 312 HB3 TRP 45 2HB TRP 45 4.121 6.479 -3.247 313 HD1 TRP 45 HD TRP 45 2.016 5.437 -4.240 314 HE1 TRP 45 1HE TRP 45 0.526 3.406 -3.715 315 HE3 TRP 45 3HE TRP 45 4.623 3.522 -0.282 316 HZ2 TRP 45 2HZ TRP 45 0.463 1.274 -1.867 317 HZ3 TRP 45 3HZ TRP 45 3.779 1.484 0.810 318 HH2 TRP 45 HH TRP 45 1.743 0.385 0.032 319 H GLU 46 H GLU 46 6.153 6.562 -4.784 320 HA GLU 46 HA GLU 46 5.259 4.929 -6.866 321 HB2 GLU 46 1HB GLU 46 7.013 7.327 -6.668 322 HB3 GLU 46 2HB GLU 46 7.047 6.417 -8.172 323 HG2 GLU 46 1HG GLU 46 4.549 6.639 -8.248 324 HG3 GLU 46 2HG GLU 46 4.683 7.757 -6.892 325 H GLU 47 H GLU 47 8.610 5.523 -5.795 326 HA GLU 47 HA GLU 47 9.980 3.884 -7.493 327 HB2 GLU 47 1HB GLU 47 10.506 4.175 -4.529 328 HB3 GLU 47 2HB GLU 47 11.667 3.630 -5.732 329 HG2 GLU 47 1HG GLU 47 11.087 5.948 -6.842 330 HG3 GLU 47 2HG GLU 47 10.633 6.359 -5.188 331 H LEU 48 H LEU 48 8.271 2.928 -4.543 332 HA LEU 48 HA LEU 48 9.037 0.264 -4.416 333 HB2 LEU 48 1HB LEU 48 7.704 1.538 -2.723 334 HB3 LEU 48 2HB LEU 48 6.296 1.331 -3.762 335 HG LEU 48 HG LEU 48 6.506 -1.121 -3.488 336 HD11 LEU 48 1HD1 LEU 48 8.339 -2.036 -2.647 337 HD12 LEU 48 2HD1 LEU 48 8.108 -1.159 -1.135 338 HD13 LEU 48 3HD1 LEU 48 9.038 -0.429 -2.444 339 HD21 LEU 48 1HD2 LEU 48 5.213 0.549 -1.936 340 HD22 LEU 48 2HD2 LEU 48 6.401 0.030 -0.740 341 HD23 LEU 48 3HD2 LEU 48 5.347 -1.157 -1.507 342 H SER 49 H SER 49 6.259 1.691 -6.118 343 HA SER 49 HA SER 49 5.036 -0.534 -7.115 344 HB2 SER 49 1HB SER 49 4.097 0.828 -8.801 345 HB3 SER 49 2HB SER 49 4.441 1.940 -7.476 346 HG SER 49 HG SER 49 5.553 3.003 -8.897 347 H LYS 50 H LYS 50 8.050 0.898 -8.180 348 HA LYS 50 HA LYS 50 8.284 -0.739 -10.528 349 HB2 LYS 50 1HB LYS 50 10.392 0.873 -9.079 350 HB3 LYS 50 2HB LYS 50 10.545 0.192 -10.694 351 HG2 LYS 50 1HG LYS 50 9.115 1.736 -11.628 352 HG3 LYS 50 2HG LYS 50 8.310 2.075 -10.094 353 HD2 LYS 50 1HD LYS 50 10.593 3.021 -9.358 354 HD3 LYS 50 2HD LYS 50 10.974 3.037 -11.082 355 HE2 LYS 50 1HE LYS 50 9.084 4.473 -11.527 356 HE3 LYS 50 2HE LYS 50 8.572 4.376 -9.842 357 HZ1 LYS 50 1HZ LYS 50 10.535 5.543 -9.169 358 HZ2 LYS 50 2HZ LYS 50 9.774 6.441 -10.384 359 HZ3 LYS 50 3HZ LYS 50 11.155 5.531 -10.743 360 H LYS 51 H LYS 51 9.770 -0.730 -7.303 361 HA LYS 51 HA LYS 51 11.620 -2.653 -7.374 362 HB2 LYS 51 1HB LYS 51 9.405 -2.425 -5.331 363 HB3 LYS 51 2HB LYS 51 10.852 -3.401 -5.109 364 HG2 LYS 51 1HG LYS 51 10.946 -0.447 -5.648 365 HG3 LYS 51 2HG LYS 51 10.862 -1.129 -4.023 366 HD2 LYS 51 1HD LYS 51 12.986 -1.890 -6.019 367 HD3 LYS 51 2HD LYS 51 13.177 -0.566 -4.867 368 HE2 LYS 51 1HE LYS 51 12.800 -2.144 -3.020 369 HE3 LYS 51 2HE LYS 51 12.656 -3.459 -4.185 370 HZ1 LYS 51 1HZ LYS 51 15.065 -1.807 -3.661 371 HZ2 LYS 51 2HZ LYS 51 14.944 -2.940 -4.911 372 HZ3 LYS 51 3HZ LYS 51 14.859 -3.447 -3.299 373 H GLU 52 H GLU 52 11.805 -4.850 -7.542 374 HA GLU 52 HA GLU 52 9.373 -6.280 -8.381 375 HB2 GLU 52 1HB GLU 52 12.202 -6.370 -9.284 376 HB3 GLU 52 2HB GLU 52 11.320 -7.891 -9.274 377 HG2 GLU 52 1HG GLU 52 10.022 -5.540 -10.534 378 HG3 GLU 52 2HG GLU 52 11.363 -6.308 -11.383 379 H PHE 53 H PHE 53 8.698 -7.996 -7.255 380 HA PHE 53 HA PHE 53 10.303 -8.829 -4.951 381 HB2 PHE 53 1HB PHE 53 7.418 -9.504 -5.549 382 HB3 PHE 53 2HB PHE 53 8.264 -9.711 -4.020 383 HD1 PHE 53 1HD PHE 53 7.029 -7.167 -6.407 384 HD2 PHE 53 2HD PHE 53 8.338 -7.987 -2.441 385 HE1 PHE 53 1HE PHE 53 6.298 -4.924 -5.706 386 HE2 PHE 53 2HE PHE 53 7.608 -5.747 -1.733 387 HZ PHE 53 HZ PHE 53 6.585 -4.212 -3.367 388 HA PRO 54 HA PRO 54 11.282 -12.405 -7.528 389 HB2 PRO 54 1HB PRO 54 13.311 -13.261 -5.941 390 HB3 PRO 54 2HB PRO 54 13.498 -11.959 -7.121 391 HG2 PRO 54 1HG PRO 54 13.057 -11.788 -4.165 392 HG3 PRO 54 2HG PRO 54 14.163 -10.853 -5.186 393 HD2 PRO 54 1HD PRO 54 11.783 -9.876 -4.342 394 HD3 PRO 54 2HD PRO 54 12.500 -9.430 -5.905 395 H GLY 55 H GLY 55 10.772 -14.556 -7.344 396 HA2 GLY 55 1HA GLY 55 9.593 -16.353 -6.514 397 HA3 GLY 55 2HA GLY 55 10.642 -16.149 -5.120 398 H LEU 56 H LEU 56 8.439 -13.620 -6.006 399 HA LEU 56 HA LEU 56 6.661 -14.411 -3.795 400 HB2 LEU 56 1HB LEU 56 7.772 -11.695 -4.455 401 HB3 LEU 56 2HB LEU 56 6.369 -11.924 -3.413 402 HG LEU 56 HG LEU 56 9.083 -13.104 -2.841 403 HD11 LEU 56 1HD1 LEU 56 7.874 -10.479 -2.030 404 HD12 LEU 56 2HD1 LEU 56 9.452 -10.789 -2.751 405 HD13 LEU 56 3HD1 LEU 56 9.136 -11.267 -1.084 406 HD21 LEU 56 1HD2 LEU 56 8.241 -13.705 -0.767 407 HD22 LEU 56 2HD2 LEU 56 6.891 -14.048 -1.849 408 HD23 LEU 56 3HD2 LEU 56 6.890 -12.577 -0.874 409 H ALA 57 H ALA 57 4.470 -13.804 -3.986 410 HA ALA 57 HA ALA 57 3.371 -14.023 -6.549 411 HB1 ALA 57 1HB ALA 57 1.815 -12.734 -4.357 412 HB2 ALA 57 2HB ALA 57 1.312 -13.947 -5.535 413 HB3 ALA 57 3HB ALA 57 2.335 -14.409 -4.175 414 H GLY 58 H GLY 58 1.979 -12.456 -7.664 415 HA2 GLY 58 1HA GLY 58 3.314 -10.114 -8.339 416 HA3 GLY 58 2HA GLY 58 1.617 -10.426 -8.671 417 H VAL 59 H VAL 59 3.877 -8.743 -6.704 418 HA VAL 59 HA VAL 59 1.924 -7.869 -4.759 419 HB VAL 59 HB VAL 59 4.761 -6.944 -5.231 420 HG11 VAL 59 1HG1 VAL 59 4.584 -5.499 -3.505 421 HG12 VAL 59 2HG1 VAL 59 2.876 -5.513 -3.949 422 HG13 VAL 59 3HG1 VAL 59 3.453 -6.523 -2.623 423 HG21 VAL 59 1HG2 VAL 59 4.583 -9.294 -4.549 424 HG22 VAL 59 2HG2 VAL 59 5.316 -8.301 -3.289 425 HG23 VAL 59 3HG2 VAL 59 3.634 -8.808 -3.144 426 H LYS 60 H LYS 60 0.406 -6.485 -5.406 427 HA LYS 60 HA LYS 60 0.982 -4.496 -7.448 428 HB2 LYS 60 1HB LYS 60 -1.531 -5.345 -6.018 429 HB3 LYS 60 2HB LYS 60 -1.488 -3.929 -7.059 430 HG2 LYS 60 1HG LYS 60 -1.070 -5.208 -8.975 431 HG3 LYS 60 2HG LYS 60 -0.613 -6.627 -8.030 432 HD2 LYS 60 1HD LYS 60 -3.378 -5.457 -7.896 433 HD3 LYS 60 2HD LYS 60 -2.923 -6.628 -9.137 434 HE2 LYS 60 1HE LYS 60 -2.559 -7.117 -6.188 435 HE3 LYS 60 2HE LYS 60 -4.012 -7.580 -7.071 436 HZ1 LYS 60 1HZ LYS 60 -1.635 -8.474 -8.374 437 HZ2 LYS 60 2HZ LYS 60 -2.996 -9.357 -7.897 438 HZ3 LYS 60 3HZ LYS 60 -1.744 -9.075 -6.795 439 H ILE 61 H ILE 61 0.972 -2.294 -7.147 440 HA ILE 61 HA ILE 61 0.964 -1.383 -4.343 441 HB ILE 61 HB ILE 61 2.557 -0.254 -6.650 442 HG12 ILE 61 1HG1 ILE 61 3.544 -2.323 -5.960 443 HG13 ILE 61 2HG1 ILE 61 4.507 -1.031 -5.253 444 HG21 ILE 61 1HG2 ILE 61 3.521 1.271 -5.082 445 HG22 ILE 61 2HG2 ILE 61 1.768 1.407 -4.963 446 HG23 ILE 61 3HG2 ILE 61 2.667 0.512 -3.738 447 HD11 ILE 61 1HD1 ILE 61 2.426 -2.678 -3.837 448 HD12 ILE 61 2HD1 ILE 61 4.176 -2.813 -3.661 449 HD13 ILE 61 3HD1 ILE 61 3.344 -1.354 -3.121 450 H ALA 62 H ALA 62 -0.931 -0.406 -4.002 451 HA ALA 62 HA ALA 62 -1.866 1.540 -6.011 452 HB1 ALA 62 1HB ALA 62 -4.149 1.114 -4.888 453 HB2 ALA 62 2HB ALA 62 -3.518 -0.093 -6.009 454 HB3 ALA 62 3HB ALA 62 -3.395 -0.356 -4.270 455 H GLU 63 H GLU 63 -3.576 3.065 -4.799 456 HA GLU 63 HA GLU 63 -2.658 3.840 -2.157 457 HB2 GLU 63 1HB GLU 63 -1.736 5.871 -2.674 458 HB3 GLU 63 2HB GLU 63 -1.274 4.968 -4.109 459 HG2 GLU 63 1HG GLU 63 -2.083 6.936 -4.989 460 HG3 GLU 63 2HG GLU 63 -3.477 5.864 -5.104 461 H VAL 64 H VAL 64 -4.011 5.505 -1.183 462 HA VAL 64 HA VAL 64 -6.550 6.040 -2.520 463 HB VAL 64 HB VAL 64 -6.346 4.605 0.128 464 HG11 VAL 64 1HG1 VAL 64 -8.783 4.778 0.244 465 HG12 VAL 64 2HG1 VAL 64 -8.025 6.372 0.257 466 HG13 VAL 64 3HG1 VAL 64 -8.784 5.768 -1.217 467 HG21 VAL 64 1HG2 VAL 64 -8.002 3.729 -2.197 468 HG22 VAL 64 2HG2 VAL 64 -6.269 3.402 -2.188 469 HG23 VAL 64 3HG2 VAL 64 -7.292 2.770 -0.898 470 H ASP 65 H ASP 65 -7.035 8.109 -2.252 471 HA ASP 65 HA ASP 65 -5.623 9.729 -0.348 472 HB2 ASP 65 1HB ASP 65 -7.588 10.226 -2.540 473 HB3 ASP 65 2HB ASP 65 -7.373 11.470 -1.314 474 H CYS 66 H CYS 66 -6.297 10.474 1.576 475 HA CYS 66 HA CYS 66 -8.782 9.421 2.644 476 HB2 CYS 66 1HB CYS 66 -6.441 10.875 3.865 477 HB3 CYS 66 2HB CYS 66 -7.912 10.545 4.775 478 H THR 67 H THR 67 -9.020 11.424 0.610 479 HA THR 67 HA THR 67 -10.441 13.482 2.157 480 HB THR 67 HB THR 67 -9.820 15.150 0.389 481 HG1 THR 67 1HG THR 67 -7.742 13.342 -0.292 482 HG21 THR 67 1HG2 THR 67 -7.834 13.926 2.256 483 HG22 THR 67 2HG2 THR 67 -8.626 15.498 2.334 484 HG23 THR 67 3HG2 THR 67 -7.321 15.225 1.179 485 H ALA 68 H ALA 68 -10.171 11.559 -0.750 486 HA ALA 68 HA ALA 68 -12.845 12.451 -1.594 487 HB1 ALA 68 1HB ALA 68 -10.442 11.926 -3.042 488 HB2 ALA 68 2HB ALA 68 -11.699 10.812 -3.582 489 HB3 ALA 68 3HB ALA 68 -11.982 12.553 -3.634 490 H GLU 69 H GLU 69 -10.922 9.659 -0.712 491 HA GLU 69 HA GLU 69 -13.296 7.945 -1.002 492 HB2 GLU 69 1HB GLU 69 -10.349 7.317 -0.945 493 HB3 GLU 69 2HB GLU 69 -11.571 6.072 -0.724 494 HG2 GLU 69 1HG GLU 69 -12.488 6.529 -2.910 495 HG3 GLU 69 2HG GLU 69 -11.361 7.866 -3.132 496 H ARG 70 H ARG 70 -12.892 9.791 1.199 497 HA ARG 70 HA ARG 70 -11.871 8.946 3.530 498 HB2 ARG 70 1HB ARG 70 -14.723 9.917 3.294 499 HB3 ARG 70 2HB ARG 70 -13.671 10.057 4.697 500 HG2 ARG 70 1HG ARG 70 -12.146 11.375 3.004 501 HG3 ARG 70 2HG ARG 70 -13.682 11.614 2.169 502 HD2 ARG 70 1HD ARG 70 -13.148 12.280 5.062 503 HD3 ARG 70 2HD ARG 70 -13.157 13.442 3.737 504 HE ARG 70 HE ARG 70 -15.586 11.911 4.002 505 HH11 ARG 70 2HH1 ARG 70 -13.860 14.782 4.950 506 HH12 ARG 70 1HH1 ARG 70 -15.292 15.664 5.364 507 HH21 ARG 70 2HH2 ARG 70 -17.479 13.062 4.545 508 HH22 ARG 70 1HH2 ARG 70 -17.350 14.684 5.134 509 H ASN 71 H ASN 71 -14.953 7.777 2.194 510 HA ASN 71 HA ASN 71 -15.949 6.157 4.066 511 HB2 ASN 71 1HB ASN 71 -15.672 5.815 1.119 512 HB3 ASN 71 2HB ASN 71 -16.241 4.434 2.052 513 HD21 ASN 71 1HD2 ASN 71 -16.793 7.940 1.942 514 HD22 ASN 71 2HD2 ASN 71 -18.516 7.841 2.019 515 H ILE 72 H ILE 72 -13.259 5.188 1.942 516 HA ILE 72 HA ILE 72 -12.819 2.717 3.294 517 HB ILE 72 HB ILE 72 -10.957 4.237 1.463 518 HG12 ILE 72 1HG1 ILE 72 -12.738 1.905 0.760 519 HG13 ILE 72 2HG1 ILE 72 -13.246 3.578 0.554 520 HG21 ILE 72 1HG2 ILE 72 -10.106 2.340 3.045 521 HG22 ILE 72 2HG2 ILE 72 -10.888 1.282 1.870 522 HG23 ILE 72 3HG2 ILE 72 -9.605 2.377 1.355 523 HD11 ILE 72 1HD1 ILE 72 -12.350 2.463 -1.494 524 HD12 ILE 72 2HD1 ILE 72 -11.552 3.974 -1.057 525 HD13 ILE 72 3HD1 ILE 72 -10.772 2.432 -0.707 526 H CYS 73 H CYS 73 -10.657 5.544 3.017 527 HA CYS 73 HA CYS 73 -8.772 4.976 4.846 528 HB2 CYS 73 1HB CYS 73 -10.082 7.525 4.051 529 HB3 CYS 73 2HB CYS 73 -9.045 7.563 5.473 530 H SER 74 H SER 74 -11.762 6.715 5.727 531 HA SER 74 HA SER 74 -11.404 6.741 8.467 532 HB2 SER 74 1HB SER 74 -13.180 8.022 7.453 533 HB3 SER 74 2HB SER 74 -13.968 6.555 6.872 534 HG SER 74 HG SER 74 -14.691 7.651 8.955 535 H LYS 75 H LYS 75 -12.885 4.234 6.452 536 HA LYS 75 HA LYS 75 -13.828 2.539 8.431 537 HB2 LYS 75 1HB LYS 75 -14.243 2.259 6.003 538 HB3 LYS 75 2HB LYS 75 -12.579 1.728 5.799 539 HG2 LYS 75 1HG LYS 75 -13.129 -0.109 7.470 540 HG3 LYS 75 2HG LYS 75 -14.819 0.337 7.226 541 HD2 LYS 75 1HD LYS 75 -13.140 -0.142 4.821 542 HD3 LYS 75 2HD LYS 75 -13.639 -1.541 5.774 543 HE2 LYS 75 1HE LYS 75 -15.565 0.555 4.796 544 HE3 LYS 75 2HE LYS 75 -15.164 -0.887 3.864 545 HZ1 LYS 75 1HZ LYS 75 -16.517 -0.738 6.493 546 HZ2 LYS 75 2HZ LYS 75 -15.865 -2.179 5.893 547 HZ3 LYS 75 3HZ LYS 75 -17.108 -1.398 5.052 548 H TYR 76 H TYR 76 -10.564 3.039 7.283 549 HA TYR 76 HA TYR 76 -9.582 0.837 8.944 550 HB2 TYR 76 1HB TYR 76 -8.269 2.539 6.826 551 HB3 TYR 76 2HB TYR 76 -7.366 1.421 7.842 552 HD1 TYR 76 2HD TYR 76 -9.936 1.680 5.213 553 HD2 TYR 76 1HD TYR 76 -7.443 -0.938 7.456 554 HE1 TYR 76 2HE TYR 76 -10.466 -0.149 3.656 555 HE2 TYR 76 1HE TYR 76 -7.965 -2.774 5.906 556 HH TYR 76 HH TYR 76 -9.937 -2.237 3.020 557 H SER 77 H SER 77 -10.649 3.354 10.046 558 HA SER 77 HA SER 77 -10.067 5.101 11.436 559 HB2 SER 77 1HB SER 77 -8.697 2.639 12.480 560 HB3 SER 77 2HB SER 77 -8.547 4.173 13.338 561 HG SER 77 HG SER 77 -10.313 2.939 14.102 562 H VAL 78 H VAL 78 -8.587 5.322 9.108 563 HA VAL 78 HA VAL 78 -5.791 5.562 9.613 564 HB VAL 78 HB VAL 78 -7.478 6.755 7.408 565 HG11 VAL 78 1HG1 VAL 78 -4.793 7.301 8.152 566 HG12 VAL 78 2HG1 VAL 78 -4.771 6.390 6.642 567 HG13 VAL 78 3HG1 VAL 78 -5.688 7.892 6.754 568 HG21 VAL 78 1HG2 VAL 78 -6.507 4.916 6.059 569 HG22 VAL 78 2HG2 VAL 78 -5.790 4.259 7.529 570 HG23 VAL 78 3HG2 VAL 78 -7.543 4.347 7.366 571 H ARG 79 H ARG 79 -5.422 6.872 11.376 572 HA ARG 79 HA ARG 79 -6.337 9.661 11.170 573 HB2 ARG 79 1HB ARG 79 -5.971 9.831 13.570 574 HB3 ARG 79 2HB ARG 79 -7.030 8.472 13.215 575 HG2 ARG 79 1HG ARG 79 -5.649 7.489 14.725 576 HG3 ARG 79 2HG ARG 79 -4.749 7.143 13.247 577 HD2 ARG 79 1HD ARG 79 -3.647 9.477 13.783 578 HD3 ARG 79 2HD ARG 79 -4.167 9.090 15.423 579 HE ARG 79 HE ARG 79 -2.785 6.910 14.241 580 HH11 ARG 79 2HH1 ARG 79 -2.301 10.026 15.715 581 HH12 ARG 79 1HH1 ARG 79 -0.703 9.659 16.274 582 HH21 ARG 79 2HH2 ARG 79 -0.681 6.414 14.972 583 HH22 ARG 79 1HH2 ARG 79 0.218 7.605 15.850 584 H GLY 80 H GLY 80 -3.528 7.594 11.614 585 HA2 GLY 80 1HA GLY 80 -1.774 9.950 11.617 586 HA3 GLY 80 2HA GLY 80 -1.297 8.316 12.051 587 H TYR 81 H TYR 81 -1.207 10.655 9.666 588 HA TYR 81 HA TYR 81 -0.694 8.675 7.552 589 HB2 TYR 81 1HB TYR 81 -0.905 11.595 6.967 590 HB3 TYR 81 2HB TYR 81 -1.364 10.217 5.972 591 HD1 TYR 81 2HD TYR 81 -2.351 12.041 9.069 592 HD2 TYR 81 1HD TYR 81 -3.602 9.594 5.819 593 HE1 TYR 81 2HE TYR 81 -4.693 12.329 9.761 594 HE2 TYR 81 1HE TYR 81 -5.948 9.877 6.502 595 HH TYR 81 HH TYR 81 -6.806 11.565 9.474 596 HA PRO 82 HA PRO 82 0.184 8.918 5.426 597 HB2 PRO 82 1HB PRO 82 2.148 7.246 4.575 598 HB3 PRO 82 2HB PRO 82 2.044 8.940 4.076 599 HG2 PRO 82 1HG PRO 82 3.755 7.689 6.191 600 HG3 PRO 82 2HG PRO 82 4.185 8.914 4.984 601 HD2 PRO 82 1HD PRO 82 3.628 9.539 7.559 602 HD3 PRO 82 2HD PRO 82 3.255 10.630 6.210 603 H THR 83 H THR 83 -0.539 6.727 5.059 604 HA THR 83 HA THR 83 -0.094 4.931 7.353 605 HB THR 83 HB THR 83 -2.712 5.523 5.962 606 HG1 THR 83 1HG THR 83 -1.760 5.892 8.623 607 HG21 THR 83 1HG2 THR 83 -2.341 3.083 6.473 608 HG22 THR 83 2HG2 THR 83 -3.733 3.813 7.273 609 HG23 THR 83 3HG2 THR 83 -2.245 3.529 8.175 610 H LEU 84 H LEU 84 0.139 2.782 6.917 611 HA LEU 84 HA LEU 84 -0.182 1.907 4.131 612 HB2 LEU 84 1HB LEU 84 2.139 1.061 5.839 613 HB3 LEU 84 2HB LEU 84 1.911 0.814 4.110 614 HG LEU 84 HG LEU 84 2.354 3.510 5.385 615 HD11 LEU 84 1HD1 LEU 84 4.225 1.578 5.341 616 HD12 LEU 84 2HD1 LEU 84 4.585 3.296 5.174 617 HD13 LEU 84 3HD1 LEU 84 4.463 2.277 3.740 618 HD21 LEU 84 1HD2 LEU 84 2.408 4.391 3.271 619 HD22 LEU 84 2HD2 LEU 84 1.194 3.129 3.060 620 HD23 LEU 84 3HD2 LEU 84 2.852 2.857 2.522 621 H LEU 85 H LEU 85 -0.956 -0.135 3.853 622 HA LEU 85 HA LEU 85 -1.082 -1.969 6.103 623 HB2 LEU 85 1HB LEU 85 -3.558 -0.958 4.712 624 HB3 LEU 85 2HB LEU 85 -3.511 -2.296 5.858 625 HG LEU 85 HG LEU 85 -2.770 0.546 6.544 626 HD11 LEU 85 1HD1 LEU 85 -5.372 -0.808 6.375 627 HD12 LEU 85 2HD1 LEU 85 -4.978 0.910 6.344 628 HD13 LEU 85 3HD1 LEU 85 -5.066 0.055 7.883 629 HD21 LEU 85 1HD2 LEU 85 -3.619 -1.025 8.751 630 HD22 LEU 85 2HD2 LEU 85 -2.036 -0.305 8.456 631 HD23 LEU 85 3HD2 LEU 85 -2.388 -1.932 7.873 632 H LEU 86 H LEU 86 -0.822 -4.009 5.444 633 HA LEU 86 HA LEU 86 -0.806 -4.538 2.576 634 HB2 LEU 86 1HB LEU 86 1.139 -5.180 3.913 635 HB3 LEU 86 2HB LEU 86 0.119 -6.228 4.896 636 HG LEU 86 HG LEU 86 -0.374 -7.441 2.659 637 HD11 LEU 86 1HD1 LEU 86 1.212 -5.421 1.661 638 HD12 LEU 86 2HD1 LEU 86 0.792 -6.921 0.835 639 HD13 LEU 86 3HD1 LEU 86 2.304 -6.803 1.735 640 HD21 LEU 86 1HD2 LEU 86 2.423 -7.726 3.713 641 HD22 LEU 86 2HD2 LEU 86 1.336 -8.978 3.110 642 HD23 LEU 86 3HD2 LEU 86 1.016 -8.204 4.662 643 H PHE 87 H PHE 87 -1.955 -6.223 1.608 644 HA PHE 87 HA PHE 87 -3.993 -7.561 3.234 645 HB2 PHE 87 1HB PHE 87 -4.551 -6.066 0.664 646 HB3 PHE 87 2HB PHE 87 -5.708 -7.088 1.510 647 HD1 PHE 87 1HD PHE 87 -3.800 -3.947 1.669 648 HD2 PHE 87 2HD PHE 87 -6.866 -6.312 3.434 649 HE1 PHE 87 1HE PHE 87 -4.500 -2.018 3.026 650 HE2 PHE 87 2HE PHE 87 -7.572 -4.387 4.794 651 HZ PHE 87 HZ PHE 87 -6.390 -2.237 4.591 652 H ARG 88 H ARG 88 -3.843 -9.671 2.911 653 HA ARG 88 HA ARG 88 -3.033 -10.634 0.245 654 HB2 ARG 88 1HB ARG 88 -1.258 -10.944 1.950 655 HB3 ARG 88 2HB ARG 88 -2.376 -11.908 2.906 656 HG2 ARG 88 1HG ARG 88 -2.488 -13.576 1.159 657 HG3 ARG 88 2HG ARG 88 -1.456 -12.590 0.122 658 HD2 ARG 88 1HD ARG 88 0.434 -13.050 1.332 659 HD3 ARG 88 2HD ARG 88 -0.460 -13.317 2.828 660 HE ARG 88 HE ARG 88 -1.160 -15.350 1.063 661 HH11 ARG 88 2HH1 ARG 88 1.666 -14.215 2.749 662 HH12 ARG 88 1HH1 ARG 88 2.395 -15.783 2.854 663 HH21 ARG 88 2HH2 ARG 88 -0.212 -17.421 1.195 664 HH22 ARG 88 1HH2 ARG 88 1.325 -17.606 1.969 665 H GLY 89 H GLY 89 -4.776 -11.481 -0.695 666 HA2 GLY 89 1HA GLY 89 -6.259 -13.331 -0.932 667 HA3 GLY 89 2HA GLY 89 -6.334 -13.457 0.820 668 H GLY 90 H GLY 90 -6.656 -10.406 0.840 669 HA2 GLY 90 1HA GLY 90 -8.540 -9.042 -0.120 670 HA3 GLY 90 2HA GLY 90 -9.548 -10.440 0.228 671 H LYS 91 H LYS 91 -7.173 -10.002 2.575 672 HA LYS 91 HA LYS 91 -8.926 -8.345 4.249 673 HB2 LYS 91 1HB LYS 91 -7.786 -11.048 4.950 674 HB3 LYS 91 2HB LYS 91 -8.349 -9.915 6.169 675 HG2 LYS 91 1HG LYS 91 -10.130 -10.758 3.917 676 HG3 LYS 91 2HG LYS 91 -9.945 -11.757 5.360 677 HD2 LYS 91 1HD LYS 91 -10.661 -8.841 5.511 678 HD3 LYS 91 2HD LYS 91 -11.885 -10.101 5.333 679 HE2 LYS 91 1HE LYS 91 -11.477 -10.977 7.429 680 HE3 LYS 91 2HE LYS 91 -9.837 -10.332 7.494 681 HZ1 LYS 91 1HZ LYS 91 -10.603 -8.597 8.605 682 HZ2 LYS 91 2HZ LYS 91 -12.177 -9.211 8.537 683 HZ3 LYS 91 3HZ LYS 91 -11.618 -8.182 7.317 684 H LYS 92 H LYS 92 -7.799 -7.589 6.250 685 HA LYS 92 HA LYS 92 -5.318 -6.398 5.564 686 HB2 LYS 92 1HB LYS 92 -5.409 -5.331 7.680 687 HB3 LYS 92 2HB LYS 92 -7.074 -5.453 7.125 688 HG2 LYS 92 1HG LYS 92 -7.091 -7.650 8.519 689 HG3 LYS 92 2HG LYS 92 -5.697 -6.924 9.324 690 HD2 LYS 92 1HD LYS 92 -8.253 -5.394 8.959 691 HD3 LYS 92 2HD LYS 92 -8.043 -6.510 10.310 692 HE2 LYS 92 1HE LYS 92 -6.381 -5.232 11.279 693 HE3 LYS 92 2HE LYS 92 -5.950 -4.452 9.758 694 HZ1 LYS 92 1HZ LYS 92 -7.533 -2.889 10.007 695 HZ2 LYS 92 2HZ LYS 92 -7.379 -3.266 11.649 696 HZ3 LYS 92 3HZ LYS 92 -8.637 -3.940 10.742 697 H VAL 93 H VAL 93 -3.250 -6.819 6.250 698 HA VAL 93 HA VAL 93 -2.844 -9.445 7.523 699 HB VAL 93 HB VAL 93 -0.940 -7.909 5.747 700 HG11 VAL 93 1HG1 VAL 93 -0.082 -10.501 5.817 701 HG12 VAL 93 2HG1 VAL 93 0.585 -9.183 6.783 702 HG13 VAL 93 3HG1 VAL 93 -0.637 -10.252 7.473 703 HG21 VAL 93 1HG2 VAL 93 -2.687 -8.683 4.364 704 HG22 VAL 93 2HG2 VAL 93 -1.388 -9.862 4.188 705 HG23 VAL 93 3HG2 VAL 93 -2.778 -10.229 5.209 706 H SER 94 H SER 94 -1.055 -6.373 7.183 707 HA SER 94 HA SER 94 -0.871 -5.999 10.011 708 HB2 SER 94 1HB SER 94 0.836 -7.828 9.516 709 HB3 SER 94 2HB SER 94 1.742 -6.605 8.626 710 HG SER 94 HG SER 94 0.952 -5.823 11.140 711 H GLU 95 H GLU 95 -0.008 -3.976 10.576 712 HA GLU 95 HA GLU 95 0.108 -2.098 8.342 713 HB2 GLU 95 1HB GLU 95 -1.434 -1.541 10.129 714 HB3 GLU 95 2HB GLU 95 -0.146 -1.656 11.320 715 HG2 GLU 95 1HG GLU 95 0.869 0.314 10.589 716 HG3 GLU 95 2HG GLU 95 -0.009 0.303 9.060 717 H HIS 96 H HIS 96 1.982 -1.390 7.590 718 HA HIS 96 HA HIS 96 4.472 -2.111 8.668 719 HB2 HIS 96 1HB HIS 96 3.932 -1.431 6.268 720 HB3 HIS 96 2HB HIS 96 4.022 0.236 6.826 721 HD1 HIS 96 1HD HIS 96 6.488 0.327 8.479 722 HD2 HIS 96 2HD HIS 96 6.257 -1.919 4.992 723 HE1 HIS 96 1HE HIS 96 8.866 0.015 7.721 724 HE2 HIS 96 2HE HIS 96 8.695 -1.274 5.564 725 H SER 97 H SER 97 4.896 -1.491 10.724 726 HA SER 97 HA SER 97 4.671 1.368 11.376 727 HB2 SER 97 1HB SER 97 4.754 -1.092 13.126 728 HB3 SER 97 2HB SER 97 4.928 0.541 13.768 729 HG SER 97 HG SER 97 2.733 -0.268 12.171 730 H GLY 98 H GLY 98 6.676 1.605 10.050 731 HA2 GLY 98 1HA GLY 98 8.926 1.899 11.742 732 HA3 GLY 98 2HA GLY 98 9.138 0.485 10.719 733 H GLY 99 H GLY 99 11.014 1.739 9.941 734 HA2 GLY 99 1HA GLY 99 11.067 4.146 8.694 735 HA3 GLY 99 2HA GLY 99 11.965 2.758 8.098 736 H ARG 100 H ARG 100 9.954 5.103 7.137 737 HA ARG 100 HA ARG 100 8.374 3.458 5.307 738 HB2 ARG 100 1HB ARG 100 8.311 6.416 5.923 739 HB3 ARG 100 2HB ARG 100 7.294 5.643 4.715 740 HG2 ARG 100 1HG ARG 100 6.410 4.174 6.553 741 HG3 ARG 100 2HG ARG 100 7.269 5.214 7.689 742 HD2 ARG 100 1HD ARG 100 5.989 7.106 6.346 743 HD3 ARG 100 2HD ARG 100 4.874 5.779 6.024 744 HE ARG 100 HE ARG 100 4.240 5.803 8.238 745 HH11 ARG 100 2HH1 ARG 100 7.049 7.808 7.787 746 HH12 ARG 100 1HH1 ARG 100 6.962 8.512 9.368 747 HH21 ARG 100 2HH2 ARG 100 4.114 6.722 10.322 748 HH22 ARG 100 1HH2 ARG 100 5.292 7.893 10.809 749 H ASP 101 H ASP 101 11.188 3.540 4.911 750 HA ASP 101 HA ASP 101 11.621 5.322 2.648 751 HB2 ASP 101 1HB ASP 101 13.551 3.267 3.723 752 HB3 ASP 101 2HB ASP 101 13.914 4.700 2.766 753 H LEU 102 H LEU 102 12.407 4.509 0.599 754 HA LEU 102 HA LEU 102 10.791 2.708 -0.652 755 HB2 LEU 102 1HB LEU 102 12.101 4.027 -2.041 756 HB3 LEU 102 2HB LEU 102 13.593 3.593 -1.207 757 HG LEU 102 HG LEU 102 13.484 1.352 -2.219 758 HD11 LEU 102 1HD1 LEU 102 11.079 1.167 -2.491 759 HD12 LEU 102 2HD1 LEU 102 11.896 0.926 -4.034 760 HD13 LEU 102 3HD1 LEU 102 11.097 2.460 -3.689 761 HD21 LEU 102 1HD2 LEU 102 14.591 3.407 -3.289 762 HD22 LEU 102 2HD2 LEU 102 13.231 3.381 -4.413 763 HD23 LEU 102 3HD2 LEU 102 14.312 1.991 -4.303 764 H ASP 103 H ASP 103 14.154 1.923 0.250 765 HA ASP 103 HA ASP 103 13.908 -0.838 -0.153 766 HB2 ASP 103 1HB ASP 103 15.813 0.806 1.508 767 HB3 ASP 103 2HB ASP 103 15.944 -0.947 1.393 768 H SER 104 H SER 104 13.606 1.094 2.809 769 HA SER 104 HA SER 104 13.238 -0.986 4.621 770 HB2 SER 104 1HB SER 104 12.283 1.870 4.585 771 HB3 SER 104 2HB SER 104 11.878 0.787 5.917 772 HG SER 104 HG SER 104 13.846 2.075 6.169 773 H LEU 105 H LEU 105 11.115 0.267 2.209 774 HA LEU 105 HA LEU 105 8.720 -0.852 3.379 775 HB2 LEU 105 1HB LEU 105 9.370 0.613 0.857 776 HB3 LEU 105 2HB LEU 105 7.843 -0.256 0.998 777 HG LEU 105 HG LEU 105 8.733 1.919 2.887 778 HD11 LEU 105 1HD1 LEU 105 8.190 3.384 1.314 779 HD12 LEU 105 2HD1 LEU 105 6.540 2.767 1.371 780 HD13 LEU 105 3HD1 LEU 105 7.692 2.096 0.217 781 HD21 LEU 105 1HD2 LEU 105 6.859 1.540 4.047 782 HD22 LEU 105 2HD2 LEU 105 6.842 -0.029 3.242 783 HD23 LEU 105 3HD2 LEU 105 5.894 1.308 2.589 784 H HIS 106 H HIS 106 11.020 -1.667 0.844 785 HA HIS 106 HA HIS 106 9.593 -3.798 -0.312 786 HB2 HIS 106 1HB HIS 106 11.793 -2.565 -1.060 787 HB3 HIS 106 2HB HIS 106 12.582 -3.851 -0.150 788 HD1 HIS 106 1HD HIS 106 13.254 -5.712 -1.613 789 HD2 HIS 106 2HD HIS 106 9.764 -3.896 -2.952 790 HE1 HIS 106 1HE HIS 106 12.602 -6.962 -3.696 791 HE2 HIS 106 2HE HIS 106 10.536 -5.791 -4.535 792 H ARG 107 H ARG 107 12.163 -3.828 2.158 793 HA ARG 107 HA ARG 107 12.324 -6.526 2.639 794 HB2 ARG 107 1HB ARG 107 13.056 -5.941 4.924 795 HB3 ARG 107 2HB ARG 107 13.821 -4.938 3.698 796 HG2 ARG 107 1HG ARG 107 12.035 -3.212 4.197 797 HG3 ARG 107 2HG ARG 107 11.632 -4.188 5.610 798 HD2 ARG 107 1HD ARG 107 13.158 -2.418 6.238 799 HD3 ARG 107 2HD ARG 107 13.959 -3.982 6.387 800 HE ARG 107 HE ARG 107 14.385 -2.596 3.881 801 HH11 ARG 107 2HH1 ARG 107 15.541 -3.232 7.102 802 HH12 ARG 107 1HH1 ARG 107 17.178 -2.793 6.742 803 HH21 ARG 107 2HH2 ARG 107 16.536 -2.016 3.394 804 HH22 ARG 107 1HH2 ARG 107 17.742 -2.100 4.632 805 H PHE 108 H PHE 108 10.053 -4.216 4.095 806 HA PHE 108 HA PHE 108 8.761 -5.833 5.896 807 HB2 PHE 108 1HB PHE 108 8.236 -3.480 5.730 808 HB3 PHE 108 2HB PHE 108 7.586 -3.697 4.109 809 HD1 PHE 108 1HD PHE 108 7.032 -4.451 7.678 810 HD2 PHE 108 2HD PHE 108 5.356 -4.384 3.765 811 HE1 PHE 108 1HE PHE 108 4.796 -4.834 8.632 812 HE2 PHE 108 2HE PHE 108 3.118 -4.765 4.713 813 HZ PHE 108 HZ PHE 108 2.835 -4.990 7.149 814 H VAL 109 H VAL 109 7.642 -5.270 2.553 815 HA VAL 109 HA VAL 109 5.652 -7.218 2.530 816 HB VAL 109 HB VAL 109 7.306 -6.090 0.274 817 HG11 VAL 109 1HG1 VAL 109 5.439 -7.006 -1.179 818 HG12 VAL 109 2HG1 VAL 109 6.596 -8.182 -0.553 819 HG13 VAL 109 3HG1 VAL 109 5.006 -8.025 0.194 820 HG21 VAL 109 1HG2 VAL 109 4.463 -5.582 1.150 821 HG22 VAL 109 2HG2 VAL 109 5.836 -4.512 1.434 822 HG23 VAL 109 3HG2 VAL 109 5.281 -4.815 -0.213 823 H LEU 110 H LEU 110 9.028 -7.456 1.424 824 HA LEU 110 HA LEU 110 9.009 -10.064 0.508 825 HB2 LEU 110 1HB LEU 110 11.208 -8.570 1.926 826 HB3 LEU 110 2HB LEU 110 11.431 -10.093 1.067 827 HG LEU 110 HG LEU 110 10.373 -7.651 -0.323 828 HD11 LEU 110 1HD1 LEU 110 12.969 -7.738 -1.074 829 HD12 LEU 110 2HD1 LEU 110 13.102 -8.180 0.627 830 HD13 LEU 110 3HD1 LEU 110 12.329 -6.662 0.169 831 HD21 LEU 110 1HD2 LEU 110 10.911 -10.348 -1.052 832 HD22 LEU 110 2HD2 LEU 110 12.043 -9.301 -1.909 833 HD23 LEU 110 3HD2 LEU 110 10.305 -9.031 -2.058 834 H SER 111 H SER 111 9.436 -8.873 3.809 835 HA SER 111 HA SER 111 9.818 -11.522 4.882 836 HB2 SER 111 1HB SER 111 9.380 -8.863 6.262 837 HB3 SER 111 2HB SER 111 9.795 -10.369 7.080 838 HG SER 111 HG SER 111 11.427 -9.547 4.974 839 H GLN 112 H GLN 112 7.174 -9.347 4.338 840 HA GLN 112 HA GLN 112 5.346 -10.520 6.173 841 HB2 GLN 112 1HB GLN 112 5.151 -8.613 3.890 842 HB3 GLN 112 2HB GLN 112 3.676 -9.390 4.448 843 HG2 GLN 112 1HG GLN 112 5.536 -7.647 6.043 844 HG3 GLN 112 2HG GLN 112 3.885 -7.284 5.544 845 HE21 GLN 112 1HE2 GLN 112 5.301 -7.564 8.204 846 HE22 GLN 112 2HE2 GLN 112 4.276 -8.614 9.116 847 H ALA 113 H ALA 113 5.525 -10.709 2.614 848 HA ALA 113 HA ALA 113 3.727 -12.962 2.561 849 HB1 ALA 113 1HB ALA 113 3.782 -12.786 0.224 850 HB2 ALA 113 2HB ALA 113 3.902 -11.123 0.800 851 HB3 ALA 113 3HB ALA 113 5.343 -11.966 0.235 852 H LYS 114 H LYS 114 5.835 -13.657 4.135 853 HA LYS 114 HA LYS 114 7.154 -15.714 2.503 854 HB2 LYS 114 1HB LYS 114 8.595 -13.629 3.248 855 HB3 LYS 114 2HB LYS 114 8.649 -14.489 4.782 856 HG2 LYS 114 1HG LYS 114 9.945 -16.170 3.957 857 HG3 LYS 114 2HG LYS 114 9.312 -16.003 2.317 858 HD2 LYS 114 1HD LYS 114 10.558 -13.857 2.122 859 HD3 LYS 114 2HD LYS 114 11.275 -14.177 3.703 860 HE2 LYS 114 1HE LYS 114 12.901 -15.005 2.307 861 HE3 LYS 114 2HE LYS 114 11.944 -16.455 2.604 862 HZ1 LYS 114 1HZ LYS 114 12.089 -14.794 0.179 863 HZ2 LYS 114 2HZ LYS 114 10.693 -15.698 0.489 864 HZ3 LYS 114 3HZ LYS 114 12.186 -16.478 0.331 865 H ASP 115 H ASP 115 5.804 -17.326 3.238 866 HA ASP 115 HA ASP 115 5.500 -17.731 6.106 867 HB2 ASP 115 1HB ASP 115 3.667 -18.041 4.265 868 HB3 ASP 115 2HB ASP 115 4.431 -19.610 4.028 869 H GLU 116 H GLU 116 8.134 -17.998 5.106 870 HA GLU 116 HA GLU 116 8.579 -20.877 5.548 871 HB2 GLU 116 1HB GLU 116 10.222 -19.031 3.807 872 HB3 GLU 116 2HB GLU 116 10.572 -20.724 4.120 873 HG2 GLU 116 1HG GLU 116 7.916 -20.032 2.993 874 HG3 GLU 116 2HG GLU 116 9.324 -19.936 1.937 875 H LEU 117 H LEU 117 8.955 -20.705 7.738 876 HA LEU 117 HA LEU 117 10.800 -18.764 8.796 877 HB2 LEU 117 1HB LEU 117 9.092 -20.929 9.891 878 HB3 LEU 117 2HB LEU 117 10.489 -20.436 10.845 879 HG LEU 117 HG LEU 117 9.563 -18.065 10.666 880 HD11 LEU 117 1HD1 LEU 117 6.975 -19.464 10.076 881 HD12 LEU 117 2HD1 LEU 117 7.968 -18.754 8.804 882 HD13 LEU 117 3HD1 LEU 117 7.318 -17.734 10.088 883 HD21 LEU 117 1HD2 LEU 117 8.248 -20.274 12.218 884 HD22 LEU 117 2HD2 LEU 117 7.803 -18.582 12.443 885 HD23 LEU 117 3HD2 LEU 117 9.457 -19.110 12.761
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