NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
13577 | 1v5q | 10109 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 0.304 -27.603 -2.428 2 HA2 GLY 1 1HA GLY 1 1.162 -25.754 -0.897 3 HA3 GLY 1 2HA GLY 1 2.175 -27.015 -0.223 4 H SER 2 H SER 2 3.609 -28.261 -1.804 5 HA SER 2 HA SER 2 4.735 -26.317 -3.611 6 HB2 SER 2 1HB SER 2 5.720 -28.967 -2.490 7 HB3 SER 2 2HB SER 2 6.581 -28.134 -3.769 8 HG SER 2 HG SER 2 6.289 -26.202 -2.094 9 H SER 3 H SER 3 4.834 -26.585 -5.869 10 HA SER 3 HA SER 3 3.542 -29.010 -6.851 11 HB2 SER 3 1HB SER 3 2.810 -26.230 -7.230 12 HB3 SER 3 2HB SER 3 3.255 -26.914 -8.780 13 HG SER 3 HG SER 3 1.017 -27.272 -8.392 14 H GLY 4 H GLY 4 5.622 -30.035 -7.164 15 HA2 GLY 4 1HA GLY 4 6.846 -30.428 -9.309 16 HA3 GLY 4 2HA GLY 4 7.318 -28.743 -9.215 17 H SER 5 H SER 5 9.186 -30.931 -9.285 18 HA SER 5 HA SER 5 10.054 -31.943 -6.976 19 HB2 SER 5 1HB SER 5 11.610 -30.830 -9.337 20 HB3 SER 5 2HB SER 5 12.429 -31.624 -8.007 21 HG SER 5 HG SER 5 10.787 -32.715 -10.029 22 H SER 6 H SER 6 10.162 -30.883 -5.015 23 HA SER 6 HA SER 6 10.983 -28.143 -4.978 24 HB2 SER 6 1HB SER 6 9.824 -30.100 -3.016 25 HB3 SER 6 2HB SER 6 10.737 -28.758 -2.354 26 HG SER 6 HG SER 6 8.655 -28.354 -4.312 27 H GLY 7 H GLY 7 12.664 -27.468 -3.216 28 HA2 GLY 7 1HA GLY 7 14.516 -28.783 -1.934 29 HA3 GLY 7 2HA GLY 7 15.018 -29.182 -3.564 30 H ALA 8 H ALA 8 16.486 -27.832 -4.505 31 HA ALA 8 HA ALA 8 17.208 -25.422 -3.181 32 HB1 ALA 8 1HB ALA 8 18.230 -25.765 -5.903 33 HB2 ALA 8 2HB ALA 8 19.108 -25.730 -4.355 34 HB3 ALA 8 3HB ALA 8 18.389 -27.251 -4.937 35 H GLY 9 H GLY 9 15.249 -24.158 -3.180 36 HA2 GLY 9 1HA GLY 9 14.749 -22.888 -5.795 37 HA3 GLY 9 2HA GLY 9 13.417 -23.463 -4.812 38 H GLN 10 H GLN 10 16.048 -21.076 -5.083 39 HA GLN 10 HA GLN 10 15.425 -19.855 -2.600 40 HB2 GLN 10 1HB GLN 10 17.150 -19.015 -4.964 41 HB3 GLN 10 2HB GLN 10 16.974 -18.025 -3.529 42 HG2 GLN 10 1HG GLN 10 17.823 -19.893 -2.115 43 HG3 GLN 10 2HG GLN 10 17.958 -20.918 -3.530 44 HE21 GLN 10 1HE2 GLN 10 19.803 -19.469 -1.479 45 HE22 GLN 10 2HE2 GLN 10 21.097 -18.846 -2.447 46 H VAL 11 H VAL 11 14.560 -17.638 -2.342 47 HA VAL 11 HA VAL 11 12.781 -16.914 -4.568 48 HB VAL 11 HB VAL 11 12.256 -16.702 -1.596 49 HG11 VAL 11 1HG1 VAL 11 9.896 -16.206 -2.428 50 HG12 VAL 11 2HG1 VAL 11 11.106 -14.920 -2.654 51 HG13 VAL 11 3HG1 VAL 11 10.625 -15.941 -4.030 52 HG21 VAL 11 1HG2 VAL 11 11.558 -18.818 -1.673 53 HG22 VAL 11 2HG2 VAL 11 10.345 -18.354 -2.890 54 HG23 VAL 11 3HG2 VAL 11 11.954 -18.916 -3.405 55 H VAL 12 H VAL 12 12.184 -14.543 -4.562 56 HA VAL 12 HA VAL 12 14.598 -13.032 -4.180 57 HB VAL 12 HB VAL 12 13.081 -12.916 -6.176 58 HG11 VAL 12 1HG1 VAL 12 11.148 -11.207 -5.815 59 HG12 VAL 12 2HG1 VAL 12 10.893 -12.913 -5.375 60 HG13 VAL 12 3HG1 VAL 12 11.247 -11.711 -4.111 61 HG21 VAL 12 1HG2 VAL 12 13.260 -10.166 -4.985 62 HG22 VAL 12 2HG2 VAL 12 14.753 -11.097 -5.257 63 HG23 VAL 12 3HG2 VAL 12 13.671 -10.730 -6.622 64 H HIS 13 H HIS 13 14.490 -10.824 -3.099 65 HA HIS 13 HA HIS 13 13.114 -11.188 -0.563 66 HB2 HIS 13 1HB HIS 13 14.657 -9.546 0.313 67 HB3 HIS 13 2HB HIS 13 15.534 -10.815 -0.519 68 HD1 HIS 13 1HD HIS 13 16.586 -10.189 -2.896 69 HD2 HIS 13 2HD HIS 13 15.005 -6.976 -0.711 70 HE1 HIS 13 1HE HIS 13 17.508 -8.068 -3.975 71 H THR 14 H THR 14 12.254 -9.073 0.474 72 HA THR 14 HA THR 14 11.034 -7.385 -1.605 73 HB THR 14 HB THR 14 9.009 -7.486 0.121 74 HG1 THR 14 1HG THR 14 10.405 -8.780 1.611 75 HG21 THR 14 1HG2 THR 14 9.673 -10.004 -1.487 76 HG22 THR 14 2HG2 THR 14 8.055 -9.429 -1.017 77 HG23 THR 14 3HG2 THR 14 9.006 -8.526 -2.220 78 H GLU 15 H GLU 15 10.748 -5.209 -1.105 79 HA GLU 15 HA GLU 15 12.070 -4.449 1.383 80 HB2 GLU 15 1HB GLU 15 12.479 -3.589 -1.395 81 HB3 GLU 15 2HB GLU 15 12.168 -2.225 -0.341 82 HG2 GLU 15 1HG GLU 15 14.098 -4.323 0.635 83 HG3 GLU 15 2HG GLU 15 14.641 -3.261 -0.649 84 H THR 16 H THR 16 11.407 -1.912 1.821 85 HA THR 16 HA THR 16 8.503 -1.701 1.421 86 HB THR 16 HB THR 16 8.716 -0.752 3.931 87 HG1 THR 16 1HG THR 16 10.418 -2.157 4.941 88 HG21 THR 16 1HG2 THR 16 8.726 -3.709 3.141 89 HG22 THR 16 2HG2 THR 16 8.442 -3.148 4.807 90 HG23 THR 16 3HG2 THR 16 7.306 -2.701 3.512 91 H THR 17 H THR 17 7.697 0.348 1.083 92 HA THR 17 HA THR 17 9.710 2.497 1.097 93 HB THR 17 HB THR 17 9.227 1.513 -1.215 94 HG1 THR 17 1HG THR 17 9.123 3.688 -1.979 95 HG21 THR 17 1HG2 THR 17 6.880 1.011 -1.234 96 HG22 THR 17 2HG2 THR 17 6.464 2.562 -0.466 97 HG23 THR 17 3HG2 THR 17 7.006 2.525 -2.161 98 H GLU 18 H GLU 18 9.048 4.516 1.782 99 HA GLU 18 HA GLU 18 6.481 4.444 3.122 100 HB2 GLU 18 1HB GLU 18 8.296 5.042 4.582 101 HB3 GLU 18 2HB GLU 18 8.949 6.191 3.432 102 HG2 GLU 18 1HG GLU 18 6.215 6.943 3.941 103 HG3 GLU 18 2HG GLU 18 6.971 6.639 5.492 104 H VAL 19 H VAL 19 4.736 5.514 2.291 105 HA VAL 19 HA VAL 19 5.242 7.324 0.061 106 HB VAL 19 HB VAL 19 2.605 6.236 1.044 107 HG11 VAL 19 1HG1 VAL 19 1.679 7.172 -0.782 108 HG12 VAL 19 2HG1 VAL 19 3.148 8.177 -0.824 109 HG13 VAL 19 3HG1 VAL 19 3.042 6.712 -1.830 110 HG21 VAL 19 1HG2 VAL 19 4.801 4.771 -0.111 111 HG22 VAL 19 2HG2 VAL 19 3.199 4.186 0.397 112 HG23 VAL 19 3HG2 VAL 19 3.438 4.806 -1.255 113 H VAL 20 H VAL 20 5.256 9.485 0.378 114 HA VAL 20 HA VAL 20 3.966 10.461 2.826 115 HB VAL 20 HB VAL 20 6.459 10.723 2.471 116 HG11 VAL 20 1HG1 VAL 20 7.344 12.141 0.873 117 HG12 VAL 20 2HG1 VAL 20 6.002 11.398 -0.030 118 HG13 VAL 20 3HG1 VAL 20 5.818 13.030 0.656 119 HG21 VAL 20 1HG2 VAL 20 4.593 12.357 3.694 120 HG22 VAL 20 2HG2 VAL 20 6.359 12.452 3.898 121 HG23 VAL 20 3HG2 VAL 20 5.543 13.499 2.712 122 H LEU 21 H LEU 21 1.898 11.055 2.349 123 HA LEU 21 HA LEU 21 1.521 12.557 -0.145 124 HB2 LEU 21 1HB LEU 21 -0.536 11.053 1.476 125 HB3 LEU 21 2HB LEU 21 -0.794 11.859 -0.058 126 HG LEU 21 HG LEU 21 1.090 9.517 0.315 127 HD11 LEU 21 1HD1 LEU 21 -1.832 9.604 0.028 128 HD12 LEU 21 2HD1 LEU 21 -1.012 8.563 -1.160 129 HD13 LEU 21 3HD1 LEU 21 -0.764 8.292 0.582 130 HD21 LEU 21 1HD2 LEU 21 0.791 9.362 -2.197 131 HD22 LEU 21 2HD2 LEU 21 0.062 10.984 -2.118 132 HD23 LEU 21 3HD2 LEU 21 1.746 10.740 -1.598 133 H THR 22 H THR 22 0.832 14.657 -0.056 134 HA THR 22 HA THR 22 0.474 15.750 2.642 135 HB THR 22 HB THR 22 0.893 17.309 0.060 136 HG1 THR 22 1HG THR 22 2.586 15.741 0.135 137 HG21 THR 22 1HG2 THR 22 0.512 18.618 2.150 138 HG22 THR 22 2HG2 THR 22 1.795 17.691 2.964 139 HG23 THR 22 3HG2 THR 22 2.201 18.778 1.614 140 H ALA 23 H ALA 23 -1.562 15.839 3.353 141 HA ALA 23 HA ALA 23 -3.821 15.513 1.900 142 HB1 ALA 23 1HB ALA 23 -3.739 15.513 4.343 143 HB2 ALA 23 2HB ALA 23 -3.368 17.254 4.358 144 HB3 ALA 23 3HB ALA 23 -4.956 16.687 3.787 145 H ASP 24 H ASP 24 -4.087 16.517 -0.076 146 HA ASP 24 HA ASP 24 -3.283 19.061 -0.659 147 HB2 ASP 24 1HB ASP 24 -4.700 16.959 -1.932 148 HB3 ASP 24 2HB ASP 24 -5.771 18.341 -2.040 149 HA PRO 25 HA PRO 25 -6.475 21.584 0.979 150 HB2 PRO 25 1HB PRO 25 -6.813 23.549 -0.891 151 HB3 PRO 25 2HB PRO 25 -5.485 23.532 0.252 152 HG2 PRO 25 1HG PRO 25 -5.456 22.887 -2.633 153 HG3 PRO 25 2HG PRO 25 -4.110 23.288 -1.583 154 HD2 PRO 25 1HD PRO 25 -4.833 20.677 -2.527 155 HD3 PRO 25 2HD PRO 25 -3.559 21.064 -1.387 156 H VAL 26 H VAL 26 -7.101 19.526 -1.416 157 HA VAL 26 HA VAL 26 -9.953 20.041 -1.123 158 HB VAL 26 HB VAL 26 -10.172 19.546 -3.611 159 HG11 VAL 26 1HG1 VAL 26 -10.704 21.725 -2.732 160 HG12 VAL 26 2HG1 VAL 26 -8.982 22.165 -2.644 161 HG13 VAL 26 3HG1 VAL 26 -9.763 21.940 -4.227 162 HG21 VAL 26 1HG2 VAL 26 -8.138 18.838 -4.420 163 HG22 VAL 26 2HG2 VAL 26 -8.053 20.568 -4.829 164 HG23 VAL 26 3HG2 VAL 26 -7.211 19.952 -3.387 165 H THR 27 H THR 27 -7.548 17.900 -2.822 166 HA THR 27 HA THR 27 -9.108 15.610 -1.841 167 HB THR 27 HB THR 27 -7.733 14.456 -3.720 168 HG1 THR 27 1HG THR 27 -6.125 15.993 -4.138 169 HG21 THR 27 1HG2 THR 27 -9.723 14.805 -4.804 170 HG22 THR 27 2HG2 THR 27 -9.975 16.359 -3.973 171 HG23 THR 27 3HG2 THR 27 -8.986 16.291 -5.451 172 H GLY 28 H GLY 28 -8.090 16.180 0.329 173 HA2 GLY 28 1HA GLY 28 -5.672 16.233 1.230 174 HA3 GLY 28 2HA GLY 28 -6.782 15.035 1.866 175 H PHE 29 H PHE 29 -6.654 12.812 1.157 176 HA PHE 29 HA PHE 29 -4.108 12.230 -0.184 177 HB2 PHE 29 1HB PHE 29 -5.810 10.488 1.692 178 HB3 PHE 29 2HB PHE 29 -4.161 10.162 1.194 179 HD1 PHE 29 1HD PHE 29 -2.588 12.394 1.708 180 HD2 PHE 29 2HD PHE 29 -5.997 11.119 3.890 181 HE1 PHE 29 1HE PHE 29 -1.735 13.594 3.742 182 HE2 PHE 29 2HE PHE 29 -5.145 12.318 5.923 183 HZ PHE 29 HZ PHE 29 -3.024 13.541 5.825 184 H GLY 30 H GLY 30 -7.616 11.716 -0.086 185 HA2 GLY 30 1HA GLY 30 -9.009 10.498 -1.380 186 HA3 GLY 30 2HA GLY 30 -7.975 11.043 -2.685 187 H ILE 31 H ILE 31 -7.949 8.566 -0.016 188 HA ILE 31 HA ILE 31 -6.980 6.653 -2.020 189 HB ILE 31 HB ILE 31 -6.100 6.791 0.864 190 HG12 ILE 31 1HG1 ILE 31 -4.674 7.701 -1.651 191 HG13 ILE 31 2HG1 ILE 31 -5.222 8.716 -0.332 192 HG21 ILE 31 1HG2 ILE 31 -4.847 4.921 0.515 193 HG22 ILE 31 2HG2 ILE 31 -6.192 4.573 -0.598 194 HG23 ILE 31 3HG2 ILE 31 -4.662 5.227 -1.229 195 HD11 ILE 31 1HD1 ILE 31 -2.705 7.475 -0.556 196 HD12 ILE 31 2HD1 ILE 31 -3.367 8.269 0.894 197 HD13 ILE 31 3HD1 ILE 31 -3.567 6.514 0.670 198 H GLN 32 H GLN 32 -7.875 4.567 -1.920 199 HA GLN 32 HA GLN 32 -10.003 4.312 0.060 200 HB2 GLN 32 1HB GLN 32 -10.068 4.008 -2.910 201 HB3 GLN 32 2HB GLN 32 -10.930 2.777 -2.009 202 HG2 GLN 32 1HG GLN 32 -11.315 5.755 -1.476 203 HG3 GLN 32 2HG GLN 32 -12.273 4.884 -2.657 204 HE21 GLN 32 1HE2 GLN 32 -14.215 4.727 -1.798 205 HE22 GLN 32 2HE2 GLN 32 -14.611 4.065 -0.248 206 H LEU 33 H LEU 33 -10.253 2.258 1.038 207 HA LEU 33 HA LEU 33 -8.188 0.311 0.273 208 HB2 LEU 33 1HB LEU 33 -9.311 0.648 3.045 209 HB3 LEU 33 2HB LEU 33 -7.908 -0.273 2.542 210 HG LEU 33 HG LEU 33 -7.762 2.619 1.945 211 HD11 LEU 33 1HD1 LEU 33 -8.982 2.521 4.153 212 HD12 LEU 33 2HD1 LEU 33 -7.531 1.743 4.830 213 HD13 LEU 33 3HD1 LEU 33 -7.428 3.390 4.164 214 HD21 LEU 33 1HD2 LEU 33 -5.777 0.929 3.457 215 HD22 LEU 33 2HD2 LEU 33 -5.951 0.814 1.689 216 HD23 LEU 33 3HD2 LEU 33 -5.493 2.362 2.439 217 H GLN 34 H GLN 34 -8.786 -1.988 0.725 218 HA GLN 34 HA GLN 34 -11.667 -2.288 0.371 219 HB2 GLN 34 1HB GLN 34 -11.145 -4.358 -0.909 220 HB3 GLN 34 2HB GLN 34 -10.439 -2.934 -1.647 221 HG2 GLN 34 1HG GLN 34 -8.340 -3.768 -1.420 222 HG3 GLN 34 2HG GLN 34 -8.572 -4.037 0.296 223 HE21 GLN 34 1HE2 GLN 34 -9.209 -5.355 -2.919 224 HE22 GLN 34 2HE2 GLN 34 -9.244 -7.030 -2.481 225 H GLY 35 H GLY 35 -12.778 -3.680 1.746 226 HA2 GLY 35 1HA GLY 35 -11.552 -5.775 3.194 227 HA3 GLY 35 2HA GLY 35 -11.672 -4.353 4.211 228 H SER 36 H SER 36 -13.410 -4.581 5.555 229 HA SER 36 HA SER 36 -15.967 -4.911 4.316 230 HB2 SER 36 1HB SER 36 -14.639 -7.113 5.738 231 HB3 SER 36 2HB SER 36 -16.171 -6.701 6.480 232 HG SER 36 HG SER 36 -16.198 -8.322 4.659 233 H VAL 37 H VAL 37 -17.622 -5.144 6.492 234 HA VAL 37 HA VAL 37 -16.816 -2.834 8.105 235 HB VAL 37 HB VAL 37 -18.769 -2.311 6.971 236 HG11 VAL 37 1HG1 VAL 37 -19.702 -5.139 7.539 237 HG12 VAL 37 2HG1 VAL 37 -20.759 -3.867 6.883 238 HG13 VAL 37 3HG1 VAL 37 -19.333 -4.402 5.962 239 HG21 VAL 37 1HG2 VAL 37 -18.878 -2.018 9.488 240 HG22 VAL 37 2HG2 VAL 37 -20.444 -2.047 8.643 241 HG23 VAL 37 3HG2 VAL 37 -19.886 -3.484 9.532 242 H PHE 38 H PHE 38 -18.200 -6.164 8.227 243 HA PHE 38 HA PHE 38 -17.780 -6.119 11.123 244 HB2 PHE 38 1HB PHE 38 -19.677 -7.291 9.173 245 HB3 PHE 38 2HB PHE 38 -19.020 -8.537 10.216 246 HD1 PHE 38 2HD PHE 38 -19.413 -8.450 12.650 247 HD2 PHE 38 1HD PHE 38 -21.193 -5.633 10.023 248 HE1 PHE 38 2HE PHE 38 -21.046 -7.809 14.445 249 HE2 PHE 38 1HE PHE 38 -22.826 -4.992 11.817 250 HZ PHE 38 HZ PHE 38 -22.733 -6.087 14.007 251 H ALA 39 H ALA 39 -16.688 -7.920 12.164 252 HA ALA 39 HA ALA 39 -15.426 -9.926 10.605 253 HB1 ALA 39 1HB ALA 39 -13.771 -7.571 11.590 254 HB2 ALA 39 2HB ALA 39 -13.077 -9.142 11.121 255 HB3 ALA 39 3HB ALA 39 -13.939 -8.154 9.917 256 H THR 40 H THR 40 -13.360 -10.654 12.326 257 HA THR 40 HA THR 40 -14.854 -11.078 14.826 258 HB THR 40 HB THR 40 -12.831 -12.738 13.249 259 HG1 THR 40 1HG THR 40 -14.749 -13.784 12.833 260 HG21 THR 40 1HG2 THR 40 -14.114 -13.510 15.909 261 HG22 THR 40 2HG2 THR 40 -12.827 -14.365 15.025 262 HG23 THR 40 3HG2 THR 40 -12.476 -12.817 15.832 263 H GLU 41 H GLU 41 -11.653 -10.235 13.421 264 HA GLU 41 HA GLU 41 -11.128 -8.786 15.839 265 HB2 GLU 41 1HB GLU 41 -8.797 -9.856 16.005 266 HB3 GLU 41 2HB GLU 41 -10.144 -10.830 16.559 267 HG2 GLU 41 1HG GLU 41 -10.101 -11.582 13.931 268 HG3 GLU 41 2HG GLU 41 -8.407 -11.185 14.142 269 H THR 42 H THR 42 -9.751 -10.014 12.710 270 HA THR 42 HA THR 42 -8.654 -7.316 12.277 271 HB THR 42 HB THR 42 -6.997 -8.466 10.850 272 HG1 THR 42 1HG THR 42 -7.316 -10.752 10.524 273 HG21 THR 42 1HG2 THR 42 -7.366 -9.164 13.670 274 HG22 THR 42 2HG2 THR 42 -6.674 -10.538 12.775 275 HG23 THR 42 3HG2 THR 42 -5.847 -8.962 12.763 276 H LEU 43 H LEU 43 -8.337 -8.661 9.379 277 HA LEU 43 HA LEU 43 -11.089 -8.101 8.549 278 HB2 LEU 43 1HB LEU 43 -10.036 -6.049 8.152 279 HB3 LEU 43 2HB LEU 43 -8.561 -6.801 7.579 280 HG LEU 43 HG LEU 43 -9.637 -7.489 5.519 281 HD11 LEU 43 1HD1 LEU 43 -11.921 -7.781 6.711 282 HD12 LEU 43 2HD1 LEU 43 -12.177 -6.072 6.283 283 HD13 LEU 43 3HD1 LEU 43 -11.889 -7.276 5.004 284 HD21 LEU 43 1HD2 LEU 43 -8.683 -5.182 5.756 285 HD22 LEU 43 2HD2 LEU 43 -9.912 -5.359 4.481 286 HD23 LEU 43 3HD2 LEU 43 -10.340 -4.590 6.029 287 H SER 44 H SER 44 -8.909 -10.422 8.937 288 HA SER 44 HA SER 44 -8.348 -12.269 7.934 289 HB2 SER 44 1HB SER 44 -10.092 -13.462 6.708 290 HB3 SER 44 2HB SER 44 -10.821 -12.584 8.038 291 HG SER 44 HG SER 44 -10.740 -11.706 5.276 292 H SER 45 H SER 45 -7.597 -9.621 6.634 293 HA SER 45 HA SER 45 -6.214 -10.630 4.504 294 HB2 SER 45 1HB SER 45 -7.405 -9.532 2.575 295 HB3 SER 45 2HB SER 45 -8.279 -10.884 3.266 296 HG SER 45 HG SER 45 -9.082 -8.289 3.009 297 HA PRO 46 HA PRO 46 -4.469 -6.690 5.109 298 HB2 PRO 46 1HB PRO 46 -2.844 -6.449 2.925 299 HB3 PRO 46 2HB PRO 46 -2.414 -7.388 4.341 300 HG2 PRO 46 1HG PRO 46 -3.306 -8.339 1.688 301 HG3 PRO 46 2HG PRO 46 -2.479 -9.228 2.952 302 HD2 PRO 46 1HD PRO 46 -5.266 -9.378 2.290 303 HD3 PRO 46 2HD PRO 46 -4.461 -10.178 3.626 304 HA PRO 47 HA PRO 47 -6.779 -3.764 3.075 305 HB2 PRO 47 1HB PRO 47 -5.622 -1.461 3.982 306 HB3 PRO 47 2HB PRO 47 -6.806 -2.365 4.904 307 HG2 PRO 47 1HG PRO 47 -3.880 -2.204 5.297 308 HG3 PRO 47 2HG PRO 47 -5.112 -2.736 6.425 309 HD2 PRO 47 1HD PRO 47 -3.319 -4.402 4.929 310 HD3 PRO 47 2HD PRO 47 -4.626 -4.936 5.966 311 H LEU 48 H LEU 48 -6.653 -3.896 0.907 312 HA LEU 48 HA LEU 48 -4.168 -2.866 -0.230 313 HB2 LEU 48 1HB LEU 48 -6.375 -4.252 -1.726 314 HB3 LEU 48 2HB LEU 48 -4.692 -4.061 -2.178 315 HG LEU 48 HG LEU 48 -5.316 -5.614 0.303 316 HD11 LEU 48 1HD1 LEU 48 -5.387 -7.665 -1.331 317 HD12 LEU 48 2HD1 LEU 48 -6.867 -6.749 -0.958 318 HD13 LEU 48 3HD1 LEU 48 -6.005 -6.461 -2.488 319 HD21 LEU 48 1HD2 LEU 48 -3.365 -6.943 -0.504 320 HD22 LEU 48 2HD2 LEU 48 -3.209 -5.805 -1.865 321 HD23 LEU 48 3HD2 LEU 48 -3.002 -5.228 -0.194 322 H ILE 49 H ILE 49 -4.177 -1.217 -1.853 323 HA ILE 49 HA ILE 49 -6.032 0.827 -1.337 324 HB ILE 49 HB ILE 49 -3.863 0.395 -3.369 325 HG12 ILE 49 1HG1 ILE 49 -4.193 2.198 -0.958 326 HG13 ILE 49 2HG1 ILE 49 -3.102 0.836 -1.126 327 HG21 ILE 49 1HG2 ILE 49 -4.778 1.884 -4.739 328 HG22 ILE 49 2HG2 ILE 49 -6.097 2.226 -3.594 329 HG23 ILE 49 3HG2 ILE 49 -4.553 3.103 -3.461 330 HD11 ILE 49 1HD1 ILE 49 -2.745 3.603 -2.000 331 HD12 ILE 49 2HD1 ILE 49 -1.542 2.297 -1.878 332 HD13 ILE 49 3HD1 ILE 49 -2.519 2.471 -3.355 333 H SER 50 H SER 50 -8.175 0.398 -1.729 334 HA SER 50 HA SER 50 -9.065 -1.176 -3.810 335 HB2 SER 50 1HB SER 50 -10.617 -0.845 -2.081 336 HB3 SER 50 2HB SER 50 -10.320 0.880 -1.996 337 HG SER 50 HG SER 50 -11.960 -0.591 -3.820 338 H TYR 51 H TYR 51 -9.045 2.452 -3.479 339 HA TYR 51 HA TYR 51 -8.643 2.640 -6.354 340 HB2 TYR 51 1HB TYR 51 -11.108 2.711 -6.019 341 HB3 TYR 51 2HB TYR 51 -10.933 3.794 -4.652 342 HD1 TYR 51 2HD TYR 51 -10.594 3.564 -8.347 343 HD2 TYR 51 1HD TYR 51 -10.830 6.158 -4.952 344 HE1 TYR 51 2HE TYR 51 -10.883 5.566 -9.887 345 HE2 TYR 51 1HE TYR 51 -11.118 8.151 -6.505 346 HH TYR 51 HH TYR 51 -11.305 8.830 -8.541 347 H ILE 52 H ILE 52 -7.870 4.771 -7.028 348 HA ILE 52 HA ILE 52 -6.942 6.394 -4.766 349 HB ILE 52 HB ILE 52 -5.356 5.623 -7.218 350 HG12 ILE 52 1HG1 ILE 52 -4.602 4.937 -4.392 351 HG13 ILE 52 2HG1 ILE 52 -5.760 3.936 -5.245 352 HG21 ILE 52 1HG2 ILE 52 -5.047 7.978 -6.284 353 HG22 ILE 52 2HG2 ILE 52 -4.363 7.194 -4.840 354 HG23 ILE 52 3HG2 ILE 52 -3.594 6.960 -6.428 355 HD11 ILE 52 1HD1 ILE 52 -3.482 4.556 -6.972 356 HD12 ILE 52 2HD1 ILE 52 -2.948 3.809 -5.448 357 HD13 ILE 52 3HD1 ILE 52 -4.127 2.970 -6.485 358 H GLU 53 H GLU 53 -8.026 8.285 -4.863 359 HA GLU 53 HA GLU 53 -9.465 9.154 -6.980 360 HB2 GLU 53 1HB GLU 53 -8.472 10.276 -4.457 361 HB3 GLU 53 2HB GLU 53 -8.612 11.511 -5.691 362 HG2 GLU 53 1HG GLU 53 -10.762 11.456 -4.665 363 HG3 GLU 53 2HG GLU 53 -10.976 10.582 -6.169 364 H ALA 54 H ALA 54 -9.147 10.938 -8.543 365 HA ALA 54 HA ALA 54 -6.419 10.890 -9.559 366 HB1 ALA 54 1HB ALA 54 -9.161 11.277 -10.647 367 HB2 ALA 54 2HB ALA 54 -7.884 12.259 -11.403 368 HB3 ALA 54 3HB ALA 54 -7.742 10.485 -11.373 369 H ASP 55 H ASP 55 -5.413 12.942 -10.310 370 HA ASP 55 HA ASP 55 -4.721 14.970 -9.990 371 HB2 ASP 55 1HB ASP 55 -7.443 15.279 -10.298 372 HB3 ASP 55 2HB ASP 55 -7.218 16.025 -8.729 373 H SER 56 H SER 56 -5.163 12.850 -7.679 374 HA SER 56 HA SER 56 -5.039 14.678 -5.431 375 HB2 SER 56 1HB SER 56 -5.935 13.006 -4.155 376 HB3 SER 56 2HB SER 56 -6.441 12.360 -5.703 377 HG SER 56 HG SER 56 -5.317 10.631 -5.128 378 HA PRO 57 HA PRO 57 -0.826 13.812 -4.730 379 HB2 PRO 57 1HB PRO 57 -0.581 13.449 -2.032 380 HB3 PRO 57 2HB PRO 57 -0.742 15.028 -2.777 381 HG2 PRO 57 1HG PRO 57 -2.759 13.472 -1.276 382 HG3 PRO 57 2HG PRO 57 -2.750 15.183 -1.652 383 HD2 PRO 57 1HD PRO 57 -4.315 13.153 -2.938 384 HD3 PRO 57 2HD PRO 57 -4.218 14.844 -3.388 385 H ALA 58 H ALA 58 -2.993 11.403 -3.543 386 HA ALA 58 HA ALA 58 -0.994 9.451 -3.092 387 HB1 ALA 58 1HB ALA 58 -4.002 9.381 -3.506 388 HB2 ALA 58 2HB ALA 58 -3.041 7.916 -3.190 389 HB3 ALA 58 3HB ALA 58 -3.096 9.222 -1.982 390 H GLU 59 H GLU 59 -2.658 10.722 -5.930 391 HA GLU 59 HA GLU 59 -1.778 8.440 -7.478 392 HB2 GLU 59 1HB GLU 59 -4.132 9.496 -7.663 393 HB3 GLU 59 2HB GLU 59 -3.358 10.836 -8.486 394 HG2 GLU 59 1HG GLU 59 -3.992 9.427 -10.272 395 HG3 GLU 59 2HG GLU 59 -2.301 9.025 -10.047 396 H ARG 60 H ARG 60 -1.331 11.993 -7.120 397 HA ARG 60 HA ARG 60 0.083 12.608 -9.276 398 HB2 ARG 60 1HB ARG 60 0.246 13.451 -6.392 399 HB3 ARG 60 2HB ARG 60 1.555 13.978 -7.432 400 HG2 ARG 60 1HG ARG 60 -0.641 14.536 -9.021 401 HG3 ARG 60 2HG ARG 60 -1.307 14.806 -7.423 402 HD2 ARG 60 1HD ARG 60 1.321 16.000 -7.482 403 HD3 ARG 60 2HD ARG 60 0.474 16.511 -8.929 404 HE ARG 60 HE ARG 60 -1.248 16.707 -6.604 405 HH11 ARG 60 2HH2 ARG 60 1.397 18.321 -8.271 406 HH12 ARG 60 1HH2 ARG 60 1.003 19.888 -7.647 407 HH21 ARG 60 2HH1 ARG 60 -1.768 18.774 -5.780 408 HH22 ARG 60 1HH1 ARG 60 -0.809 20.147 -6.220 409 H CYS 61 H CYS 61 1.355 10.988 -6.292 410 HA CYS 61 HA CYS 61 4.012 10.898 -7.115 411 HB2 CYS 61 1HB CYS 61 2.511 9.057 -5.222 412 HB3 CYS 61 2HB CYS 61 4.254 9.119 -5.392 413 HG CYS 61 HG CYS 61 2.408 10.718 -3.548 414 H GLY 62 H GLY 62 1.177 8.720 -7.586 415 HA2 GLY 62 1HA GLY 62 0.794 7.140 -9.150 416 HA3 GLY 62 2HA GLY 62 2.257 7.630 -9.981 417 H VAL 63 H VAL 63 3.040 7.049 -6.723 418 HA VAL 63 HA VAL 63 4.294 4.552 -7.455 419 HB VAL 63 HB VAL 63 5.534 4.811 -5.455 420 HG11 VAL 63 1HG1 VAL 63 6.245 6.291 -7.239 421 HG12 VAL 63 2HG1 VAL 63 5.070 7.527 -6.730 422 HG13 VAL 63 3HG1 VAL 63 6.443 7.116 -5.674 423 HG21 VAL 63 1HG2 VAL 63 4.153 5.341 -3.702 424 HG22 VAL 63 2HG2 VAL 63 4.893 6.935 -3.989 425 HG23 VAL 63 3HG2 VAL 63 3.268 6.580 -4.625 426 H LEU 64 H LEU 64 1.303 5.601 -6.160 427 HA LEU 64 HA LEU 64 0.983 3.146 -4.609 428 HB2 LEU 64 1HB LEU 64 -0.642 5.684 -4.780 429 HB3 LEU 64 2HB LEU 64 -1.152 4.260 -3.895 430 HG LEU 64 HG LEU 64 1.547 5.347 -3.250 431 HD11 LEU 64 1HD1 LEU 64 -0.278 6.739 -1.584 432 HD12 LEU 64 2HD1 LEU 64 0.903 7.404 -2.738 433 HD13 LEU 64 3HD1 LEU 64 -0.757 7.046 -3.271 434 HD21 LEU 64 1HD2 LEU 64 0.395 3.307 -2.205 435 HD22 LEU 64 2HD2 LEU 64 1.127 4.502 -1.108 436 HD23 LEU 64 3HD2 LEU 64 -0.636 4.484 -1.356 437 H GLN 65 H GLN 65 0.502 1.437 -5.907 438 HA GLN 65 HA GLN 65 -1.106 1.914 -8.235 439 HB2 GLN 65 1HB GLN 65 0.922 0.374 -8.187 440 HB3 GLN 65 2HB GLN 65 -0.003 -0.728 -7.187 441 HG2 GLN 65 1HG GLN 65 -1.381 -1.387 -8.928 442 HG3 GLN 65 2HG GLN 65 -1.367 0.192 -9.687 443 HE21 GLN 65 1HE2 GLN 65 -0.503 0.154 -11.604 444 HE22 GLN 65 2HE2 GLN 65 0.875 -0.757 -12.125 445 H ILE 66 H ILE 66 -3.046 0.491 -8.698 446 HA ILE 66 HA ILE 66 -4.792 0.575 -6.447 447 HB ILE 66 HB ILE 66 -5.100 -0.309 -9.312 448 HG12 ILE 66 1HG1 ILE 66 -4.805 2.169 -8.574 449 HG13 ILE 66 2HG1 ILE 66 -6.061 1.746 -9.722 450 HG21 ILE 66 1HG2 ILE 66 -6.819 -0.864 -7.020 451 HG22 ILE 66 2HG2 ILE 66 -7.653 0.044 -8.304 452 HG23 ILE 66 3HG2 ILE 66 -6.867 -1.509 -8.678 453 HD11 ILE 66 1HD1 ILE 66 -6.960 1.509 -6.916 454 HD12 ILE 66 2HD1 ILE 66 -6.452 3.157 -7.358 455 HD13 ILE 66 3HD1 ILE 66 -7.730 2.340 -8.289 456 H GLY 67 H GLY 67 -4.842 -0.928 -4.872 457 HA2 GLY 67 1HA GLY 67 -5.257 -3.068 -4.096 458 HA3 GLY 67 2HA GLY 67 -4.766 -3.745 -5.636 459 H ASP 68 H ASP 68 -2.928 -1.280 -3.766 460 HA ASP 68 HA ASP 68 -0.563 -2.690 -4.035 461 HB2 ASP 68 1HB ASP 68 -1.383 -0.523 -2.046 462 HB3 ASP 68 2HB ASP 68 0.269 -1.067 -2.255 463 H ARG 69 H ARG 69 0.758 -2.867 -1.622 464 HA ARG 69 HA ARG 69 -1.000 -4.503 0.022 465 HB2 ARG 69 1HB ARG 69 1.332 -5.761 0.482 466 HB3 ARG 69 2HB ARG 69 0.315 -6.204 -0.875 467 HG2 ARG 69 1HG ARG 69 2.464 -4.068 -1.152 468 HG3 ARG 69 2HG ARG 69 2.850 -5.768 -1.330 469 HD2 ARG 69 1HD ARG 69 0.639 -5.601 -2.960 470 HD3 ARG 69 2HD ARG 69 1.280 -3.980 -3.141 471 HE ARG 69 HE ARG 69 2.535 -6.474 -4.058 472 HH11 ARG 69 2HH2 ARG 69 3.041 -3.078 -3.288 473 HH12 ARG 69 1HH2 ARG 69 4.471 -2.940 -4.255 474 HH21 ARG 69 2HH1 ARG 69 4.422 -6.292 -5.335 475 HH22 ARG 69 1HH1 ARG 69 5.262 -4.780 -5.428 476 H VAL 70 H VAL 70 -1.258 -2.609 1.430 477 HA VAL 70 HA VAL 70 1.040 -1.333 2.521 478 HB VAL 70 HB VAL 70 -1.239 -0.336 2.148 479 HG11 VAL 70 1HG1 VAL 70 -2.100 -1.418 4.801 480 HG12 VAL 70 2HG1 VAL 70 -3.074 -0.866 3.416 481 HG13 VAL 70 3HG1 VAL 70 -2.282 -2.459 3.369 482 HG21 VAL 70 1HG2 VAL 70 -0.562 1.281 3.531 483 HG22 VAL 70 2HG2 VAL 70 -0.883 0.275 4.964 484 HG23 VAL 70 3HG2 VAL 70 0.685 0.161 4.130 485 H MET 71 H MET 71 2.375 -2.168 4.032 486 HA MET 71 HA MET 71 1.429 -4.437 5.527 487 HB2 MET 71 1HB MET 71 4.169 -3.081 5.677 488 HB3 MET 71 2HB MET 71 3.789 -4.743 6.083 489 HG2 MET 71 1HG MET 71 3.480 -3.600 3.267 490 HG3 MET 71 2HG MET 71 4.931 -4.413 3.818 491 HE1 MET 71 1HE MET 71 4.882 -7.477 3.938 492 HE2 MET 71 2HE MET 71 4.667 -6.406 5.343 493 HE3 MET 71 3HE MET 71 3.542 -7.759 5.075 494 H ALA 72 H ALA 72 1.537 -1.039 5.882 495 HA ALA 72 HA ALA 72 0.563 -1.114 8.495 496 HB1 ALA 72 1HB ALA 72 2.808 -1.710 9.187 497 HB2 ALA 72 2HB ALA 72 3.507 -0.396 8.210 498 HB3 ALA 72 3HB ALA 72 2.517 -0.013 9.639 499 H ILE 73 H ILE 73 0.238 1.156 9.343 500 HA ILE 73 HA ILE 73 0.453 3.119 7.175 501 HB ILE 73 HB ILE 73 -1.968 2.536 8.881 502 HG12 ILE 73 1HG1 ILE 73 -1.423 2.244 5.916 503 HG13 ILE 73 2HG1 ILE 73 -1.771 0.967 7.065 504 HG21 ILE 73 1HG2 ILE 73 -1.131 5.030 7.963 505 HG22 ILE 73 2HG2 ILE 73 -2.338 4.496 6.770 506 HG23 ILE 73 3HG2 ILE 73 -2.768 4.574 8.495 507 HD11 ILE 73 1HD1 ILE 73 -3.628 2.660 5.598 508 HD12 ILE 73 2HD1 ILE 73 -3.967 1.214 6.577 509 HD13 ILE 73 3HD1 ILE 73 -3.907 2.817 7.349 510 H ASN 74 H ASN 74 2.113 4.345 7.993 511 HA ASN 74 HA ASN 74 3.048 5.870 9.228 512 HB2 ASN 74 1HB ASN 74 0.271 6.078 10.034 513 HB3 ASN 74 2HB ASN 74 1.259 6.263 11.470 514 HD21 ASN 74 1HD2 ASN 74 -0.061 7.778 8.820 515 HD22 ASN 74 2HD2 ASN 74 0.863 9.244 8.795 516 H GLY 75 H GLY 75 3.092 2.884 9.794 517 HA2 GLY 75 1HA GLY 75 4.635 1.889 11.279 518 HA3 GLY 75 2HA GLY 75 4.186 3.038 12.524 519 H ILE 76 H ILE 76 1.214 2.679 11.641 520 HA ILE 76 HA ILE 76 0.554 0.801 13.601 521 HB ILE 76 HB ILE 76 -0.969 2.174 11.405 522 HG12 ILE 76 1HG1 ILE 76 -0.165 3.477 13.374 523 HG13 ILE 76 2HG1 ILE 76 -1.906 3.480 13.170 524 HG21 ILE 76 1HG2 ILE 76 -1.840 -0.095 13.126 525 HG22 ILE 76 2HG2 ILE 76 -2.979 1.252 12.891 526 HG23 ILE 76 3HG2 ILE 76 -2.345 0.366 11.483 527 HD11 ILE 76 1HD1 ILE 76 -1.559 1.254 14.778 528 HD12 ILE 76 2HD1 ILE 76 -0.266 2.333 15.356 529 HD13 ILE 76 3HD1 ILE 76 -1.959 2.883 15.373 530 HA PRO 77 HA PRO 77 1.153 -2.826 11.278 531 HB2 PRO 77 1HB PRO 77 0.412 -4.623 13.199 532 HB3 PRO 77 2HB PRO 77 2.022 -3.938 13.097 533 HG2 PRO 77 1HG PRO 77 -0.147 -3.298 15.001 534 HG3 PRO 77 2HG PRO 77 1.566 -2.956 15.134 535 HD2 PRO 77 1HD PRO 77 -0.507 -1.096 14.450 536 HD3 PRO 77 2HD PRO 77 1.217 -0.783 14.470 537 H THR 78 H THR 78 -0.278 -2.617 9.586 538 HA THR 78 HA THR 78 -3.047 -2.808 9.995 539 HB THR 78 HB THR 78 -2.851 -3.370 7.417 540 HG1 THR 78 1HG THR 78 -0.537 -2.652 6.847 541 HG21 THR 78 1HG2 THR 78 -3.277 -1.044 8.147 542 HG22 THR 78 2HG2 THR 78 -1.570 -0.857 8.614 543 HG23 THR 78 3HG2 THR 78 -2.008 -1.043 6.899 544 H GLU 79 H GLU 79 -3.411 -4.546 11.463 545 HA GLU 79 HA GLU 79 -4.035 -6.907 10.125 546 HB2 GLU 79 1HB GLU 79 -1.356 -6.785 11.321 547 HB3 GLU 79 2HB GLU 79 -2.311 -8.078 12.020 548 HG2 GLU 79 1HG GLU 79 -2.424 -9.266 10.035 549 HG3 GLU 79 2HG GLU 79 -2.485 -7.823 9.044 550 H ASP 80 H ASP 80 -5.572 -5.161 11.579 551 HA ASP 80 HA ASP 80 -6.817 -6.781 13.368 552 HB2 ASP 80 1HB ASP 80 -4.482 -5.829 14.557 553 HB3 ASP 80 2HB ASP 80 -5.669 -4.661 15.104 554 H SER 81 H SER 81 -8.284 -5.211 14.962 555 HA SER 81 HA SER 81 -9.673 -3.549 15.168 556 HB2 SER 81 1HB SER 81 -8.095 -1.969 13.096 557 HB3 SER 81 2HB SER 81 -9.193 -1.323 14.300 558 HG SER 81 HG SER 81 -6.563 -2.419 14.652 559 H THR 82 H THR 82 -10.770 -1.707 13.219 560 HA THR 82 HA THR 82 -11.880 -3.633 11.285 561 HB THR 82 HB THR 82 -13.993 -2.555 11.607 562 HG1 THR 82 1HG THR 82 -12.316 -0.533 12.922 563 HG21 THR 82 1HG2 THR 82 -13.276 -3.767 13.725 564 HG22 THR 82 2HG2 THR 82 -12.612 -2.227 14.321 565 HG23 THR 82 3HG2 THR 82 -14.361 -2.391 14.035 566 H PHE 83 H PHE 83 -12.472 -2.822 9.167 567 HA PHE 83 HA PHE 83 -10.479 -1.577 7.862 568 HB2 PHE 83 1HB PHE 83 -12.226 -2.586 6.576 569 HB3 PHE 83 2HB PHE 83 -13.488 -1.838 7.534 570 HD1 PHE 83 2HD PHE 83 -13.926 0.644 7.219 571 HD2 PHE 83 1HD PHE 83 -11.506 -1.610 4.560 572 HE1 PHE 83 2HE PHE 83 -14.214 2.411 5.459 573 HE2 PHE 83 1HE PHE 83 -11.795 0.156 2.800 574 HZ PHE 83 HZ PHE 83 -13.145 2.145 3.271 575 H GLU 84 H GLU 84 -13.038 -0.059 9.808 576 HA GLU 84 HA GLU 84 -12.809 2.491 8.734 577 HB2 GLU 84 1HB GLU 84 -13.706 1.491 11.466 578 HB3 GLU 84 2HB GLU 84 -13.803 3.179 11.006 579 HG2 GLU 84 1HG GLU 84 -15.294 2.660 9.137 580 HG3 GLU 84 2HG GLU 84 -15.058 0.938 9.358 581 H GLU 85 H GLU 85 -11.121 0.828 11.458 582 HA GLU 85 HA GLU 85 -9.826 2.884 12.582 583 HB2 GLU 85 1HB GLU 85 -9.638 0.097 12.644 584 HB3 GLU 85 2HB GLU 85 -8.032 0.581 12.134 585 HG2 GLU 85 1HG GLU 85 -8.657 2.408 14.186 586 HG3 GLU 85 2HG GLU 85 -9.329 0.894 14.760 587 H ALA 86 H ALA 86 -8.487 0.899 9.834 588 HA ALA 86 HA ALA 86 -6.257 2.463 9.387 589 HB1 ALA 86 1HB ALA 86 -7.468 1.331 6.959 590 HB2 ALA 86 2HB ALA 86 -5.922 0.941 7.751 591 HB3 ALA 86 3HB ALA 86 -7.428 0.180 8.316 592 H ASN 87 H ASN 87 -9.591 2.696 7.990 593 HA ASN 87 HA ASN 87 -9.094 4.694 6.214 594 HB2 ASN 87 1HB ASN 87 -11.284 3.341 6.713 595 HB3 ASN 87 2HB ASN 87 -11.632 4.576 7.906 596 HD21 ASN 87 1HD2 ASN 87 -11.397 3.773 4.557 597 HD22 ASN 87 2HD2 ASN 87 -12.050 5.231 3.887 598 H GLN 88 H GLN 88 -9.831 4.792 9.749 599 HA GLN 88 HA GLN 88 -10.156 7.540 9.929 600 HB2 GLN 88 1HB GLN 88 -10.221 5.309 11.671 601 HB3 GLN 88 2HB GLN 88 -8.999 6.368 12.345 602 HG2 GLN 88 1HG GLN 88 -11.304 6.865 13.211 603 HG3 GLN 88 2HG GLN 88 -10.561 8.245 12.428 604 HE21 GLN 88 1HE2 GLN 88 -12.147 5.317 11.169 605 HE22 GLN 88 2HE2 GLN 88 -13.359 6.112 10.221 606 H LEU 89 H LEU 89 -7.265 5.406 10.213 607 HA LEU 89 HA LEU 89 -5.427 7.135 11.194 608 HB2 LEU 89 1HB LEU 89 -5.079 5.108 8.981 609 HB3 LEU 89 2HB LEU 89 -3.770 5.853 9.876 610 HG LEU 89 HG LEU 89 -5.789 3.829 10.801 611 HD11 LEU 89 1HD1 LEU 89 -2.773 4.035 11.009 612 HD12 LEU 89 2HD1 LEU 89 -3.762 2.712 11.672 613 HD13 LEU 89 3HD1 LEU 89 -3.704 2.985 9.914 614 HD21 LEU 89 1HD2 LEU 89 -4.219 5.698 12.595 615 HD22 LEU 89 2HD2 LEU 89 -5.987 5.528 12.485 616 HD23 LEU 89 3HD2 LEU 89 -5.004 4.195 13.138 617 H LEU 90 H LEU 90 -6.290 6.741 7.684 618 HA LEU 90 HA LEU 90 -4.670 8.706 6.694 619 HB2 LEU 90 1HB LEU 90 -7.376 7.705 5.832 620 HB3 LEU 90 2HB LEU 90 -6.484 8.897 4.908 621 HG LEU 90 HG LEU 90 -5.770 6.016 5.440 622 HD11 LEU 90 1HD1 LEU 90 -5.439 6.178 2.877 623 HD12 LEU 90 2HD1 LEU 90 -7.092 6.133 3.536 624 HD13 LEU 90 3HD1 LEU 90 -6.384 7.680 3.011 625 HD21 LEU 90 1HD2 LEU 90 -3.649 6.659 4.055 626 HD22 LEU 90 2HD2 LEU 90 -3.940 8.283 4.723 627 HD23 LEU 90 3HD2 LEU 90 -3.676 6.904 5.818 628 H ARG 91 H ARG 91 -8.212 9.165 7.380 629 HA ARG 91 HA ARG 91 -8.418 11.753 7.066 630 HB2 ARG 91 1HB ARG 91 -9.523 10.086 9.375 631 HB3 ARG 91 2HB ARG 91 -10.051 11.730 9.074 632 HG2 ARG 91 1HG ARG 91 -10.252 10.567 6.543 633 HG3 ARG 91 2HG ARG 91 -10.703 9.244 7.600 634 HD2 ARG 91 1HD ARG 91 -12.440 10.627 8.677 635 HD3 ARG 91 2HD ARG 91 -11.926 12.040 7.776 636 HE ARG 91 HE ARG 91 -12.594 9.835 6.001 637 HH11 ARG 91 2HH2 ARG 91 -13.991 12.422 7.934 638 HH12 ARG 91 1HH2 ARG 91 -15.432 12.532 6.979 639 HH21 ARG 91 2HH1 ARG 91 -14.494 9.979 4.739 640 HH22 ARG 91 1HH1 ARG 91 -15.720 11.133 5.149 641 H ASP 92 H ASP 92 -7.442 10.278 10.257 642 HA ASP 92 HA ASP 92 -6.957 12.560 11.602 643 HB2 ASP 92 1HB ASP 92 -6.807 10.467 12.758 644 HB3 ASP 92 2HB ASP 92 -5.604 9.841 11.649 645 H SER 93 H SER 93 -4.675 10.623 9.531 646 HA SER 93 HA SER 93 -2.394 11.961 9.885 647 HB2 SER 93 1HB SER 93 -3.387 11.151 7.123 648 HB3 SER 93 2HB SER 93 -1.725 11.208 7.675 649 HG SER 93 HG SER 93 -2.482 9.547 9.344 650 H SER 94 H SER 94 -5.303 13.056 8.146 651 HA SER 94 HA SER 94 -4.272 15.031 6.604 652 HB2 SER 94 1HB SER 94 -6.863 15.192 8.205 653 HB3 SER 94 2HB SER 94 -6.497 16.083 6.740 654 HG SER 94 HG SER 94 -7.389 13.464 7.048 655 H ILE 95 H ILE 95 -4.749 14.913 10.132 656 HA ILE 95 HA ILE 95 -4.685 17.584 10.756 657 HB ILE 95 HB ILE 95 -3.835 15.072 12.127 658 HG12 ILE 95 1HG1 ILE 95 -5.779 17.136 13.129 659 HG13 ILE 95 2HG1 ILE 95 -6.249 16.050 11.837 660 HG21 ILE 95 1HG2 ILE 95 -3.247 17.877 13.082 661 HG22 ILE 95 2HG2 ILE 95 -3.419 16.496 14.193 662 HG23 ILE 95 3HG2 ILE 95 -2.141 16.487 12.954 663 HD11 ILE 95 1HD1 ILE 95 -6.734 15.297 14.276 664 HD12 ILE 95 2HD1 ILE 95 -5.973 14.109 13.190 665 HD13 ILE 95 3HD1 ILE 95 -4.985 14.982 14.386 666 H THR 96 H THR 96 -1.800 15.366 10.777 667 HA THR 96 HA THR 96 -0.002 17.569 10.793 668 HB THR 96 HB THR 96 0.457 15.323 11.809 669 HG1 THR 96 1HG THR 96 2.311 16.500 11.166 670 HG21 THR 96 1HG2 THR 96 -0.634 14.003 9.858 671 HG22 THR 96 2HG2 THR 96 0.842 14.368 8.933 672 HG23 THR 96 3HG2 THR 96 0.943 13.402 10.425 673 H SER 97 H SER 97 -2.009 16.382 8.364 674 HA SER 97 HA SER 97 -2.120 16.737 6.227 675 HB2 SER 97 1HB SER 97 -0.373 18.905 7.159 676 HB3 SER 97 2HB SER 97 -0.029 18.481 5.494 677 HG SER 97 HG SER 97 -1.680 19.887 5.221 678 H LYS 98 H LYS 98 -0.324 14.638 7.391 679 HA LYS 98 HA LYS 98 0.995 13.942 4.937 680 HB2 LYS 98 1HB LYS 98 2.561 15.431 6.500 681 HB3 LYS 98 2HB LYS 98 2.810 13.899 7.314 682 HG2 LYS 98 1HG LYS 98 3.971 12.989 5.546 683 HG3 LYS 98 2HG LYS 98 2.937 13.733 4.344 684 HD2 LYS 98 1HD LYS 98 4.622 15.644 5.899 685 HD3 LYS 98 2HD LYS 98 5.520 14.533 4.884 686 HE2 LYS 98 1HE LYS 98 3.760 15.209 3.022 687 HE3 LYS 98 2HE LYS 98 3.448 16.589 4.056 688 HZ1 LYS 98 1HZ LYS 98 5.620 16.149 2.357 689 HZ2 LYS 98 2HZ LYS 98 5.243 17.496 3.200 690 HZ3 LYS 98 3HZ LYS 98 6.178 16.343 3.880 691 H VAL 99 H VAL 99 0.847 11.763 4.630 692 HA VAL 99 HA VAL 99 0.264 10.161 7.022 693 HB VAL 99 HB VAL 99 -1.776 10.610 5.755 694 HG11 VAL 99 1HG1 VAL 99 -0.159 10.466 3.506 695 HG12 VAL 99 2HG1 VAL 99 -1.120 8.970 3.420 696 HG13 VAL 99 3HG1 VAL 99 -1.937 10.549 3.520 697 HG21 VAL 99 1HG2 VAL 99 -2.522 8.556 6.244 698 HG22 VAL 99 2HG2 VAL 99 -1.500 7.805 4.995 699 HG23 VAL 99 3HG2 VAL 99 -0.832 8.134 6.612 700 H THR 100 H THR 100 1.281 8.147 7.140 701 HA THR 100 HA THR 100 3.228 7.654 4.983 702 HB THR 100 HB THR 100 3.313 7.468 8.006 703 HG1 THR 100 1HG THR 100 5.188 8.119 5.844 704 HG21 THR 100 1HG2 THR 100 5.426 6.145 7.794 705 HG22 THR 100 2HG2 THR 100 4.025 5.195 7.244 706 HG23 THR 100 3HG2 THR 100 5.116 5.942 6.053 707 H LEU 101 H LEU 101 2.975 5.890 3.771 708 HA LEU 101 HA LEU 101 1.309 3.757 4.917 709 HB2 LEU 101 1HB LEU 101 1.476 4.646 2.034 710 HB3 LEU 101 2HB LEU 101 0.542 3.293 2.639 711 HG LEU 101 HG LEU 101 0.085 6.147 3.536 712 HD11 LEU 101 1HD1 LEU 101 -0.288 5.339 0.968 713 HD12 LEU 101 2HD1 LEU 101 -1.865 4.929 1.685 714 HD13 LEU 101 3HD1 LEU 101 -1.249 6.596 1.784 715 HD21 LEU 101 1HD2 LEU 101 -1.798 3.785 3.678 716 HD22 LEU 101 2HD2 LEU 101 -0.698 4.246 5.000 717 HD23 LEU 101 3HD2 LEU 101 -1.961 5.377 4.457 718 H GLU 102 H GLU 102 2.406 1.912 5.286 719 HA GLU 102 HA GLU 102 5.016 1.674 4.125 720 HB2 GLU 102 1HB GLU 102 4.279 1.120 6.579 721 HB3 GLU 102 2HB GLU 102 3.686 -0.387 5.910 722 HG2 GLU 102 1HG GLU 102 5.798 -1.226 5.575 723 HG3 GLU 102 2HG GLU 102 6.428 0.308 5.007 724 H ILE 103 H ILE 103 5.120 0.929 2.040 725 HA ILE 103 HA ILE 103 3.220 -1.160 1.274 726 HB ILE 103 HB ILE 103 4.970 0.604 -0.444 727 HG12 ILE 103 1HG1 ILE 103 3.068 1.681 0.963 728 HG13 ILE 103 2HG1 ILE 103 3.215 2.071 -0.739 729 HG21 ILE 103 1HG2 ILE 103 2.744 -1.326 -1.154 730 HG22 ILE 103 2HG2 ILE 103 3.515 -0.186 -2.282 731 HG23 ILE 103 3HG2 ILE 103 4.473 -1.491 -1.543 732 HD11 ILE 103 1HD1 ILE 103 1.426 0.562 -1.344 733 HD12 ILE 103 2HD1 ILE 103 1.413 -0.166 0.281 734 HD13 ILE 103 3HD1 ILE 103 0.853 1.508 0.051 735 H GLU 104 H GLU 104 4.124 -2.910 -0.199 736 HA GLU 104 HA GLU 104 6.902 -3.453 0.446 737 HB2 GLU 104 1HB GLU 104 5.897 -4.806 2.086 738 HB3 GLU 104 2HB GLU 104 4.507 -5.177 1.086 739 HG2 GLU 104 1HG GLU 104 5.600 -6.873 -0.065 740 HG3 GLU 104 2HG GLU 104 7.163 -6.086 0.031 741 H PHE 105 H PHE 105 8.037 -3.988 -1.375 742 HA PHE 105 HA PHE 105 6.510 -5.172 -3.580 743 HB2 PHE 105 1HB PHE 105 8.140 -3.713 -5.012 744 HB3 PHE 105 2HB PHE 105 6.861 -2.847 -4.184 745 HD1 PHE 105 2HD PHE 105 7.488 -1.931 -1.800 746 HD2 PHE 105 1HD PHE 105 10.324 -2.981 -4.778 747 HE1 PHE 105 2HE PHE 105 9.199 -0.469 -0.687 748 HE2 PHE 105 1HE PHE 105 12.034 -1.520 -3.664 749 HZ PHE 105 HZ PHE 105 11.451 -0.281 -1.633 750 H ASP 106 H ASP 106 8.253 -5.921 -5.365 751 HA ASP 106 HA ASP 106 10.083 -7.568 -3.847 752 HB2 ASP 106 1HB ASP 106 9.597 -7.783 -6.833 753 HB3 ASP 106 2HB ASP 106 10.087 -9.045 -5.720 754 H VAL 107 H VAL 107 12.349 -7.869 -4.775 755 HA VAL 107 HA VAL 107 13.206 -5.495 -6.280 756 HB VAL 107 HB VAL 107 14.766 -6.907 -4.112 757 HG11 VAL 107 1HG1 VAL 107 16.171 -4.873 -4.188 758 HG12 VAL 107 2HG1 VAL 107 16.154 -5.741 -5.742 759 HG13 VAL 107 3HG1 VAL 107 15.188 -4.260 -5.540 760 HG21 VAL 107 1HG2 VAL 107 13.345 -5.933 -2.667 761 HG22 VAL 107 2HG2 VAL 107 14.161 -4.415 -3.112 762 HG23 VAL 107 3HG2 VAL 107 12.644 -4.879 -3.919 763 H ALA 108 H ALA 108 14.575 -5.857 -8.013 764 HA ALA 108 HA ALA 108 14.614 -8.436 -9.099 765 HB1 ALA 108 1HB ALA 108 15.147 -5.803 -9.914 766 HB2 ALA 108 2HB ALA 108 16.693 -6.660 -10.120 767 HB3 ALA 108 3HB ALA 108 15.225 -7.267 -10.924 768 H GLU 109 H GLU 109 16.201 -10.043 -9.178 769 HA GLU 109 HA GLU 109 18.476 -9.535 -7.422 770 HB2 GLU 109 1HB GLU 109 18.398 -11.956 -6.822 771 HB3 GLU 109 2HB GLU 109 16.942 -11.105 -6.348 772 HG2 GLU 109 1HG GLU 109 15.639 -12.089 -8.057 773 HG3 GLU 109 2HG GLU 109 17.030 -12.437 -9.063 774 H SER 110 H SER 110 20.350 -11.196 -7.913 775 HA SER 110 HA SER 110 21.166 -10.721 -10.498 776 HB2 SER 110 1HB SER 110 22.984 -12.391 -9.969 777 HB3 SER 110 2HB SER 110 22.789 -11.139 -8.758 778 HG SER 110 HG SER 110 22.108 -12.585 -7.298 779 H VAL 111 H VAL 111 20.019 -11.497 -12.257 780 HA VAL 111 HA VAL 111 20.040 -14.292 -12.739 781 HB VAL 111 HB VAL 111 18.128 -14.087 -11.165 782 HG11 VAL 111 1HG1 VAL 111 16.379 -12.680 -11.446 783 HG12 VAL 111 2HG1 VAL 111 17.534 -11.757 -12.438 784 HG13 VAL 111 3HG1 VAL 111 16.378 -12.863 -13.216 785 HG21 VAL 111 1HG2 VAL 111 18.162 -15.313 -13.792 786 HG22 VAL 111 2HG2 VAL 111 17.532 -15.944 -12.252 787 HG23 VAL 111 3HG2 VAL 111 16.496 -14.935 -13.290 788 H ILE 112 H ILE 112 19.831 -14.707 -14.957 789 HA ILE 112 HA ILE 112 19.822 -12.303 -16.583 790 HB ILE 112 HB ILE 112 20.493 -15.179 -17.214 791 HG12 ILE 112 1HG1 ILE 112 22.608 -13.144 -17.336 792 HG13 ILE 112 2HG1 ILE 112 21.945 -13.357 -15.728 793 HG21 ILE 112 1HG2 ILE 112 21.086 -12.789 -18.957 794 HG22 ILE 112 2HG2 ILE 112 21.172 -14.520 -19.360 795 HG23 ILE 112 3HG2 ILE 112 19.590 -13.739 -19.126 796 HD11 ILE 112 1HD1 ILE 112 22.271 -15.850 -15.962 797 HD12 ILE 112 2HD1 ILE 112 23.063 -15.553 -17.528 798 HD13 ILE 112 3HD1 ILE 112 23.791 -14.927 -16.029 799 HA PRO 113 HA PRO 113 15.764 -12.976 -17.913 800 HB2 PRO 113 1HB PRO 113 15.708 -11.329 -20.093 801 HB3 PRO 113 2HB PRO 113 15.505 -10.753 -18.450 802 HG2 PRO 113 1HG PRO 113 17.861 -10.515 -20.220 803 HG3 PRO 113 2HG PRO 113 17.478 -9.603 -18.773 804 HD2 PRO 113 1HD PRO 113 19.381 -11.737 -19.004 805 HD3 PRO 113 2HD PRO 113 18.915 -10.903 -17.535 806 H SER 114 H SER 114 14.485 -13.252 -20.185 807 HA SER 114 HA SER 114 15.808 -15.606 -21.210 808 HB2 SER 114 1HB SER 114 13.325 -15.471 -20.417 809 HB3 SER 114 2HB SER 114 13.016 -14.653 -21.936 810 HG SER 114 HG SER 114 14.526 -16.941 -22.335 811 H SER 115 H SER 115 16.380 -15.865 -23.419 812 HA SER 115 HA SER 115 16.918 -13.461 -24.770 813 HB2 SER 115 1HB SER 115 17.860 -14.919 -26.520 814 HB3 SER 115 2HB SER 115 18.384 -15.445 -24.933 815 HG SER 115 HG SER 115 17.443 -17.062 -26.640 816 H GLY 116 H GLY 116 15.329 -12.275 -25.772 817 HA2 GLY 116 1HA GLY 116 13.712 -13.501 -27.805 818 HA3 GLY 116 2HA GLY 116 12.789 -13.052 -26.385 819 H SER 117 H SER 117 11.640 -11.274 -27.146 820 HA SER 117 HA SER 117 13.320 -9.033 -27.950 821 HB2 SER 117 1HB SER 117 10.899 -10.189 -29.291 822 HB3 SER 117 2HB SER 117 11.012 -8.441 -29.255 823 HG SER 117 HG SER 117 13.255 -10.041 -30.095 824 H GLY 118 H GLY 118 13.024 -7.248 -26.653 825 HA2 GLY 118 1HA GLY 118 10.790 -6.042 -25.816 826 HA3 GLY 118 2HA GLY 118 10.927 -7.340 -24.647 827 HA PRO 119 HA PRO 119 13.908 -5.025 -22.513 828 HB2 PRO 119 1HB PRO 119 15.373 -6.949 -21.241 829 HB3 PRO 119 2HB PRO 119 13.805 -6.408 -20.676 830 HG2 PRO 119 1HG PRO 119 14.511 -8.924 -22.058 831 HG3 PRO 119 2HG PRO 119 13.077 -8.551 -21.123 832 HD2 PRO 119 1HD PRO 119 13.279 -8.666 -23.982 833 HD3 PRO 119 2HD PRO 119 11.877 -8.180 -23.049 834 H SER 120 H SER 120 15.635 -3.815 -23.002 835 HA SER 120 HA SER 120 17.609 -5.250 -24.601 836 HB2 SER 120 1HB SER 120 18.002 -3.120 -25.838 837 HB3 SER 120 2HB SER 120 16.369 -3.722 -26.050 838 HG SER 120 HG SER 120 15.542 -2.054 -24.915 839 H SER 121 H SER 121 19.785 -4.940 -24.019 840 HA SER 121 HA SER 121 20.347 -4.198 -21.467 841 HB2 SER 121 1HB SER 121 22.281 -4.010 -23.817 842 HB3 SER 121 2HB SER 121 22.705 -4.257 -22.134 843 HG SER 121 HG SER 121 21.378 -6.077 -23.933 844 H GLY 122 H GLY 122 21.327 -2.303 -20.495 845 HA2 GLY 122 1HA GLY 122 21.720 0.076 -22.077 846 HA3 GLY 122 2HA GLY 122 20.285 0.127 -21.074 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -6.461 -27.109 -3.409 2 HA2 GLY 1 1HA GLY 1 -4.879 -24.834 -3.820 3 HA3 GLY 1 2HA GLY 1 -4.689 -25.328 -2.150 4 H SER 2 H SER 2 -3.891 -26.006 -5.478 5 HA SER 2 HA SER 2 -2.036 -27.986 -4.567 6 HB2 SER 2 1HB SER 2 -4.521 -28.791 -5.745 7 HB3 SER 2 2HB SER 2 -3.279 -29.076 -6.948 8 HG SER 2 HG SER 2 -3.688 -30.869 -5.382 9 H SER 3 H SER 3 -0.567 -26.238 -5.209 10 HA SER 3 HA SER 3 -0.450 -25.927 -8.107 11 HB2 SER 3 1HB SER 3 -0.908 -23.812 -6.881 12 HB3 SER 3 2HB SER 3 0.543 -24.038 -5.926 13 HG SER 3 HG SER 3 1.709 -24.070 -8.082 14 H GLY 4 H GLY 4 1.408 -26.641 -9.137 15 HA2 GLY 4 1HA GLY 4 3.639 -27.488 -7.386 16 HA3 GLY 4 2HA GLY 4 3.137 -28.323 -8.843 17 H SER 5 H SER 5 5.529 -26.398 -7.675 18 HA SER 5 HA SER 5 6.066 -25.389 -10.335 19 HB2 SER 5 1HB SER 5 5.059 -23.592 -8.713 20 HB3 SER 5 2HB SER 5 6.618 -23.646 -7.914 21 HG SER 5 HG SER 5 5.924 -22.634 -10.471 22 H SER 6 H SER 6 8.188 -25.792 -10.938 23 HA SER 6 HA SER 6 9.762 -27.333 -9.235 24 HB2 SER 6 1HB SER 6 9.785 -26.466 -11.984 25 HB3 SER 6 2HB SER 6 11.375 -26.159 -11.315 26 HG SER 6 HG SER 6 10.591 -28.453 -12.232 27 H GLY 7 H GLY 7 10.127 -26.146 -7.271 28 HA2 GLY 7 1HA GLY 7 11.420 -23.543 -7.444 29 HA3 GLY 7 2HA GLY 7 10.868 -24.373 -6.003 30 H ALA 8 H ALA 8 13.602 -23.240 -7.363 31 HA ALA 8 HA ALA 8 15.335 -25.473 -7.259 32 HB1 ALA 8 1HB ALA 8 16.003 -22.519 -6.968 33 HB2 ALA 8 2HB ALA 8 17.075 -23.821 -7.536 34 HB3 ALA 8 3HB ALA 8 15.686 -23.316 -8.528 35 H GLY 9 H GLY 9 14.977 -22.606 -5.041 36 HA2 GLY 9 1HA GLY 9 14.773 -23.990 -2.672 37 HA3 GLY 9 2HA GLY 9 16.494 -23.853 -2.971 38 H GLN 10 H GLN 10 17.137 -21.481 -3.847 39 HA GLN 10 HA GLN 10 16.691 -19.786 -1.727 40 HB2 GLN 10 1HB GLN 10 17.867 -18.100 -3.072 41 HB3 GLN 10 2HB GLN 10 18.647 -19.659 -3.248 42 HG2 GLN 10 1HG GLN 10 17.090 -19.950 -5.352 43 HG3 GLN 10 2HG GLN 10 16.861 -18.216 -5.236 44 HE21 GLN 10 1HE2 GLN 10 17.868 -18.555 -7.436 45 HE22 GLN 10 2HE2 GLN 10 19.589 -18.413 -7.559 46 H VAL 11 H VAL 11 15.529 -17.725 -1.590 47 HA VAL 11 HA VAL 11 13.261 -17.603 -3.456 48 HB VAL 11 HB VAL 11 13.318 -17.147 -0.467 49 HG11 VAL 11 1HG1 VAL 11 11.123 -16.657 -2.501 50 HG12 VAL 11 2HG1 VAL 11 10.834 -16.789 -0.750 51 HG13 VAL 11 3HG1 VAL 11 11.865 -15.485 -1.386 52 HG21 VAL 11 1HG2 VAL 11 12.106 -19.108 -0.216 53 HG22 VAL 11 2HG2 VAL 11 11.526 -19.094 -1.899 54 HG23 VAL 11 3HG2 VAL 11 13.213 -19.536 -1.542 55 H VAL 12 H VAL 12 12.300 -15.361 -3.611 56 HA VAL 12 HA VAL 12 14.461 -13.497 -3.926 57 HB VAL 12 HB VAL 12 12.575 -13.882 -5.542 58 HG11 VAL 12 1HG1 VAL 12 11.025 -12.602 -3.293 59 HG12 VAL 12 2HG1 VAL 12 10.505 -12.422 -4.985 60 HG13 VAL 12 3HG1 VAL 12 10.627 -14.043 -4.259 61 HG21 VAL 12 1HG2 VAL 12 12.506 -11.612 -6.264 62 HG22 VAL 12 2HG2 VAL 12 12.773 -11.004 -4.613 63 HG23 VAL 12 3HG2 VAL 12 14.083 -11.847 -5.474 64 H HIS 13 H HIS 13 14.214 -11.191 -3.106 65 HA HIS 13 HA HIS 13 13.223 -11.329 -0.355 66 HB2 HIS 13 1HB HIS 13 14.868 -9.600 0.166 67 HB3 HIS 13 2HB HIS 13 15.625 -11.034 -0.497 68 HD1 HIS 13 1HD HIS 13 16.659 -10.853 -2.918 69 HD2 HIS 13 2HD HIS 13 15.139 -7.261 -1.373 70 HE1 HIS 13 1HE HIS 13 17.566 -8.992 -4.410 71 H THR 14 H THR 14 12.525 -9.080 0.520 72 HA THR 14 HA THR 14 11.165 -7.574 -1.609 73 HB THR 14 HB THR 14 9.278 -7.435 0.243 74 HG1 THR 14 1HG THR 14 10.731 -9.920 0.814 75 HG21 THR 14 1HG2 THR 14 9.006 -8.746 -1.898 76 HG22 THR 14 2HG2 THR 14 9.837 -10.118 -1.128 77 HG23 THR 14 3HG2 THR 14 8.263 -9.568 -0.505 78 H GLU 15 H GLU 15 10.653 -5.348 -1.068 79 HA GLU 15 HA GLU 15 12.250 -4.389 1.168 80 HB2 GLU 15 1HB GLU 15 12.271 -3.362 -1.697 81 HB3 GLU 15 2HB GLU 15 12.843 -2.390 -0.355 82 HG2 GLU 15 1HG GLU 15 14.121 -4.845 0.072 83 HG3 GLU 15 2HG GLU 15 14.123 -4.706 -1.675 84 H THR 16 H THR 16 11.482 -2.385 2.133 85 HA THR 16 HA THR 16 8.669 -1.857 1.449 86 HB THR 16 HB THR 16 8.897 -0.855 3.923 87 HG1 THR 16 1HG THR 16 11.060 -1.206 4.388 88 HG21 THR 16 1HG2 THR 16 8.900 -3.831 3.219 89 HG22 THR 16 2HG2 THR 16 8.650 -3.232 4.876 90 HG23 THR 16 3HG2 THR 16 7.488 -2.813 3.594 91 H THR 17 H THR 17 7.882 0.342 1.516 92 HA THR 17 HA THR 17 9.967 2.381 1.320 93 HB THR 17 HB THR 17 9.536 1.447 -0.992 94 HG1 THR 17 1HG THR 17 10.032 3.743 -0.560 95 HG21 THR 17 1HG2 THR 17 6.717 2.413 -0.317 96 HG22 THR 17 2HG2 THR 17 7.299 2.289 -1.994 97 HG23 THR 17 3HG2 THR 17 7.195 0.831 -0.977 98 H GLU 18 H GLU 18 9.295 4.481 1.844 99 HA GLU 18 HA GLU 18 6.736 4.460 3.219 100 HB2 GLU 18 1HB GLU 18 8.497 5.065 4.710 101 HB3 GLU 18 2HB GLU 18 9.263 6.110 3.531 102 HG2 GLU 18 1HG GLU 18 6.516 6.985 3.988 103 HG3 GLU 18 2HG GLU 18 7.356 6.846 5.520 104 H VAL 19 H VAL 19 5.020 5.475 2.280 105 HA VAL 19 HA VAL 19 5.613 7.350 0.116 106 HB VAL 19 HB VAL 19 2.995 6.033 0.849 107 HG11 VAL 19 1HG1 VAL 19 3.935 7.809 -1.354 108 HG12 VAL 19 2HG1 VAL 19 2.828 6.486 -1.791 109 HG13 VAL 19 3HG1 VAL 19 2.339 7.691 -0.575 110 HG21 VAL 19 1HG2 VAL 19 5.349 4.817 -0.226 111 HG22 VAL 19 2HG2 VAL 19 3.739 4.100 0.028 112 HG23 VAL 19 3HG2 VAL 19 4.124 4.899 -1.515 113 H VAL 20 H VAL 20 5.572 9.482 0.582 114 HA VAL 20 HA VAL 20 4.037 10.300 2.936 115 HB VAL 20 HB VAL 20 6.366 11.480 1.430 116 HG11 VAL 20 1HG1 VAL 20 6.254 13.471 2.742 117 HG12 VAL 20 2HG1 VAL 20 4.643 13.237 2.022 118 HG13 VAL 20 3HG1 VAL 20 4.923 12.826 3.731 119 HG21 VAL 20 1HG2 VAL 20 6.930 11.496 4.133 120 HG22 VAL 20 2HG2 VAL 20 5.983 10.002 3.938 121 HG23 VAL 20 3HG2 VAL 20 7.453 10.256 2.968 122 H LEU 21 H LEU 21 2.058 11.155 2.597 123 HA LEU 21 HA LEU 21 1.647 12.534 0.035 124 HB2 LEU 21 1HB LEU 21 -0.391 10.958 1.610 125 HB3 LEU 21 2HB LEU 21 -0.653 11.777 0.083 126 HG LEU 21 HG LEU 21 1.337 9.522 0.407 127 HD11 LEU 21 1HD1 LEU 21 -0.347 8.094 0.631 128 HD12 LEU 21 2HD1 LEU 21 -1.550 9.389 0.430 129 HD13 LEU 21 3HD1 LEU 21 -0.889 8.559 -0.999 130 HD21 LEU 21 1HD2 LEU 21 0.218 11.058 -1.914 131 HD22 LEU 21 2HD2 LEU 21 1.898 10.593 -1.555 132 HD23 LEU 21 3HD2 LEU 21 0.740 9.370 -2.132 133 H THR 22 H THR 22 0.947 14.624 0.135 134 HA THR 22 HA THR 22 0.477 15.676 2.832 135 HB THR 22 HB THR 22 0.941 17.304 0.307 136 HG1 THR 22 1HG THR 22 2.798 15.850 2.056 137 HG21 THR 22 1HG2 THR 22 2.255 18.701 1.931 138 HG22 THR 22 2HG2 THR 22 0.554 18.543 2.431 139 HG23 THR 22 3HG2 THR 22 1.811 17.571 3.233 140 H ALA 23 H ALA 23 -1.580 15.745 3.475 141 HA ALA 23 HA ALA 23 -3.785 15.395 1.947 142 HB1 ALA 23 1HB ALA 23 -3.796 15.387 4.387 143 HB2 ALA 23 2HB ALA 23 -3.428 17.128 4.426 144 HB3 ALA 23 3HB ALA 23 -4.995 16.563 3.798 145 H ASP 24 H ASP 24 -4.016 16.400 -0.030 146 HA ASP 24 HA ASP 24 -3.214 18.944 -0.600 147 HB2 ASP 24 1HB ASP 24 -4.604 16.838 -1.895 148 HB3 ASP 24 2HB ASP 24 -5.678 18.217 -2.023 149 HA PRO 25 HA PRO 25 -6.437 21.464 0.984 150 HB2 PRO 25 1HB PRO 25 -6.733 23.434 -0.886 151 HB3 PRO 25 2HB PRO 25 -5.430 23.413 0.285 152 HG2 PRO 25 1HG PRO 25 -5.339 22.777 -2.600 153 HG3 PRO 25 2HG PRO 25 -4.017 23.173 -1.522 154 HD2 PRO 25 1HD PRO 25 -4.721 20.566 -2.489 155 HD3 PRO 25 2HD PRO 25 -3.472 20.948 -1.321 156 H VAL 26 H VAL 26 -7.011 19.420 -1.441 157 HA VAL 26 HA VAL 26 -9.869 19.933 -1.203 158 HB VAL 26 HB VAL 26 -10.034 19.450 -3.698 159 HG11 VAL 26 1HG1 VAL 26 -8.858 22.068 -2.708 160 HG12 VAL 26 2HG1 VAL 26 -9.633 21.843 -4.294 161 HG13 VAL 26 3HG1 VAL 26 -10.580 21.626 -2.802 162 HG21 VAL 26 1HG2 VAL 26 -7.975 18.741 -4.450 163 HG22 VAL 26 2HG2 VAL 26 -7.899 20.468 -4.875 164 HG23 VAL 26 3HG2 VAL 26 -7.079 19.875 -3.411 165 H THR 27 H THR 27 -7.420 17.800 -2.847 166 HA THR 27 HA THR 27 -9.005 15.506 -1.914 167 HB THR 27 HB THR 27 -7.576 14.364 -3.768 168 HG1 THR 27 1HG THR 27 -5.999 15.868 -4.277 169 HG21 THR 27 1HG2 THR 27 -9.551 14.689 -4.887 170 HG22 THR 27 2HG2 THR 27 -9.842 16.233 -4.052 171 HG23 THR 27 3HG2 THR 27 -8.828 16.189 -5.514 172 H GLY 28 H GLY 28 -8.038 16.054 0.280 173 HA2 GLY 28 1HA GLY 28 -5.644 16.109 1.238 174 HA3 GLY 28 2HA GLY 28 -6.762 14.898 1.834 175 H PHE 29 H PHE 29 -6.638 12.685 1.040 176 HA PHE 29 HA PHE 29 -4.056 12.132 -0.244 177 HB2 PHE 29 1HB PHE 29 -5.714 10.276 1.543 178 HB3 PHE 29 2HB PHE 29 -4.008 10.134 1.169 179 HD1 PHE 29 1HD PHE 29 -2.661 12.416 1.870 180 HD2 PHE 29 2HD PHE 29 -6.190 10.925 3.693 181 HE1 PHE 29 1HE PHE 29 -2.094 13.653 3.980 182 HE2 PHE 29 2HE PHE 29 -5.624 12.161 5.802 183 HZ PHE 29 HZ PHE 29 -3.582 13.510 5.921 184 H GLY 30 H GLY 30 -7.559 11.542 -0.138 185 HA2 GLY 30 1HA GLY 30 -8.939 10.368 -1.476 186 HA3 GLY 30 2HA GLY 30 -7.860 10.860 -2.766 187 H ILE 31 H ILE 31 -8.079 8.418 -0.082 188 HA ILE 31 HA ILE 31 -7.142 6.425 -2.005 189 HB ILE 31 HB ILE 31 -6.092 6.663 0.814 190 HG12 ILE 31 1HG1 ILE 31 -4.735 7.401 -1.795 191 HG13 ILE 31 2HG1 ILE 31 -5.294 8.530 -0.577 192 HG21 ILE 31 1HG2 ILE 31 -4.744 5.017 -1.256 193 HG22 ILE 31 2HG2 ILE 31 -4.952 4.736 0.490 194 HG23 ILE 31 3HG2 ILE 31 -6.295 4.408 -0.631 195 HD11 ILE 31 1HD1 ILE 31 -3.253 6.324 -0.043 196 HD12 ILE 31 2HD1 ILE 31 -2.836 8.016 -0.403 197 HD13 ILE 31 3HD1 ILE 31 -3.737 7.618 1.080 198 H GLN 32 H GLN 32 -8.097 4.385 -1.776 199 HA GLN 32 HA GLN 32 -10.073 4.247 0.366 200 HB2 GLN 32 1HB GLN 32 -10.406 3.953 -2.575 201 HB3 GLN 32 2HB GLN 32 -11.182 2.698 -1.630 202 HG2 GLN 32 1HG GLN 32 -11.555 5.509 -0.650 203 HG3 GLN 32 2HG GLN 32 -12.348 5.107 -2.160 204 HE21 GLN 32 1HE2 GLN 32 -14.261 5.543 -0.839 205 HE22 GLN 32 2HE2 GLN 32 -14.974 4.260 0.081 206 H LEU 33 H LEU 33 -10.362 2.189 1.356 207 HA LEU 33 HA LEU 33 -8.238 0.290 0.675 208 HB2 LEU 33 1HB LEU 33 -9.817 0.654 3.226 209 HB3 LEU 33 2HB LEU 33 -8.588 -0.567 2.959 210 HG LEU 33 HG LEU 33 -7.808 1.385 4.280 211 HD11 LEU 33 1HD1 LEU 33 -5.858 0.599 3.559 212 HD12 LEU 33 2HD1 LEU 33 -6.525 0.216 1.953 213 HD13 LEU 33 3HD1 LEU 33 -5.908 1.851 2.294 214 HD21 LEU 33 1HD2 LEU 33 -9.228 2.988 2.766 215 HD22 LEU 33 2HD2 LEU 33 -7.706 3.545 3.502 216 HD23 LEU 33 3HD2 LEU 33 -7.740 3.053 1.792 217 H GLN 34 H GLN 34 -8.832 -2.078 0.988 218 HA GLN 34 HA GLN 34 -11.498 -2.436 -0.127 219 HB2 GLN 34 1HB GLN 34 -8.936 -3.394 -0.941 220 HB3 GLN 34 2HB GLN 34 -9.815 -4.793 -0.355 221 HG2 GLN 34 1HG GLN 34 -11.114 -2.812 -2.264 222 HG3 GLN 34 2HG GLN 34 -10.106 -4.115 -2.862 223 HE21 GLN 34 1HE2 GLN 34 -10.620 -6.318 -2.060 224 HE22 GLN 34 2HE2 GLN 34 -12.283 -6.773 -1.891 225 H GLY 35 H GLY 35 -12.730 -4.392 0.563 226 HA2 GLY 35 1HA GLY 35 -12.134 -5.038 3.383 227 HA3 GLY 35 2HA GLY 35 -13.727 -4.992 2.655 228 H SER 36 H SER 36 -14.378 -7.128 3.003 229 HA SER 36 HA SER 36 -13.533 -9.000 1.160 230 HB2 SER 36 1HB SER 36 -11.953 -8.940 3.625 231 HB3 SER 36 2HB SER 36 -12.758 -10.485 3.439 232 HG SER 36 HG SER 36 -11.864 -10.126 1.041 233 H VAL 37 H VAL 37 -14.451 -11.333 1.910 234 HA VAL 37 HA VAL 37 -16.935 -10.779 3.382 235 HB VAL 37 HB VAL 37 -18.032 -12.372 1.961 236 HG11 VAL 37 1HG1 VAL 37 -16.872 -9.923 1.021 237 HG12 VAL 37 2HG1 VAL 37 -16.944 -11.080 -0.330 238 HG13 VAL 37 3HG1 VAL 37 -18.423 -10.673 0.573 239 HG21 VAL 37 1HG2 VAL 37 -16.129 -13.919 1.641 240 HG22 VAL 37 2HG2 VAL 37 -16.929 -13.506 0.105 241 HG23 VAL 37 3HG2 VAL 37 -15.377 -12.746 0.533 242 H PHE 38 H PHE 38 -14.258 -13.074 2.682 243 HA PHE 38 HA PHE 38 -15.150 -14.672 4.965 244 HB2 PHE 38 1HB PHE 38 -13.522 -15.043 2.432 245 HB3 PHE 38 2HB PHE 38 -13.077 -16.044 3.800 246 HD1 PHE 38 2HD PHE 38 -15.102 -17.301 4.951 247 HD2 PHE 38 1HD PHE 38 -15.135 -15.823 0.973 248 HE1 PHE 38 2HE PHE 38 -16.935 -18.913 4.368 249 HE2 PHE 38 1HE PHE 38 -16.968 -17.436 0.390 250 HZ PHE 38 HZ PHE 38 -17.846 -18.961 2.094 251 H ALA 39 H ALA 39 -13.851 -14.967 6.781 252 HA ALA 39 HA ALA 39 -11.118 -14.398 6.851 253 HB1 ALA 39 1HB ALA 39 -11.085 -12.285 8.048 254 HB2 ALA 39 2HB ALA 39 -11.967 -12.058 6.519 255 HB3 ALA 39 3HB ALA 39 -12.863 -12.211 8.050 256 H THR 40 H THR 40 -10.928 -13.563 9.587 257 HA THR 40 HA THR 40 -12.484 -15.652 10.955 258 HB THR 40 HB THR 40 -9.486 -15.121 10.907 259 HG1 THR 40 1HG THR 40 -10.542 -16.771 9.550 260 HG21 THR 40 1HG2 THR 40 -10.983 -16.842 12.948 261 HG22 THR 40 2HG2 THR 40 -9.225 -16.574 12.852 262 HG23 THR 40 3HG2 THR 40 -10.303 -15.243 13.336 263 H GLU 41 H GLU 41 -10.014 -13.245 12.025 264 HA GLU 41 HA GLU 41 -12.035 -12.314 13.892 265 HB2 GLU 41 1HB GLU 41 -9.761 -13.173 14.698 266 HB3 GLU 41 2HB GLU 41 -9.041 -11.757 13.958 267 HG2 GLU 41 1HG GLU 41 -11.222 -10.756 15.475 268 HG3 GLU 41 2HG GLU 41 -10.489 -11.980 16.494 269 H THR 42 H THR 42 -9.868 -11.332 11.236 270 HA THR 42 HA THR 42 -11.183 -8.698 11.272 271 HB THR 42 HB THR 42 -9.040 -7.679 10.720 272 HG1 THR 42 1HG THR 42 -8.183 -10.489 10.712 273 HG21 THR 42 1HG2 THR 42 -9.331 -9.240 13.131 274 HG22 THR 42 2HG2 THR 42 -7.662 -9.446 12.549 275 HG23 THR 42 3HG2 THR 42 -8.296 -7.815 12.873 276 H LEU 43 H LEU 43 -9.200 -8.424 8.776 277 HA LEU 43 HA LEU 43 -11.235 -9.423 6.948 278 HB2 LEU 43 1HB LEU 43 -8.888 -7.692 6.228 279 HB3 LEU 43 2HB LEU 43 -10.414 -7.883 5.387 280 HG LEU 43 HG LEU 43 -10.145 -6.584 8.110 281 HD11 LEU 43 1HD1 LEU 43 -10.342 -5.240 5.400 282 HD12 LEU 43 2HD1 LEU 43 -10.320 -4.434 6.987 283 HD13 LEU 43 3HD1 LEU 43 -8.885 -5.320 6.419 284 HD21 LEU 43 1HD2 LEU 43 -12.435 -6.387 6.145 285 HD22 LEU 43 2HD2 LEU 43 -12.369 -7.589 7.457 286 HD23 LEU 43 3HD2 LEU 43 -12.384 -5.851 7.842 287 H SER 44 H SER 44 -8.859 -10.889 8.485 288 HA SER 44 HA SER 44 -7.261 -12.330 8.023 289 HB2 SER 44 1HB SER 44 -9.499 -13.512 7.611 290 HB3 SER 44 2HB SER 44 -9.208 -13.310 5.895 291 HG SER 44 HG SER 44 -7.676 -14.843 5.919 292 H SER 45 H SER 45 -6.937 -9.829 6.530 293 HA SER 45 HA SER 45 -4.942 -10.620 4.800 294 HB2 SER 45 1HB SER 45 -5.801 -10.461 2.647 295 HB3 SER 45 2HB SER 45 -7.173 -11.169 3.477 296 HG SER 45 HG SER 45 -8.242 -9.203 3.495 297 HA PRO 46 HA PRO 46 -4.148 -6.373 5.311 298 HB2 PRO 46 1HB PRO 46 -2.426 -5.814 3.264 299 HB3 PRO 46 2HB PRO 46 -1.930 -6.615 4.742 300 HG2 PRO 46 1HG PRO 46 -2.355 -7.777 2.057 301 HG3 PRO 46 2HG PRO 46 -1.471 -8.445 3.415 302 HD2 PRO 46 1HD PRO 46 -4.088 -9.211 2.526 303 HD3 PRO 46 2HD PRO 46 -3.252 -9.796 3.951 304 HA PRO 47 HA PRO 47 -6.828 -4.034 2.994 305 HB2 PRO 47 1HB PRO 47 -6.229 -1.514 3.865 306 HB3 PRO 47 2HB PRO 47 -7.270 -2.612 4.750 307 HG2 PRO 47 1HG PRO 47 -4.474 -1.841 5.323 308 HG3 PRO 47 2HG PRO 47 -5.651 -2.578 6.392 309 HD2 PRO 47 1HD PRO 47 -3.455 -3.888 5.094 310 HD3 PRO 47 2HD PRO 47 -4.698 -4.645 6.069 311 H LEU 48 H LEU 48 -6.551 -4.172 0.844 312 HA LEU 48 HA LEU 48 -4.182 -2.864 -0.204 313 HB2 LEU 48 1HB LEU 48 -6.245 -4.292 -1.842 314 HB3 LEU 48 2HB LEU 48 -4.535 -4.070 -2.156 315 HG LEU 48 HG LEU 48 -5.269 -5.665 0.254 316 HD11 LEU 48 1HD1 LEU 48 -5.380 -7.712 -1.323 317 HD12 LEU 48 2HD1 LEU 48 -6.835 -6.708 -1.110 318 HD13 LEU 48 3HD1 LEU 48 -5.836 -6.529 -2.572 319 HD21 LEU 48 1HD2 LEU 48 -2.932 -5.247 -0.263 320 HD22 LEU 48 2HD2 LEU 48 -3.308 -6.977 -0.443 321 HD23 LEU 48 3HD2 LEU 48 -3.141 -5.949 -1.886 322 H ILE 49 H ILE 49 -4.248 -1.171 -1.776 323 HA ILE 49 HA ILE 49 -6.199 0.763 -1.253 324 HB ILE 49 HB ILE 49 -3.976 0.439 -3.228 325 HG12 ILE 49 1HG1 ILE 49 -4.528 2.482 -1.056 326 HG13 ILE 49 2HG1 ILE 49 -3.510 1.067 -0.876 327 HG21 ILE 49 1HG2 ILE 49 -6.151 2.525 -3.310 328 HG22 ILE 49 2HG2 ILE 49 -4.512 2.846 -3.926 329 HG23 ILE 49 3HG2 ILE 49 -5.490 1.538 -4.635 330 HD11 ILE 49 1HD1 ILE 49 -2.879 3.642 -2.095 331 HD12 ILE 49 2HD1 ILE 49 -1.784 2.310 -1.656 332 HD13 ILE 49 3HD1 ILE 49 -2.586 2.315 -3.245 333 H SER 50 H SER 50 -8.324 0.448 -1.703 334 HA SER 50 HA SER 50 -9.173 -1.212 -3.770 335 HB2 SER 50 1HB SER 50 -10.666 -0.887 -1.944 336 HB3 SER 50 2HB SER 50 -10.533 0.858 -2.022 337 HG SER 50 HG SER 50 -11.648 0.759 -4.119 338 H TYR 51 H TYR 51 -9.192 2.410 -3.405 339 HA TYR 51 HA TYR 51 -8.923 2.609 -6.304 340 HB2 TYR 51 1HB TYR 51 -11.367 2.759 -5.702 341 HB3 TYR 51 2HB TYR 51 -11.002 3.935 -4.454 342 HD1 TYR 51 1HD TYR 51 -10.892 3.411 -8.149 343 HD2 TYR 51 2HD TYR 51 -10.980 6.243 -4.943 344 HE1 TYR 51 1HE TYR 51 -11.241 5.299 -9.816 345 HE2 TYR 51 2HE TYR 51 -11.329 8.121 -6.621 346 HH TYR 51 HH TYR 51 -11.351 8.669 -8.726 347 H ILE 52 H ILE 52 -8.295 4.856 -6.987 348 HA ILE 52 HA ILE 52 -7.109 6.384 -4.795 349 HB ILE 52 HB ILE 52 -5.674 5.409 -7.263 350 HG12 ILE 52 1HG1 ILE 52 -4.722 5.079 -4.434 351 HG13 ILE 52 2HG1 ILE 52 -5.953 3.999 -5.057 352 HG21 ILE 52 1HG2 ILE 52 -4.655 7.358 -5.180 353 HG22 ILE 52 2HG2 ILE 52 -3.791 6.761 -6.617 354 HG23 ILE 52 3HG2 ILE 52 -5.217 7.809 -6.808 355 HD11 ILE 52 1HD1 ILE 52 -4.256 2.785 -5.950 356 HD12 ILE 52 2HD1 ILE 52 -4.073 4.098 -7.138 357 HD13 ILE 52 3HD1 ILE 52 -3.081 4.090 -5.660 358 H GLU 53 H GLU 53 -8.269 8.243 -4.877 359 HA GLU 53 HA GLU 53 -9.666 9.146 -7.009 360 HB2 GLU 53 1HB GLU 53 -8.725 10.228 -4.447 361 HB3 GLU 53 2HB GLU 53 -8.850 11.483 -5.663 362 HG2 GLU 53 1HG GLU 53 -11.015 11.383 -4.650 363 HG3 GLU 53 2HG GLU 53 -11.199 10.579 -6.197 364 H ALA 54 H ALA 54 -9.319 10.953 -8.536 365 HA ALA 54 HA ALA 54 -6.604 10.886 -9.550 366 HB1 ALA 54 1HB ALA 54 -7.967 10.658 -11.365 367 HB2 ALA 54 2HB ALA 54 -9.334 11.476 -10.574 368 HB3 ALA 54 3HB ALA 54 -8.016 12.435 -11.289 369 H ASP 55 H ASP 55 -5.631 13.012 -10.337 370 HA ASP 55 HA ASP 55 -4.777 14.943 -9.844 371 HB2 ASP 55 1HB ASP 55 -7.095 15.697 -10.506 372 HB3 ASP 55 2HB ASP 55 -7.569 15.644 -8.819 373 H SER 56 H SER 56 -5.158 12.749 -7.674 374 HA SER 56 HA SER 56 -5.057 14.450 -5.321 375 HB2 SER 56 1HB SER 56 -5.979 12.725 -4.140 376 HB3 SER 56 2HB SER 56 -6.479 12.158 -5.721 377 HG SER 56 HG SER 56 -5.394 10.390 -5.157 378 HA PRO 57 HA PRO 57 -0.840 13.546 -4.725 379 HB2 PRO 57 1HB PRO 57 -0.566 13.225 -2.025 380 HB3 PRO 57 2HB PRO 57 -0.707 14.793 -2.794 381 HG2 PRO 57 1HG PRO 57 -2.733 13.301 -1.242 382 HG3 PRO 57 2HG PRO 57 -2.697 15.006 -1.646 383 HD2 PRO 57 1HD PRO 57 -4.317 12.984 -2.878 384 HD3 PRO 57 2HD PRO 57 -4.194 14.665 -3.357 385 H ALA 58 H ALA 58 -3.086 11.184 -3.756 386 HA ALA 58 HA ALA 58 -1.133 9.194 -3.161 387 HB1 ALA 58 1HB ALA 58 -4.114 9.082 -3.770 388 HB2 ALA 58 2HB ALA 58 -3.143 7.696 -3.218 389 HB3 ALA 58 3HB ALA 58 -3.349 9.114 -2.163 390 H GLU 59 H GLU 59 -2.724 10.474 -6.050 391 HA GLU 59 HA GLU 59 -1.777 8.199 -7.571 392 HB2 GLU 59 1HB GLU 59 -4.132 9.118 -7.859 393 HB3 GLU 59 2HB GLU 59 -3.428 10.576 -8.529 394 HG2 GLU 59 1HG GLU 59 -3.948 9.229 -10.430 395 HG3 GLU 59 2HG GLU 59 -2.215 9.061 -10.229 396 H ARG 60 H ARG 60 -1.401 11.762 -7.225 397 HA ARG 60 HA ARG 60 0.060 12.385 -9.347 398 HB2 ARG 60 1HB ARG 60 0.047 13.277 -6.490 399 HB3 ARG 60 2HB ARG 60 1.464 13.753 -7.405 400 HG2 ARG 60 1HG ARG 60 -0.793 14.227 -9.105 401 HG3 ARG 60 2HG ARG 60 -1.227 14.844 -7.524 402 HD2 ARG 60 1HD ARG 60 0.716 16.297 -7.450 403 HD3 ARG 60 2HD ARG 60 1.447 15.506 -8.833 404 HE ARG 60 HE ARG 60 -0.666 17.536 -8.895 405 HH11 ARG 60 2HH2 ARG 60 0.860 14.910 -10.674 406 HH12 ARG 60 1HH2 ARG 60 0.344 15.489 -12.223 407 HH21 ARG 60 2HH1 ARG 60 -1.348 18.299 -10.938 408 HH22 ARG 60 1HH1 ARG 60 -0.921 17.430 -12.374 409 H CYS 61 H CYS 61 1.424 11.089 -6.225 410 HA CYS 61 HA CYS 61 4.042 10.924 -7.112 411 HB2 CYS 61 1HB CYS 61 2.785 9.078 -5.064 412 HB3 CYS 61 2HB CYS 61 4.462 9.573 -5.178 413 HG CYS 61 HG CYS 61 2.171 10.768 -3.535 414 H GLY 62 H GLY 62 1.186 8.818 -7.505 415 HA2 GLY 62 1HA GLY 62 0.819 7.011 -8.788 416 HA3 GLY 62 2HA GLY 62 2.227 7.467 -9.726 417 H VAL 63 H VAL 63 2.817 7.051 -6.309 418 HA VAL 63 HA VAL 63 4.326 4.645 -6.914 419 HB VAL 63 HB VAL 63 5.262 5.023 -4.658 420 HG11 VAL 63 1HG1 VAL 63 6.264 7.370 -5.267 421 HG12 VAL 63 2HG1 VAL 63 6.601 5.960 -6.300 422 HG13 VAL 63 3HG1 VAL 63 5.364 7.145 -6.787 423 HG21 VAL 63 1HG2 VAL 63 4.450 6.500 -3.167 424 HG22 VAL 63 2HG2 VAL 63 4.186 7.752 -4.405 425 HG23 VAL 63 3HG2 VAL 63 2.976 6.468 -4.164 426 H LEU 64 H LEU 64 1.173 5.312 -6.202 427 HA LEU 64 HA LEU 64 0.944 2.892 -4.549 428 HB2 LEU 64 1HB LEU 64 -0.921 5.267 -4.547 429 HB3 LEU 64 2HB LEU 64 -1.027 3.840 -3.534 430 HG LEU 64 HG LEU 64 1.510 5.377 -3.353 431 HD11 LEU 64 1HD1 LEU 64 0.685 7.355 -2.790 432 HD12 LEU 64 2HD1 LEU 64 -0.936 6.784 -3.253 433 HD13 LEU 64 3HD1 LEU 64 -0.377 6.609 -1.572 434 HD21 LEU 64 1HD2 LEU 64 -0.181 4.518 -1.037 435 HD22 LEU 64 2HD2 LEU 64 0.657 3.285 -2.009 436 HD23 LEU 64 3HD2 LEU 64 1.590 4.571 -1.206 437 H GLN 65 H GLN 65 0.252 1.229 -5.776 438 HA GLN 65 HA GLN 65 -1.309 1.876 -8.118 439 HB2 GLN 65 1HB GLN 65 0.698 0.325 -8.214 440 HB3 GLN 65 2HB GLN 65 -0.197 -0.823 -7.238 441 HG2 GLN 65 1HG GLN 65 -1.503 -1.489 -8.996 442 HG3 GLN 65 2HG GLN 65 -1.753 0.152 -9.557 443 HE21 GLN 65 1HE2 GLN 65 -1.457 -1.609 -11.454 444 HE22 GLN 65 2HE2 GLN 65 0.097 -1.555 -12.217 445 H ILE 66 H ILE 66 -3.342 0.728 -8.602 446 HA ILE 66 HA ILE 66 -5.036 0.644 -6.357 447 HB ILE 66 HB ILE 66 -5.350 -0.125 -9.250 448 HG12 ILE 66 1HG1 ILE 66 -5.073 2.287 -8.614 449 HG13 ILE 66 2HG1 ILE 66 -6.557 1.908 -9.466 450 HG21 ILE 66 1HG2 ILE 66 -7.899 0.171 -8.081 451 HG22 ILE 66 2HG2 ILE 66 -7.173 -1.296 -8.778 452 HG23 ILE 66 3HG2 ILE 66 -6.994 -0.954 -7.041 453 HD11 ILE 66 1HD1 ILE 66 -7.639 2.959 -7.767 454 HD12 ILE 66 2HD1 ILE 66 -7.259 1.527 -6.780 455 HD13 ILE 66 3HD1 ILE 66 -6.185 2.946 -6.740 456 H GLY 67 H GLY 67 -4.648 -0.852 -4.778 457 HA2 GLY 67 1HA GLY 67 -5.268 -3.056 -4.105 458 HA3 GLY 67 2HA GLY 67 -4.694 -3.675 -5.641 459 H ASP 68 H ASP 68 -2.962 -1.174 -3.744 460 HA ASP 68 HA ASP 68 -0.551 -2.425 -3.941 461 HB2 ASP 68 1HB ASP 68 0.218 -0.856 -2.233 462 HB3 ASP 68 2HB ASP 68 -0.927 -0.039 -3.279 463 H ARG 69 H ARG 69 0.585 -2.570 -1.329 464 HA ARG 69 HA ARG 69 -1.072 -4.550 -0.001 465 HB2 ARG 69 1HB ARG 69 1.369 -5.624 0.479 466 HB3 ARG 69 2HB ARG 69 0.411 -6.081 -0.915 467 HG2 ARG 69 1HG ARG 69 2.310 -3.720 -1.090 468 HG3 ARG 69 2HG ARG 69 2.925 -5.352 -1.254 469 HD2 ARG 69 1HD ARG 69 0.734 -5.440 -2.946 470 HD3 ARG 69 2HD ARG 69 1.234 -3.771 -3.131 471 HE ARG 69 HE ARG 69 2.750 -6.158 -3.951 472 HH11 ARG 69 2HH2 ARG 69 2.875 -2.705 -3.287 473 HH12 ARG 69 1HH2 ARG 69 4.307 -2.446 -4.228 474 HH21 ARG 69 2HH1 ARG 69 4.638 -5.818 -5.192 475 HH22 ARG 69 1HH1 ARG 69 5.316 -4.229 -5.318 476 H VAL 70 H VAL 70 -1.170 -2.061 0.979 477 HA VAL 70 HA VAL 70 0.801 -0.958 2.440 478 HB VAL 70 HB VAL 70 -1.627 -0.262 2.080 479 HG11 VAL 70 1HG1 VAL 70 -2.457 -2.423 3.240 480 HG12 VAL 70 2HG1 VAL 70 -2.125 -1.559 4.760 481 HG13 VAL 70 3HG1 VAL 70 -3.296 -0.894 3.596 482 HG21 VAL 70 1HG2 VAL 70 -1.416 0.593 4.755 483 HG22 VAL 70 2HG2 VAL 70 0.255 0.357 4.190 484 HG23 VAL 70 3HG2 VAL 70 -0.843 1.436 3.297 485 H MET 71 H MET 71 2.205 -1.719 3.927 486 HA MET 71 HA MET 71 1.445 -4.123 5.338 487 HB2 MET 71 1HB MET 71 4.114 -2.622 5.416 488 HB3 MET 71 2HB MET 71 3.841 -4.303 5.831 489 HG2 MET 71 1HG MET 71 3.424 -3.141 3.033 490 HG3 MET 71 2HG MET 71 4.877 -3.978 3.543 491 HE1 MET 71 1HE MET 71 3.612 -6.346 5.491 492 HE2 MET 71 2HE MET 71 3.751 -7.575 4.210 493 HE3 MET 71 3HE MET 71 5.002 -6.320 4.379 494 H ALA 72 H ALA 72 1.566 -0.697 5.794 495 HA ALA 72 HA ALA 72 0.569 -0.853 8.396 496 HB1 ALA 72 1HB ALA 72 2.494 0.073 9.647 497 HB2 ALA 72 2HB ALA 72 2.858 -1.540 8.988 498 HB3 ALA 72 3HB ALA 72 3.510 -0.086 8.194 499 H ILE 73 H ILE 73 0.152 1.341 9.278 500 HA ILE 73 HA ILE 73 0.462 3.397 7.204 501 HB ILE 73 HB ILE 73 -1.970 2.743 8.865 502 HG12 ILE 73 1HG1 ILE 73 -1.653 2.893 5.856 503 HG13 ILE 73 2HG1 ILE 73 -1.521 1.406 6.774 504 HG21 ILE 73 1HG2 ILE 73 -3.035 4.702 8.015 505 HG22 ILE 73 2HG2 ILE 73 -1.494 5.203 8.751 506 HG23 ILE 73 3HG2 ILE 73 -1.639 5.089 6.981 507 HD11 ILE 73 1HD1 ILE 73 -3.781 1.283 7.167 508 HD12 ILE 73 2HD1 ILE 73 -3.939 3.043 7.384 509 HD13 ILE 73 3HD1 ILE 73 -3.874 2.350 5.745 510 H ASN 74 H ASN 74 2.304 4.301 8.195 511 HA ASN 74 HA ASN 74 3.152 5.918 9.427 512 HB2 ASN 74 1HB ASN 74 0.940 5.693 11.512 513 HB3 ASN 74 2HB ASN 74 1.946 7.083 11.157 514 HD21 ASN 74 1HD2 ASN 74 -0.745 7.347 11.299 515 HD22 ASN 74 2HD2 ASN 74 -1.435 7.663 9.743 516 H GLY 75 H GLY 75 2.875 2.777 9.908 517 HA2 GLY 75 1HA GLY 75 4.642 1.713 11.176 518 HA3 GLY 75 2HA GLY 75 4.268 2.776 12.518 519 H ILE 76 H ILE 76 1.268 2.560 11.915 520 HA ILE 76 HA ILE 76 0.719 0.486 13.698 521 HB ILE 76 HB ILE 76 -1.004 2.045 11.777 522 HG12 ILE 76 1HG1 ILE 76 -0.183 2.351 14.646 523 HG13 ILE 76 2HG1 ILE 76 -0.243 3.548 13.368 524 HG21 ILE 76 1HG2 ILE 76 -2.051 0.358 14.049 525 HG22 ILE 76 2HG2 ILE 76 -2.949 1.137 12.724 526 HG23 ILE 76 3HG2 ILE 76 -1.906 -0.266 12.388 527 HD11 ILE 76 1HD1 ILE 76 -2.081 3.899 14.989 528 HD12 ILE 76 2HD1 ILE 76 -2.732 3.469 13.389 529 HD13 ILE 76 3HD1 ILE 76 -2.673 2.248 14.684 530 HA PRO 77 HA PRO 77 0.790 -2.943 11.063 531 HB2 PRO 77 1HB PRO 77 -0.432 -4.780 12.676 532 HB3 PRO 77 2HB PRO 77 1.263 -4.358 12.817 533 HG2 PRO 77 1HG PRO 77 -0.993 -3.570 14.556 534 HG3 PRO 77 2HG PRO 77 0.725 -3.525 14.899 535 HD2 PRO 77 1HD PRO 77 -0.951 -1.294 14.235 536 HD3 PRO 77 2HD PRO 77 0.786 -1.268 14.463 537 H THR 78 H THR 78 -0.293 -2.908 9.198 538 HA THR 78 HA THR 78 -3.147 -2.534 9.334 539 HB THR 78 HB THR 78 -2.738 -2.772 6.747 540 HG1 THR 78 1HG THR 78 -0.658 -3.879 7.099 541 HG21 THR 78 1HG2 THR 78 -2.906 -0.503 7.456 542 HG22 THR 78 2HG2 THR 78 -1.498 -0.646 8.535 543 HG23 THR 78 3HG2 THR 78 -1.265 -0.581 6.772 544 H GLU 79 H GLU 79 -3.327 -4.563 10.749 545 HA GLU 79 HA GLU 79 -4.592 -6.478 9.266 546 HB2 GLU 79 1HB GLU 79 -1.730 -6.866 9.277 547 HB3 GLU 79 2HB GLU 79 -2.462 -8.157 10.208 548 HG2 GLU 79 1HG GLU 79 -4.184 -8.053 8.059 549 HG3 GLU 79 2HG GLU 79 -2.687 -7.558 7.292 550 H ASP 80 H ASP 80 -4.996 -4.921 11.622 551 HA ASP 80 HA ASP 80 -5.777 -6.993 13.362 552 HB2 ASP 80 1HB ASP 80 -3.276 -6.516 13.920 553 HB3 ASP 80 2HB ASP 80 -3.826 -4.968 14.532 554 H SER 81 H SER 81 -7.480 -5.354 12.158 555 HA SER 81 HA SER 81 -8.696 -3.930 14.166 556 HB2 SER 81 1HB SER 81 -8.234 -1.681 12.507 557 HB3 SER 81 2HB SER 81 -7.692 -1.909 14.158 558 HG SER 81 HG SER 81 -6.184 -3.117 12.046 559 H THR 82 H THR 82 -10.225 -2.048 12.766 560 HA THR 82 HA THR 82 -11.506 -3.770 10.769 561 HB THR 82 HB THR 82 -13.524 -2.667 11.411 562 HG1 THR 82 1HG THR 82 -11.588 -0.706 12.414 563 HG21 THR 82 1HG2 THR 82 -12.442 -3.930 13.394 564 HG22 THR 82 2HG2 THR 82 -11.863 -2.343 13.955 565 HG23 THR 82 3HG2 THR 82 -13.610 -2.660 13.832 566 H PHE 83 H PHE 83 -12.260 -2.910 8.753 567 HA PHE 83 HA PHE 83 -10.388 -1.576 7.324 568 HB2 PHE 83 1HB PHE 83 -12.175 -2.644 6.145 569 HB3 PHE 83 2HB PHE 83 -13.398 -1.973 7.206 570 HD1 PHE 83 2HD PHE 83 -13.789 0.594 7.030 571 HD2 PHE 83 1HD PHE 83 -11.831 -1.703 4.048 572 HE1 PHE 83 2HE PHE 83 -14.285 2.376 5.333 573 HE2 PHE 83 1HE PHE 83 -12.326 0.078 2.351 574 HZ PHE 83 HZ PHE 83 -13.547 2.097 3.014 575 H GLU 84 H GLU 84 -12.810 -0.222 9.528 576 HA GLU 84 HA GLU 84 -12.773 2.365 8.475 577 HB2 GLU 84 1HB GLU 84 -13.581 1.155 11.130 578 HB3 GLU 84 2HB GLU 84 -13.573 2.896 10.934 579 HG2 GLU 84 1HG GLU 84 -15.218 2.830 9.192 580 HG3 GLU 84 2HG GLU 84 -14.978 1.117 8.908 581 H GLU 85 H GLU 85 -10.881 0.700 11.059 582 HA GLU 85 HA GLU 85 -9.615 2.725 12.220 583 HB2 GLU 85 1HB GLU 85 -9.262 -0.018 12.091 584 HB3 GLU 85 2HB GLU 85 -7.751 0.558 11.417 585 HG2 GLU 85 1HG GLU 85 -8.513 2.128 13.777 586 HG3 GLU 85 2HG GLU 85 -8.441 0.418 14.158 587 H ALA 86 H ALA 86 -8.157 1.009 9.354 588 HA ALA 86 HA ALA 86 -6.154 2.799 8.865 589 HB1 ALA 86 1HB ALA 86 -5.781 1.332 7.203 590 HB2 ALA 86 2HB ALA 86 -7.309 0.531 7.640 591 HB3 ALA 86 3HB ALA 86 -7.293 1.796 6.388 592 H ASN 87 H ASN 87 -9.469 2.767 7.366 593 HA ASN 87 HA ASN 87 -9.182 5.001 5.866 594 HB2 ASN 87 1HB ASN 87 -11.219 3.296 6.277 595 HB3 ASN 87 2HB ASN 87 -11.778 4.548 7.368 596 HD21 ASN 87 1HD2 ASN 87 -11.851 3.418 4.269 597 HD22 ASN 87 2HD2 ASN 87 -12.362 4.833 3.411 598 H GLN 88 H GLN 88 -9.347 4.634 9.349 599 HA GLN 88 HA GLN 88 -10.185 7.351 9.767 600 HB2 GLN 88 1HB GLN 88 -10.420 4.990 11.241 601 HB3 GLN 88 2HB GLN 88 -9.176 5.865 12.111 602 HG2 GLN 88 1HG GLN 88 -11.277 6.560 13.063 603 HG3 GLN 88 2HG GLN 88 -10.709 7.907 12.096 604 HE21 GLN 88 1HE2 GLN 88 -12.398 4.831 11.454 605 HE22 GLN 88 2HE2 GLN 88 -13.713 5.491 10.540 606 H LEU 89 H LEU 89 -7.241 5.327 9.839 607 HA LEU 89 HA LEU 89 -5.580 7.084 11.208 608 HB2 LEU 89 1HB LEU 89 -5.027 5.001 9.098 609 HB3 LEU 89 2HB LEU 89 -3.763 5.867 9.948 610 HG LEU 89 HG LEU 89 -5.720 3.849 11.024 611 HD11 LEU 89 1HD1 LEU 89 -3.770 2.689 11.772 612 HD12 LEU 89 2HD1 LEU 89 -3.513 3.149 10.072 613 HD13 LEU 89 3HD1 LEU 89 -2.721 4.071 11.372 614 HD21 LEU 89 1HD2 LEU 89 -4.146 5.864 12.646 615 HD22 LEU 89 2HD2 LEU 89 -5.912 5.648 12.596 616 HD23 LEU 89 3HD2 LEU 89 -4.880 4.386 13.312 617 H LEU 90 H LEU 90 -7.140 7.387 8.141 618 HA LEU 90 HA LEU 90 -5.129 9.116 7.022 619 HB2 LEU 90 1HB LEU 90 -7.836 8.138 6.165 620 HB3 LEU 90 2HB LEU 90 -7.053 9.460 5.323 621 HG LEU 90 HG LEU 90 -6.071 6.612 5.596 622 HD11 LEU 90 1HD1 LEU 90 -6.042 7.079 2.973 623 HD12 LEU 90 2HD1 LEU 90 -7.497 6.512 3.829 624 HD13 LEU 90 3HD1 LEU 90 -7.314 8.237 3.431 625 HD21 LEU 90 1HD2 LEU 90 -4.040 7.657 5.734 626 HD22 LEU 90 2HD2 LEU 90 -4.238 7.589 3.966 627 HD23 LEU 90 3HD2 LEU 90 -4.589 9.097 4.844 628 H ARG 91 H ARG 91 -8.539 9.466 8.230 629 HA ARG 91 HA ARG 91 -8.700 12.154 7.951 630 HB2 ARG 91 1HB ARG 91 -10.504 12.060 9.617 631 HB3 ARG 91 2HB ARG 91 -10.574 10.618 8.625 632 HG2 ARG 91 1HG ARG 91 -9.938 9.218 10.355 633 HG3 ARG 91 2HG ARG 91 -8.860 10.403 11.066 634 HD2 ARG 91 1HD ARG 91 -11.151 11.695 11.597 635 HD3 ARG 91 2HD ARG 91 -11.845 10.094 11.433 636 HE ARG 91 HE ARG 91 -9.595 9.784 13.104 637 HH11 ARG 91 2HH2 ARG 91 -12.639 11.548 13.181 638 HH12 ARG 91 1HH2 ARG 91 -12.755 11.526 14.909 639 HH21 ARG 91 2HH1 ARG 91 -9.748 9.755 15.384 640 HH22 ARG 91 1HH1 ARG 91 -11.100 10.500 16.170 641 H ASP 92 H ASP 92 -6.725 10.291 10.139 642 HA ASP 92 HA ASP 92 -6.543 12.308 12.127 643 HB2 ASP 92 1HB ASP 92 -5.985 9.615 12.037 644 HB3 ASP 92 2HB ASP 92 -4.369 10.271 11.860 645 H SER 93 H SER 93 -4.110 10.751 9.887 646 HA SER 93 HA SER 93 -2.046 12.364 10.182 647 HB2 SER 93 1HB SER 93 -3.201 11.101 7.683 648 HB3 SER 93 2HB SER 93 -1.734 12.054 7.578 649 HG SER 93 HG SER 93 -0.983 10.604 9.455 650 H SER 94 H SER 94 -5.058 13.114 8.376 651 HA SER 94 HA SER 94 -4.399 15.245 6.943 652 HB2 SER 94 1HB SER 94 -6.681 14.402 7.040 653 HB3 SER 94 2HB SER 94 -6.841 14.863 8.723 654 HG SER 94 HG SER 94 -6.905 16.486 6.382 655 H ILE 95 H ILE 95 -4.456 15.004 10.481 656 HA ILE 95 HA ILE 95 -4.603 17.687 11.143 657 HB ILE 95 HB ILE 95 -3.405 15.261 12.432 658 HG12 ILE 95 1HG1 ILE 95 -5.557 16.979 13.605 659 HG13 ILE 95 2HG1 ILE 95 -5.959 15.971 12.229 660 HG21 ILE 95 1HG2 ILE 95 -3.193 16.784 14.503 661 HG22 ILE 95 2HG2 ILE 95 -1.908 16.835 13.272 662 HG23 ILE 95 3HG2 ILE 95 -3.135 18.123 13.330 663 HD11 ILE 95 1HD1 ILE 95 -4.612 14.125 13.676 664 HD12 ILE 95 2HD1 ILE 95 -5.162 15.171 15.007 665 HD13 ILE 95 3HD1 ILE 95 -6.350 14.431 13.908 666 H THR 96 H THR 96 -1.565 15.692 10.994 667 HA THR 96 HA THR 96 0.056 18.024 10.875 668 HB THR 96 HB THR 96 0.769 15.859 11.891 669 HG1 THR 96 1HG THR 96 2.829 15.900 10.697 670 HG21 THR 96 1HG2 THR 96 1.068 14.799 9.052 671 HG22 THR 96 2HG2 THR 96 1.188 13.903 10.585 672 HG23 THR 96 3HG2 THR 96 -0.400 14.451 9.996 673 H SER 97 H SER 97 -1.998 16.660 8.586 674 HA SER 97 HA SER 97 -2.285 17.044 6.468 675 HB2 SER 97 1HB SER 97 -0.379 19.195 7.193 676 HB3 SER 97 2HB SER 97 -0.352 18.783 5.490 677 HG SER 97 HG SER 97 -2.915 19.070 6.685 678 H LYS 98 H LYS 98 -0.345 15.000 7.564 679 HA LYS 98 HA LYS 98 0.798 14.279 5.015 680 HB2 LYS 98 1HB LYS 98 2.410 15.608 6.928 681 HB3 LYS 98 2HB LYS 98 2.872 13.919 6.988 682 HG2 LYS 98 1HG LYS 98 3.531 13.869 4.724 683 HG3 LYS 98 2HG LYS 98 2.501 15.215 4.282 684 HD2 LYS 98 1HD LYS 98 4.092 16.553 5.985 685 HD3 LYS 98 2HD LYS 98 5.208 15.254 5.617 686 HE2 LYS 98 1HE LYS 98 5.084 15.743 3.212 687 HE3 LYS 98 2HE LYS 98 3.806 16.915 3.471 688 HZ1 LYS 98 1HZ LYS 98 6.490 17.156 4.640 689 HZ2 LYS 98 2HZ LYS 98 6.029 17.887 3.254 690 HZ3 LYS 98 3HZ LYS 98 5.309 18.284 4.665 691 H VAL 99 H VAL 99 0.662 12.094 4.713 692 HA VAL 99 HA VAL 99 0.190 10.486 7.124 693 HB VAL 99 HB VAL 99 -1.894 11.046 5.843 694 HG11 VAL 99 1HG1 VAL 99 -0.447 10.638 3.597 695 HG12 VAL 99 2HG1 VAL 99 -1.216 9.041 3.757 696 HG13 VAL 99 3HG1 VAL 99 -2.221 10.507 3.662 697 HG21 VAL 99 1HG2 VAL 99 -1.722 8.125 5.525 698 HG22 VAL 99 2HG2 VAL 99 -1.134 8.719 7.096 699 HG23 VAL 99 3HG2 VAL 99 -2.785 9.109 6.559 700 H THR 100 H THR 100 1.101 8.389 7.107 701 HA THR 100 HA THR 100 3.006 7.969 4.899 702 HB THR 100 HB THR 100 3.098 7.142 7.849 703 HG1 THR 100 1HG THR 100 4.380 8.986 7.949 704 HG21 THR 100 1HG2 THR 100 5.497 6.611 7.308 705 HG22 THR 100 2HG2 THR 100 4.374 5.540 6.438 706 HG23 THR 100 3HG2 THR 100 5.150 6.896 5.586 707 H LEU 101 H LEU 101 3.181 5.963 3.908 708 HA LEU 101 HA LEU 101 1.246 3.955 4.783 709 HB2 LEU 101 1HB LEU 101 1.478 5.132 2.017 710 HB3 LEU 101 2HB LEU 101 0.724 3.582 2.333 711 HG LEU 101 HG LEU 101 -0.199 6.105 3.712 712 HD11 LEU 101 1HD1 LEU 101 -0.195 6.160 1.102 713 HD12 LEU 101 2HD1 LEU 101 -1.579 5.052 1.264 714 HD13 LEU 101 3HD1 LEU 101 -1.643 6.669 2.004 715 HD21 LEU 101 1HD2 LEU 101 -1.800 4.851 4.628 716 HD22 LEU 101 2HD2 LEU 101 -2.155 4.023 3.093 717 HD23 LEU 101 3HD2 LEU 101 -0.826 3.447 4.128 718 H GLU 102 H GLU 102 2.388 2.160 5.244 719 HA GLU 102 HA GLU 102 4.990 1.878 4.099 720 HB2 GLU 102 1HB GLU 102 4.207 1.316 6.535 721 HB3 GLU 102 2HB GLU 102 3.602 -0.177 5.846 722 HG2 GLU 102 1HG GLU 102 5.704 -1.049 5.555 723 HG3 GLU 102 2HG GLU 102 6.364 0.470 4.982 724 H ILE 103 H ILE 103 5.374 0.878 2.174 725 HA ILE 103 HA ILE 103 3.410 -1.137 1.327 726 HB ILE 103 HB ILE 103 5.094 0.655 -0.424 727 HG12 ILE 103 1HG1 ILE 103 3.377 1.886 0.928 728 HG13 ILE 103 2HG1 ILE 103 3.182 2.009 -0.809 729 HG21 ILE 103 1HG2 ILE 103 4.659 -1.182 -1.740 730 HG22 ILE 103 2HG2 ILE 103 3.103 -1.524 -0.947 731 HG23 ILE 103 3HG2 ILE 103 3.241 -0.163 -2.085 732 HD11 ILE 103 1HD1 ILE 103 1.595 -0.093 -0.516 733 HD12 ILE 103 2HD1 ILE 103 1.527 0.446 1.179 734 HD13 ILE 103 3HD1 ILE 103 0.990 1.535 -0.123 735 H GLU 104 H GLU 104 4.371 -2.854 -0.145 736 HA GLU 104 HA GLU 104 7.188 -3.254 0.350 737 HB2 GLU 104 1HB GLU 104 6.416 -4.491 2.200 738 HB3 GLU 104 2HB GLU 104 4.971 -5.035 1.372 739 HG2 GLU 104 1HG GLU 104 6.098 -6.725 0.201 740 HG3 GLU 104 2HG GLU 104 7.632 -5.878 0.232 741 H PHE 105 H PHE 105 8.156 -3.870 -1.539 742 HA PHE 105 HA PHE 105 6.438 -5.213 -3.507 743 HB2 PHE 105 1HB PHE 105 8.027 -3.982 -5.151 744 HB3 PHE 105 2HB PHE 105 6.929 -2.944 -4.264 745 HD1 PHE 105 1HD PHE 105 7.844 -1.856 -2.103 746 HD2 PHE 105 2HD PHE 105 10.321 -3.573 -5.090 747 HE1 PHE 105 1HE PHE 105 9.791 -0.517 -1.258 748 HE2 PHE 105 2HE PHE 105 12.268 -2.234 -4.246 749 HZ PHE 105 HZ PHE 105 11.980 -0.722 -2.340 750 H ASP 106 H ASP 106 8.099 -6.122 -5.362 751 HA ASP 106 HA ASP 106 9.898 -7.798 -3.819 752 HB2 ASP 106 1HB ASP 106 9.862 -9.203 -5.978 753 HB3 ASP 106 2HB ASP 106 8.371 -9.142 -5.059 754 H VAL 107 H VAL 107 12.045 -8.350 -4.923 755 HA VAL 107 HA VAL 107 12.896 -6.204 -6.739 756 HB VAL 107 HB VAL 107 14.519 -7.412 -4.493 757 HG11 VAL 107 1HG1 VAL 107 15.250 -4.816 -5.738 758 HG12 VAL 107 2HG1 VAL 107 16.281 -6.152 -5.172 759 HG13 VAL 107 3HG1 VAL 107 15.466 -6.263 -6.751 760 HG21 VAL 107 1HG2 VAL 107 14.232 -4.849 -3.735 761 HG22 VAL 107 2HG2 VAL 107 12.674 -5.075 -4.566 762 HG23 VAL 107 3HG2 VAL 107 13.125 -6.143 -3.215 763 H ALA 108 H ALA 108 14.377 -6.816 -8.378 764 HA ALA 108 HA ALA 108 14.146 -9.538 -9.160 765 HB1 ALA 108 1HB ALA 108 14.662 -8.661 -11.171 766 HB2 ALA 108 2HB ALA 108 14.648 -7.068 -10.377 767 HB3 ALA 108 3HB ALA 108 16.178 -7.960 -10.554 768 H GLU 109 H GLU 109 15.921 -11.054 -9.497 769 HA GLU 109 HA GLU 109 18.100 -10.521 -7.631 770 HB2 GLU 109 1HB GLU 109 16.636 -13.098 -8.304 771 HB3 GLU 109 2HB GLU 109 18.207 -13.114 -7.528 772 HG2 GLU 109 1HG GLU 109 16.193 -11.270 -6.306 773 HG3 GLU 109 2HG GLU 109 15.829 -12.978 -6.164 774 H SER 110 H SER 110 20.128 -11.974 -8.193 775 HA SER 110 HA SER 110 20.731 -11.345 -10.912 776 HB2 SER 110 1HB SER 110 22.332 -10.950 -9.012 777 HB3 SER 110 2HB SER 110 22.453 -12.682 -8.777 778 HG SER 110 HG SER 110 22.980 -12.489 -11.309 779 H VAL 111 H VAL 111 20.045 -12.759 -12.488 780 HA VAL 111 HA VAL 111 20.711 -15.571 -12.101 781 HB VAL 111 HB VAL 111 18.397 -15.337 -11.384 782 HG11 VAL 111 1HG1 VAL 111 16.888 -14.807 -13.632 783 HG12 VAL 111 2HG1 VAL 111 17.214 -13.664 -12.307 784 HG13 VAL 111 3HG1 VAL 111 18.221 -13.637 -13.775 785 HG21 VAL 111 1HG2 VAL 111 18.799 -17.432 -12.345 786 HG22 VAL 111 2HG2 VAL 111 17.352 -16.855 -13.204 787 HG23 VAL 111 3HG2 VAL 111 18.948 -16.761 -13.987 788 H ILE 112 H ILE 112 21.300 -16.627 -14.024 789 HA ILE 112 HA ILE 112 22.277 -14.980 -16.055 790 HB ILE 112 HB ILE 112 22.714 -17.102 -17.228 791 HG12 ILE 112 1HG1 ILE 112 21.537 -18.586 -14.888 792 HG13 ILE 112 2HG1 ILE 112 20.531 -18.151 -16.256 793 HG21 ILE 112 1HG2 ILE 112 24.430 -16.452 -15.792 794 HG22 ILE 112 2HG2 ILE 112 23.465 -16.771 -14.331 795 HG23 ILE 112 3HG2 ILE 112 24.086 -18.128 -15.301 796 HD11 ILE 112 1HD1 ILE 112 22.155 -19.287 -17.796 797 HD12 ILE 112 2HD1 ILE 112 23.112 -19.778 -16.377 798 HD13 ILE 112 3HD1 ILE 112 21.459 -20.401 -16.594 799 HA PRO 113 HA PRO 113 18.869 -14.519 -18.661 800 HB2 PRO 113 1HB PRO 113 20.054 -14.196 -21.102 801 HB3 PRO 113 2HB PRO 113 19.941 -12.913 -19.913 802 HG2 PRO 113 1HG PRO 113 22.293 -14.534 -20.672 803 HG3 PRO 113 2HG PRO 113 22.244 -13.001 -19.825 804 HD2 PRO 113 1HD PRO 113 22.699 -15.586 -18.669 805 HD3 PRO 113 2HD PRO 113 22.535 -14.068 -17.809 806 H SER 114 H SER 114 17.673 -15.292 -20.663 807 HA SER 114 HA SER 114 18.531 -17.821 -21.587 808 HB2 SER 114 1HB SER 114 16.833 -19.226 -20.643 809 HB3 SER 114 2HB SER 114 17.548 -18.358 -19.300 810 HG SER 114 HG SER 114 14.997 -18.490 -19.792 811 H SER 115 H SER 115 17.453 -18.351 -23.542 812 HA SER 115 HA SER 115 16.381 -16.389 -24.998 813 HB2 SER 115 1HB SER 115 16.319 -19.360 -25.102 814 HB3 SER 115 2HB SER 115 15.055 -18.583 -26.035 815 HG SER 115 HG SER 115 17.116 -17.161 -26.713 816 H GLY 116 H GLY 116 14.308 -15.515 -25.431 817 HA2 GLY 116 1HA GLY 116 11.846 -16.458 -24.913 818 HA3 GLY 116 2HA GLY 116 12.352 -15.903 -23.330 819 H SER 117 H SER 117 11.903 -13.804 -22.825 820 HA SER 117 HA SER 117 12.400 -11.717 -24.580 821 HB2 SER 117 1HB SER 117 10.258 -11.022 -25.322 822 HB3 SER 117 2HB SER 117 10.279 -12.748 -25.626 823 HG SER 117 HG SER 117 8.295 -11.992 -24.583 824 H GLY 118 H GLY 118 12.859 -10.032 -23.205 825 HA2 GLY 118 1HA GLY 118 11.692 -10.136 -20.504 826 HA3 GLY 118 2HA GLY 118 13.186 -9.346 -20.969 827 HA PRO 119 HA PRO 119 9.373 -6.604 -21.636 828 HB2 PRO 119 1HB PRO 119 8.126 -6.201 -19.238 829 HB3 PRO 119 2HB PRO 119 7.538 -7.325 -20.447 830 HG2 PRO 119 1HG PRO 119 8.936 -7.900 -17.907 831 HG3 PRO 119 2HG PRO 119 7.980 -8.979 -18.902 832 HD2 PRO 119 1HD PRO 119 10.842 -8.887 -18.730 833 HD3 PRO 119 2HD PRO 119 9.888 -9.886 -19.809 834 H SER 120 H SER 120 11.303 -5.377 -22.059 835 HA SER 120 HA SER 120 12.506 -4.100 -19.864 836 HB2 SER 120 1HB SER 120 13.619 -2.711 -21.682 837 HB3 SER 120 2HB SER 120 13.831 -4.444 -21.836 838 HG SER 120 HG SER 120 13.234 -3.327 -23.857 839 H SER 121 H SER 121 12.064 -2.101 -18.921 840 HA SER 121 HA SER 121 10.437 -0.232 -20.330 841 HB2 SER 121 1HB SER 121 8.741 -0.091 -18.438 842 HB3 SER 121 2HB SER 121 8.619 -1.523 -19.441 843 HG SER 121 HG SER 121 9.008 -2.742 -17.730 844 H GLY 122 H GLY 122 11.439 1.701 -19.921 845 HA2 GLY 122 1HA GLY 122 11.802 2.915 -17.525 846 HA3 GLY 122 2HA GLY 122 13.251 1.944 -17.692 Start of MODEL 3 1 H1 GLY 1 H GLY 1 12.765 -35.902 -12.567 2 HA2 GLY 1 1HA GLY 1 11.932 -37.316 -10.928 3 HA3 GLY 1 2HA GLY 1 13.452 -38.187 -10.876 4 H SER 2 H SER 2 15.394 -37.021 -9.939 5 HA SER 2 HA SER 2 16.335 -36.041 -8.246 6 HB2 SER 2 1HB SER 2 14.431 -33.941 -9.235 7 HB3 SER 2 2HB SER 2 15.209 -33.639 -7.694 8 HG SER 2 HG SER 2 17.288 -34.192 -8.883 9 H SER 3 H SER 3 16.003 -37.250 -6.388 10 HA SER 3 HA SER 3 14.085 -36.268 -4.556 11 HB2 SER 3 1HB SER 3 12.868 -38.421 -4.237 12 HB3 SER 3 2HB SER 3 12.576 -37.719 -5.816 13 HG SER 3 HG SER 3 14.712 -39.264 -6.168 14 H GLY 4 H GLY 4 15.822 -35.971 -3.113 15 HA2 GLY 4 1HA GLY 4 16.670 -38.202 -1.607 16 HA3 GLY 4 2HA GLY 4 17.940 -37.744 -2.725 17 H SER 5 H SER 5 18.334 -37.538 0.054 18 HA SER 5 HA SER 5 17.651 -35.282 1.314 19 HB2 SER 5 1HB SER 5 19.018 -37.014 2.358 20 HB3 SER 5 2HB SER 5 20.355 -36.686 1.273 21 HG SER 5 HG SER 5 20.309 -34.430 2.229 22 H SER 6 H SER 6 17.850 -33.112 0.891 23 HA SER 6 HA SER 6 20.232 -32.225 -0.462 24 HB2 SER 6 1HB SER 6 18.582 -32.665 -2.286 25 HB3 SER 6 2HB SER 6 17.438 -31.588 -1.510 26 HG SER 6 HG SER 6 18.611 -29.822 -2.088 27 H GLY 7 H GLY 7 20.993 -30.524 0.737 28 HA2 GLY 7 1HA GLY 7 19.114 -29.120 2.495 29 HA3 GLY 7 2HA GLY 7 20.862 -29.140 2.608 30 H ALA 8 H ALA 8 18.042 -27.656 1.070 31 HA ALA 8 HA ALA 8 19.684 -25.393 0.345 32 HB1 ALA 8 1HB ALA 8 19.904 -26.068 -1.801 33 HB2 ALA 8 2HB ALA 8 18.703 -27.367 -1.603 34 HB3 ALA 8 3HB ALA 8 18.168 -25.707 -1.961 35 H GLY 9 H GLY 9 18.046 -23.673 -0.731 36 HA2 GLY 9 1HA GLY 9 15.309 -23.862 -0.043 37 HA3 GLY 9 2HA GLY 9 16.178 -23.025 1.228 38 H GLN 10 H GLN 10 14.851 -22.820 -1.990 39 HA GLN 10 HA GLN 10 16.257 -20.351 -2.510 40 HB2 GLN 10 1HB GLN 10 14.177 -21.750 -4.244 41 HB3 GLN 10 2HB GLN 10 15.279 -20.482 -4.744 42 HG2 GLN 10 1HG GLN 10 16.535 -22.924 -3.534 43 HG3 GLN 10 2HG GLN 10 15.792 -23.137 -5.107 44 HE21 GLN 10 1HE2 GLN 10 18.381 -21.787 -3.304 45 HE22 GLN 10 2HE2 GLN 10 19.304 -21.116 -4.607 46 H VAL 11 H VAL 11 15.361 -18.333 -2.222 47 HA VAL 11 HA VAL 11 12.510 -18.015 -2.193 48 HB VAL 11 HB VAL 11 12.957 -18.864 0.070 49 HG11 VAL 11 1HG1 VAL 11 14.192 -17.349 1.668 50 HG12 VAL 11 2HG1 VAL 11 15.213 -18.176 0.467 51 HG13 VAL 11 3HG1 VAL 11 14.796 -16.460 0.249 52 HG21 VAL 11 1HG2 VAL 11 11.679 -17.231 1.242 53 HG22 VAL 11 2HG2 VAL 11 12.261 -15.917 0.191 54 HG23 VAL 11 3HG2 VAL 11 11.160 -17.155 -0.459 55 H VAL 12 H VAL 12 11.990 -15.597 -1.753 56 HA VAL 12 HA VAL 12 14.234 -13.996 -2.775 57 HB VAL 12 HB VAL 12 12.413 -14.510 -4.418 58 HG11 VAL 12 1HG1 VAL 12 10.352 -12.919 -4.043 59 HG12 VAL 12 2HG1 VAL 12 10.390 -14.535 -3.298 60 HG13 VAL 12 3HG1 VAL 12 10.785 -13.098 -2.325 61 HG21 VAL 12 1HG2 VAL 12 12.819 -12.546 -5.456 62 HG22 VAL 12 2HG2 VAL 12 12.220 -11.578 -4.088 63 HG23 VAL 12 3HG2 VAL 12 13.875 -12.234 -4.058 64 H HIS 13 H HIS 13 14.007 -11.612 -2.213 65 HA HIS 13 HA HIS 13 12.974 -11.451 0.517 66 HB2 HIS 13 1HB HIS 13 14.579 -9.657 0.858 67 HB3 HIS 13 2HB HIS 13 15.377 -11.118 0.309 68 HD1 HIS 13 1HD HIS 13 16.085 -11.143 -2.321 69 HD2 HIS 13 2HD HIS 13 15.050 -7.420 -0.691 70 HE1 HIS 13 1HE HIS 13 16.994 -9.382 -3.928 71 H THR 14 H THR 14 12.196 -9.157 1.145 72 HA THR 14 HA THR 14 10.859 -7.875 -1.134 73 HB THR 14 HB THR 14 8.902 -7.686 0.684 74 HG1 THR 14 1HG THR 14 9.131 -9.313 2.244 75 HG21 THR 14 1HG2 THR 14 7.935 -9.840 -0.090 76 HG22 THR 14 2HG2 THR 14 8.683 -8.987 -1.462 77 HG23 THR 14 3HG2 THR 14 9.530 -10.351 -0.694 78 H GLU 15 H GLU 15 10.723 -5.661 -1.066 79 HA GLU 15 HA GLU 15 12.063 -4.497 1.249 80 HB2 GLU 15 1HB GLU 15 12.166 -3.884 -1.696 81 HB3 GLU 15 2HB GLU 15 12.360 -2.548 -0.579 82 HG2 GLU 15 1HG GLU 15 14.129 -4.031 0.627 83 HG3 GLU 15 2HG GLU 15 14.071 -5.058 -0.793 84 H THR 16 H THR 16 11.320 -2.274 1.886 85 HA THR 16 HA THR 16 8.464 -1.922 1.244 86 HB THR 16 HB THR 16 8.653 -0.802 3.681 87 HG1 THR 16 1HG THR 16 10.668 -2.927 3.599 88 HG21 THR 16 1HG2 THR 16 8.654 -3.810 3.113 89 HG22 THR 16 2HG2 THR 16 8.346 -3.123 4.726 90 HG23 THR 16 3HG2 THR 16 7.235 -2.770 3.381 91 H THR 17 H THR 17 7.652 0.215 1.045 92 HA THR 17 HA THR 17 9.771 2.225 0.663 93 HB THR 17 HB THR 17 8.993 1.345 -1.526 94 HG1 THR 17 1HG THR 17 9.334 3.712 -1.063 95 HG21 THR 17 1HG2 THR 17 6.760 0.541 -1.198 96 HG22 THR 17 2HG2 THR 17 6.266 2.023 -0.344 97 HG23 THR 17 3HG2 THR 17 6.535 2.057 -2.104 98 H GLU 18 H GLU 18 9.154 4.442 1.015 99 HA GLU 18 HA GLU 18 6.870 4.567 2.825 100 HB2 GLU 18 1HB GLU 18 9.624 5.687 2.948 101 HB3 GLU 18 2HB GLU 18 8.362 6.806 3.423 102 HG2 GLU 18 1HG GLU 18 7.750 5.559 5.287 103 HG3 GLU 18 2HG GLU 18 8.146 4.028 4.533 104 H VAL 19 H VAL 19 5.131 5.629 1.990 105 HA VAL 19 HA VAL 19 5.675 7.634 -0.083 106 HB VAL 19 HB VAL 19 3.063 6.236 0.477 107 HG11 VAL 19 1HG1 VAL 19 4.143 8.026 -1.666 108 HG12 VAL 19 2HG1 VAL 19 2.976 6.764 -2.126 109 HG13 VAL 19 3HG1 VAL 19 2.531 7.986 -0.910 110 HG21 VAL 19 1HG2 VAL 19 5.484 5.077 -0.578 111 HG22 VAL 19 2HG2 VAL 19 3.897 4.320 -0.301 112 HG23 VAL 19 3HG2 VAL 19 4.238 5.133 -1.848 113 H VAL 20 H VAL 20 5.596 9.701 0.615 114 HA VAL 20 HA VAL 20 3.948 10.248 2.973 115 HB VAL 20 HB VAL 20 6.444 10.735 2.885 116 HG11 VAL 20 1HG1 VAL 20 6.041 11.810 0.482 117 HG12 VAL 20 2HG1 VAL 20 5.790 13.279 1.456 118 HG13 VAL 20 3HG1 VAL 20 7.327 12.389 1.567 119 HG21 VAL 20 1HG2 VAL 20 4.498 11.840 4.332 120 HG22 VAL 20 2HG2 VAL 20 6.183 12.406 4.429 121 HG23 VAL 20 3HG2 VAL 20 5.002 13.295 3.438 122 H LEU 21 H LEU 21 1.988 11.152 2.653 123 HA LEU 21 HA LEU 21 1.652 12.711 0.184 124 HB2 LEU 21 1HB LEU 21 -0.420 11.083 1.662 125 HB3 LEU 21 2HB LEU 21 -0.684 12.022 0.206 126 HG LEU 21 HG LEU 21 1.201 9.657 0.385 127 HD11 LEU 21 1HD1 LEU 21 -1.678 9.728 0.223 128 HD12 LEU 21 2HD1 LEU 21 -0.989 9.016 -1.255 129 HD13 LEU 21 3HD1 LEU 21 -0.578 8.333 0.336 130 HD21 LEU 21 1HD2 LEU 21 0.474 11.577 -1.765 131 HD22 LEU 21 2HD2 LEU 21 1.999 10.714 -1.455 132 HD23 LEU 21 3HD2 LEU 21 0.636 9.865 -2.223 133 H THR 22 H THR 22 0.648 14.734 0.326 134 HA THR 22 HA THR 22 0.322 15.699 3.088 135 HB THR 22 HB THR 22 0.807 17.389 0.598 136 HG1 THR 22 1HG THR 22 3.044 16.941 0.992 137 HG21 THR 22 1HG2 THR 22 1.953 18.857 2.242 138 HG22 THR 22 2HG2 THR 22 0.278 18.559 2.767 139 HG23 THR 22 3HG2 THR 22 1.622 17.683 3.538 140 H ALA 23 H ALA 23 -1.742 15.678 3.728 141 HA ALA 23 HA ALA 23 -3.949 15.400 2.214 142 HB1 ALA 23 1HB ALA 23 -3.894 15.336 4.672 143 HB2 ALA 23 2HB ALA 23 -3.625 17.095 4.724 144 HB3 ALA 23 3HB ALA 23 -5.162 16.448 4.104 145 H ASP 24 H ASP 24 -4.169 16.465 0.262 146 HA ASP 24 HA ASP 24 -3.402 19.049 -0.200 147 HB2 ASP 24 1HB ASP 24 -4.706 16.957 -1.604 148 HB3 ASP 24 2HB ASP 24 -5.811 18.314 -1.708 149 HA PRO 25 HA PRO 25 -6.727 21.424 1.394 150 HB2 PRO 25 1HB PRO 25 -7.038 23.450 -0.413 151 HB3 PRO 25 2HB PRO 25 -5.760 23.423 0.785 152 HG2 PRO 25 1HG PRO 25 -5.590 22.891 -2.118 153 HG3 PRO 25 2HG PRO 25 -4.302 23.285 -0.997 154 HD2 PRO 25 1HD PRO 25 -4.913 20.695 -2.069 155 HD3 PRO 25 2HD PRO 25 -3.701 21.070 -0.860 156 H VAL 26 H VAL 26 -7.195 19.444 -1.100 157 HA VAL 26 HA VAL 26 -10.070 19.892 -0.926 158 HB VAL 26 HB VAL 26 -10.164 19.456 -3.428 159 HG11 VAL 26 1HG1 VAL 26 -10.764 21.610 -2.551 160 HG12 VAL 26 2HG1 VAL 26 -9.055 22.060 -2.336 161 HG13 VAL 26 3HG1 VAL 26 -9.727 21.871 -3.974 162 HG21 VAL 26 1HG2 VAL 26 -7.236 19.717 -3.036 163 HG22 VAL 26 2HG2 VAL 26 -8.158 18.851 -4.288 164 HG23 VAL 26 3HG2 VAL 26 -7.917 20.610 -4.417 165 H THR 27 H THR 27 -7.551 17.832 -2.558 166 HA THR 27 HA THR 27 -9.104 15.494 -1.680 167 HB THR 27 HB THR 27 -7.788 14.375 -3.552 168 HG1 THR 27 1HG THR 27 -7.176 17.115 -4.295 169 HG21 THR 27 1HG2 THR 27 -9.615 16.734 -4.001 170 HG22 THR 27 2HG2 THR 27 -8.714 16.117 -5.407 171 HG23 THR 27 3HG2 THR 27 -9.815 15.041 -4.514 172 H GLY 28 H GLY 28 -8.161 16.030 0.530 173 HA2 GLY 28 1HA GLY 28 -5.783 16.113 1.514 174 HA3 GLY 28 2HA GLY 28 -6.876 14.862 2.072 175 H PHE 29 H PHE 29 -6.691 12.671 1.228 176 HA PHE 29 HA PHE 29 -4.069 12.207 -0.009 177 HB2 PHE 29 1HB PHE 29 -5.788 10.312 1.688 178 HB3 PHE 29 2HB PHE 29 -4.093 10.108 1.293 179 HD1 PHE 29 1HD PHE 29 -2.678 12.368 2.031 180 HD2 PHE 29 2HD PHE 29 -6.181 10.850 3.884 181 HE1 PHE 29 1HE PHE 29 -2.040 13.511 4.173 182 HE2 PHE 29 2HE PHE 29 -5.543 11.993 6.026 183 HZ PHE 29 HZ PHE 29 -3.481 13.309 6.145 184 H GLY 30 H GLY 30 -7.564 11.542 -0.039 185 HA2 GLY 30 1HA GLY 30 -8.877 10.413 -1.477 186 HA3 GLY 30 2HA GLY 30 -7.761 10.970 -2.707 187 H ILE 31 H ILE 31 -7.964 8.442 -0.097 188 HA ILE 31 HA ILE 31 -6.984 6.522 -2.074 189 HB ILE 31 HB ILE 31 -5.956 6.693 0.759 190 HG12 ILE 31 1HG1 ILE 31 -4.678 7.621 -1.829 191 HG13 ILE 31 2HG1 ILE 31 -5.146 8.620 -0.467 192 HG21 ILE 31 1HG2 ILE 31 -6.106 4.466 -0.660 193 HG22 ILE 31 2HG2 ILE 31 -4.640 5.128 -1.421 194 HG23 ILE 31 3HG2 ILE 31 -4.680 4.844 0.336 195 HD11 ILE 31 1HD1 ILE 31 -2.645 7.384 -0.861 196 HD12 ILE 31 2HD1 ILE 31 -3.213 8.170 0.631 197 HD13 ILE 31 3HD1 ILE 31 -3.428 6.417 0.412 198 H GLN 32 H GLN 32 -7.884 4.447 -1.893 199 HA GLN 32 HA GLN 32 -9.858 4.201 0.238 200 HB2 GLN 32 1HB GLN 32 -10.190 3.904 -2.729 201 HB3 GLN 32 2HB GLN 32 -11.048 2.755 -1.722 202 HG2 GLN 32 1HG GLN 32 -12.343 4.884 -2.282 203 HG3 GLN 32 2HG GLN 32 -12.259 4.492 -0.576 204 HE21 GLN 32 1HE2 GLN 32 -12.021 6.216 0.608 205 HE22 GLN 32 2HE2 GLN 32 -11.020 7.591 0.283 206 H LEU 33 H LEU 33 -10.083 2.113 1.163 207 HA LEU 33 HA LEU 33 -8.047 0.204 0.248 208 HB2 LEU 33 1HB LEU 33 -9.208 0.428 3.021 209 HB3 LEU 33 2HB LEU 33 -7.854 -0.555 2.502 210 HG LEU 33 HG LEU 33 -7.756 2.449 2.275 211 HD11 LEU 33 1HD1 LEU 33 -6.591 2.453 4.492 212 HD12 LEU 33 2HD1 LEU 33 -8.337 2.114 4.567 213 HD13 LEU 33 3HD1 LEU 33 -7.165 0.785 4.733 214 HD21 LEU 33 1HD2 LEU 33 -5.539 2.211 1.869 215 HD22 LEU 33 2HD2 LEU 33 -5.381 0.780 2.916 216 HD23 LEU 33 3HD2 LEU 33 -6.072 0.616 1.284 217 H GLN 34 H GLN 34 -8.633 -2.134 0.602 218 HA GLN 34 HA GLN 34 -11.492 -2.432 0.106 219 HB2 GLN 34 1HB GLN 34 -10.933 -4.421 -1.228 220 HB3 GLN 34 2HB GLN 34 -10.067 -3.023 -1.833 221 HG2 GLN 34 1HG GLN 34 -8.124 -4.158 -1.578 222 HG3 GLN 34 2HG GLN 34 -8.372 -4.141 0.157 223 HE21 GLN 34 1HE2 GLN 34 -7.679 -6.108 0.698 224 HE22 GLN 34 2HE2 GLN 34 -8.360 -7.607 0.160 225 H GLY 35 H GLY 35 -12.346 -4.708 0.758 226 HA2 GLY 35 1HA GLY 35 -10.915 -6.007 2.910 227 HA3 GLY 35 2HA GLY 35 -12.314 -5.086 3.426 228 H SER 36 H SER 36 -13.241 -7.192 4.105 229 HA SER 36 HA SER 36 -14.692 -8.327 1.892 230 HB2 SER 36 1HB SER 36 -12.512 -9.707 3.275 231 HB3 SER 36 2HB SER 36 -14.019 -10.581 3.464 232 HG SER 36 HG SER 36 -13.233 -11.348 1.545 233 H VAL 37 H VAL 37 -16.148 -10.290 3.115 234 HA VAL 37 HA VAL 37 -17.335 -8.876 5.399 235 HB VAL 37 HB VAL 37 -19.393 -10.186 4.718 236 HG11 VAL 37 1HG1 VAL 37 -18.531 -8.301 2.527 237 HG12 VAL 37 2HG1 VAL 37 -20.125 -8.483 3.298 238 HG13 VAL 37 3HG1 VAL 37 -18.788 -7.717 4.189 239 HG21 VAL 37 1HG2 VAL 37 -19.528 -11.353 2.748 240 HG22 VAL 37 2HG2 VAL 37 -18.238 -10.407 1.967 241 HG23 VAL 37 3HG2 VAL 37 -17.824 -11.664 3.157 242 H PHE 38 H PHE 38 -16.127 -11.968 4.079 243 HA PHE 38 HA PHE 38 -16.409 -13.078 6.783 244 HB2 PHE 38 1HB PHE 38 -16.971 -15.160 5.737 245 HB3 PHE 38 2HB PHE 38 -17.768 -14.001 4.692 246 HD1 PHE 38 2HD PHE 38 -14.544 -15.842 5.036 247 HD2 PHE 38 1HD PHE 38 -17.363 -14.064 2.409 248 HE1 PHE 38 2HE PHE 38 -13.281 -16.750 3.066 249 HE2 PHE 38 1HE PHE 38 -16.100 -14.972 0.439 250 HZ PHE 38 HZ PHE 38 -14.074 -16.304 0.792 251 H ALA 39 H ALA 39 -14.682 -14.508 7.505 252 HA ALA 39 HA ALA 39 -12.470 -15.247 6.122 253 HB1 ALA 39 1HB ALA 39 -10.917 -13.300 7.115 254 HB2 ALA 39 2HB ALA 39 -11.670 -13.175 5.507 255 HB3 ALA 39 3HB ALA 39 -12.409 -12.354 6.903 256 H THR 40 H THR 40 -10.395 -15.106 7.887 257 HA THR 40 HA THR 40 -11.440 -16.605 10.101 258 HB THR 40 HB THR 40 -8.660 -15.757 9.149 259 HG1 THR 40 1HG THR 40 -8.724 -18.119 8.713 260 HG21 THR 40 1HG2 THR 40 -7.945 -17.658 10.753 261 HG22 THR 40 2HG2 THR 40 -8.368 -16.113 11.528 262 HG23 THR 40 3HG2 THR 40 -9.532 -17.459 11.533 263 H GLU 41 H GLU 41 -8.999 -13.947 10.229 264 HA GLU 41 HA GLU 41 -10.441 -13.037 12.591 265 HB2 GLU 41 1HB GLU 41 -8.026 -13.824 12.822 266 HB3 GLU 41 2HB GLU 41 -7.545 -12.456 11.838 267 HG2 GLU 41 1HG GLU 41 -7.480 -11.221 13.740 268 HG3 GLU 41 2HG GLU 41 -9.230 -11.310 13.779 269 H THR 42 H THR 42 -8.376 -11.740 9.883 270 HA THR 42 HA THR 42 -10.201 -9.429 9.796 271 HB THR 42 HB THR 42 -8.011 -8.843 10.842 272 HG1 THR 42 1HG THR 42 -7.651 -7.146 9.256 273 HG21 THR 42 1HG2 THR 42 -6.478 -9.052 8.335 274 HG22 THR 42 2HG2 THR 42 -5.996 -9.517 9.984 275 HG23 THR 42 3HG2 THR 42 -6.917 -10.656 8.972 276 H LEU 43 H LEU 43 -8.156 -8.679 7.480 277 HA LEU 43 HA LEU 43 -9.821 -9.933 5.470 278 HB2 LEU 43 1HB LEU 43 -7.617 -7.957 4.968 279 HB3 LEU 43 2HB LEU 43 -9.043 -8.288 4.004 280 HG LEU 43 HG LEU 43 -9.117 -7.004 6.747 281 HD11 LEU 43 1HD1 LEU 43 -7.889 -5.572 5.203 282 HD12 LEU 43 2HD1 LEU 43 -9.217 -5.681 4.022 283 HD13 LEU 43 3HD1 LEU 43 -9.481 -4.875 5.588 284 HD21 LEU 43 1HD2 LEU 43 -11.398 -6.487 6.296 285 HD22 LEU 43 2HD2 LEU 43 -11.266 -7.065 4.617 286 HD23 LEU 43 3HD2 LEU 43 -11.171 -8.222 5.967 287 H SER 44 H SER 44 -7.497 -11.205 7.206 288 HA SER 44 HA SER 44 -5.721 -12.468 6.895 289 HB2 SER 44 1HB SER 44 -8.004 -13.557 5.652 290 HB3 SER 44 2HB SER 44 -6.715 -13.847 4.501 291 HG SER 44 HG SER 44 -5.944 -15.379 5.774 292 H SER 45 H SER 45 -5.328 -9.935 5.623 293 HA SER 45 HA SER 45 -3.128 -10.420 4.121 294 HB2 SER 45 1HB SER 45 -3.785 -10.876 2.012 295 HB3 SER 45 2HB SER 45 -5.452 -10.912 2.552 296 HG SER 45 HG SER 45 -5.734 -8.762 1.987 297 HA PRO 46 HA PRO 46 -2.974 -6.079 4.468 298 HB2 PRO 46 1HB PRO 46 -1.508 -5.219 2.328 299 HB3 PRO 46 2HB PRO 46 -0.790 -5.947 3.750 300 HG2 PRO 46 1HG PRO 46 -1.202 -7.127 1.071 301 HG3 PRO 46 2HG PRO 46 -0.131 -7.659 2.352 302 HD2 PRO 46 1HD PRO 46 -2.643 -8.832 1.618 303 HD3 PRO 46 2HD PRO 46 -1.628 -9.291 2.970 304 HA PRO 47 HA PRO 47 -6.159 -4.194 2.387 305 HB2 PRO 47 1HB PRO 47 -5.948 -1.630 3.311 306 HB3 PRO 47 2HB PRO 47 -6.730 -2.913 4.213 307 HG2 PRO 47 1HG PRO 47 -4.078 -1.685 4.658 308 HG3 PRO 47 2HG PRO 47 -5.045 -2.641 5.764 309 HD2 PRO 47 1HD PRO 47 -2.739 -3.520 4.302 310 HD3 PRO 47 2HD PRO 47 -3.775 -4.504 5.318 311 H LEU 48 H LEU 48 -5.623 -4.485 0.237 312 HA LEU 48 HA LEU 48 -3.683 -2.734 -0.900 313 HB2 LEU 48 1HB LEU 48 -5.689 -4.424 -2.378 314 HB3 LEU 48 2HB LEU 48 -4.126 -3.859 -2.932 315 HG LEU 48 HG LEU 48 -4.132 -5.608 -0.521 316 HD11 LEU 48 1HD1 LEU 48 -4.967 -6.545 -3.261 317 HD12 LEU 48 2HD1 LEU 48 -4.144 -7.626 -2.112 318 HD13 LEU 48 3HD1 LEU 48 -5.705 -6.890 -1.678 319 HD21 LEU 48 1HD2 LEU 48 -2.203 -6.591 -2.032 320 HD22 LEU 48 2HD2 LEU 48 -2.353 -5.018 -2.851 321 HD23 LEU 48 3HD2 LEU 48 -1.984 -5.084 -1.111 322 H ILE 49 H ILE 49 -3.952 -0.760 -1.842 323 HA ILE 49 HA ILE 49 -6.178 0.752 -1.324 324 HB ILE 49 HB ILE 49 -3.914 0.964 -3.272 325 HG12 ILE 49 1HG1 ILE 49 -4.734 2.680 -0.911 326 HG13 ILE 49 2HG1 ILE 49 -3.591 1.355 -0.825 327 HG21 ILE 49 1HG2 ILE 49 -5.135 2.255 -4.622 328 HG22 ILE 49 2HG2 ILE 49 -6.472 2.376 -3.453 329 HG23 ILE 49 3HG2 ILE 49 -5.070 3.464 -3.318 330 HD11 ILE 49 1HD1 ILE 49 -1.918 2.609 -1.715 331 HD12 ILE 49 2HD1 ILE 49 -2.958 3.188 -3.038 332 HD13 ILE 49 3HD1 ILE 49 -2.983 4.013 -1.461 333 H SER 50 H SER 50 -8.245 0.431 -1.935 334 HA SER 50 HA SER 50 -8.871 -1.202 -4.113 335 HB2 SER 50 1HB SER 50 -10.500 -1.155 -2.418 336 HB3 SER 50 2HB SER 50 -10.422 0.587 -2.241 337 HG SER 50 HG SER 50 -12.381 -0.120 -3.322 338 H TYR 51 H TYR 51 -9.144 2.382 -3.556 339 HA TYR 51 HA TYR 51 -8.851 2.751 -6.438 340 HB2 TYR 51 1HB TYR 51 -11.309 2.741 -5.777 341 HB3 TYR 51 2HB TYR 51 -10.976 3.946 -4.550 342 HD1 TYR 51 1HD TYR 51 -10.828 3.396 -8.245 343 HD2 TYR 51 2HD TYR 51 -11.133 6.235 -5.059 344 HE1 TYR 51 1HE TYR 51 -11.283 5.246 -9.928 345 HE2 TYR 51 2HE TYR 51 -11.587 8.076 -6.753 346 HH TYR 51 HH TYR 51 -10.834 8.047 -9.688 347 H ILE 52 H ILE 52 -8.230 4.996 -7.012 348 HA ILE 52 HA ILE 52 -7.095 6.431 -4.720 349 HB ILE 52 HB ILE 52 -5.743 5.841 -7.355 350 HG12 ILE 52 1HG1 ILE 52 -4.904 5.030 -4.560 351 HG13 ILE 52 2HG1 ILE 52 -5.828 3.993 -5.629 352 HG21 ILE 52 1HG2 ILE 52 -4.065 7.314 -6.853 353 HG22 ILE 52 2HG2 ILE 52 -5.461 8.181 -6.167 354 HG23 ILE 52 3HG2 ILE 52 -4.377 7.255 -5.101 355 HD11 ILE 52 1HD1 ILE 52 -2.970 4.552 -5.640 356 HD12 ILE 52 2HD1 ILE 52 -3.874 3.319 -6.552 357 HD13 ILE 52 3HD1 ILE 52 -3.685 4.959 -7.219 358 H GLU 53 H GLU 53 -8.187 8.312 -4.558 359 HA GLU 53 HA GLU 53 -9.835 9.323 -6.452 360 HB2 GLU 53 1HB GLU 53 -9.069 10.019 -3.881 361 HB3 GLU 53 2HB GLU 53 -8.487 11.390 -4.804 362 HG2 GLU 53 1HG GLU 53 -11.096 10.771 -5.821 363 HG3 GLU 53 2HG GLU 53 -11.218 10.721 -4.074 364 H ALA 54 H ALA 54 -9.690 11.172 -7.931 365 HA ALA 54 HA ALA 54 -7.118 11.224 -9.249 366 HB1 ALA 54 1HB ALA 54 -9.945 12.020 -9.866 367 HB2 ALA 54 2HB ALA 54 -8.632 12.824 -10.758 368 HB3 ALA 54 3HB ALA 54 -8.799 11.053 -10.824 369 H ASP 55 H ASP 55 -6.236 13.403 -9.995 370 HA ASP 55 HA ASP 55 -5.259 15.257 -9.420 371 HB2 ASP 55 1HB ASP 55 -7.951 15.792 -9.583 372 HB3 ASP 55 2HB ASP 55 -7.626 16.356 -7.956 373 H SER 56 H SER 56 -5.471 12.987 -7.363 374 HA SER 56 HA SER 56 -5.321 14.544 -4.917 375 HB2 SER 56 1HB SER 56 -5.923 12.628 -3.751 376 HB3 SER 56 2HB SER 56 -6.734 12.328 -5.275 377 HG SER 56 HG SER 56 -5.406 10.682 -5.707 378 HA PRO 57 HA PRO 57 -1.034 13.858 -4.608 379 HB2 PRO 57 1HB PRO 57 -0.596 13.493 -1.936 380 HB3 PRO 57 2HB PRO 57 -0.855 15.069 -2.657 381 HG2 PRO 57 1HG PRO 57 -2.718 13.445 -1.035 382 HG3 PRO 57 2HG PRO 57 -2.786 15.158 -1.399 383 HD2 PRO 57 1HD PRO 57 -4.372 13.085 -2.590 384 HD3 PRO 57 2HD PRO 57 -4.357 14.780 -3.035 385 H ALA 58 H ALA 58 -3.122 11.365 -3.692 386 HA ALA 58 HA ALA 58 -1.046 9.458 -3.204 387 HB1 ALA 58 1HB ALA 58 -4.054 9.326 -3.588 388 HB2 ALA 58 2HB ALA 58 -3.055 7.872 -3.348 389 HB3 ALA 58 3HB ALA 58 -3.124 9.124 -2.084 390 H GLU 59 H GLU 59 -2.833 10.735 -5.980 391 HA GLU 59 HA GLU 59 -1.834 8.560 -7.610 392 HB2 GLU 59 1HB GLU 59 -4.254 9.370 -7.747 393 HB3 GLU 59 2HB GLU 59 -3.650 10.860 -8.445 394 HG2 GLU 59 1HG GLU 59 -4.209 9.494 -10.322 395 HG3 GLU 59 2HG GLU 59 -2.462 9.408 -10.214 396 H ARG 60 H ARG 60 -1.334 11.967 -6.834 397 HA ARG 60 HA ARG 60 -0.131 12.843 -9.103 398 HB2 ARG 60 1HB ARG 60 0.134 13.496 -6.170 399 HB3 ARG 60 2HB ARG 60 1.333 14.180 -7.250 400 HG2 ARG 60 1HG ARG 60 -1.144 14.587 -8.571 401 HG3 ARG 60 2HG ARG 60 -1.476 14.937 -6.887 402 HD2 ARG 60 1HD ARG 60 0.205 16.649 -6.787 403 HD3 ARG 60 2HD ARG 60 0.982 16.095 -8.257 404 HE ARG 60 HE ARG 60 -1.629 16.755 -9.034 405 HH11 ARG 60 2HH2 ARG 60 1.068 18.446 -7.533 406 HH12 ARG 60 1HH2 ARG 60 0.628 19.990 -8.183 407 HH21 ARG 60 2HH1 ARG 60 -2.210 18.792 -9.892 408 HH22 ARG 60 1HH1 ARG 60 -1.249 20.188 -9.534 409 H CYS 61 H CYS 61 1.400 11.260 -6.205 410 HA CYS 61 HA CYS 61 3.988 11.278 -7.197 411 HB2 CYS 61 1HB CYS 61 2.777 9.245 -5.296 412 HB3 CYS 61 2HB CYS 61 4.479 9.618 -5.484 413 HG CYS 61 HG CYS 61 2.793 10.678 -3.362 414 H GLY 62 H GLY 62 1.274 8.902 -7.452 415 HA2 GLY 62 1HA GLY 62 0.862 7.487 -9.209 416 HA3 GLY 62 2HA GLY 62 2.442 7.829 -9.883 417 H VAL 63 H VAL 63 3.583 7.364 -6.987 418 HA VAL 63 HA VAL 63 4.459 4.767 -7.416 419 HB VAL 63 HB VAL 63 5.332 4.919 -5.152 420 HG11 VAL 63 1HG1 VAL 63 6.046 7.603 -5.640 421 HG12 VAL 63 2HG1 VAL 63 6.925 6.136 -6.133 422 HG13 VAL 63 3HG1 VAL 63 5.744 6.879 -7.238 423 HG21 VAL 63 1HG2 VAL 63 3.477 7.302 -4.918 424 HG22 VAL 63 2HG2 VAL 63 3.533 5.843 -3.901 425 HG23 VAL 63 3HG2 VAL 63 4.855 7.032 -3.824 426 H LEU 64 H LEU 64 1.655 6.075 -5.600 427 HA LEU 64 HA LEU 64 0.999 3.505 -4.518 428 HB2 LEU 64 1HB LEU 64 -0.678 6.012 -4.625 429 HB3 LEU 64 2HB LEU 64 -0.913 4.622 -3.584 430 HG LEU 64 HG LEU 64 1.499 6.453 -3.475 431 HD11 LEU 64 1HD1 LEU 64 -1.179 6.825 -2.468 432 HD12 LEU 64 2HD1 LEU 64 -0.016 6.715 -1.125 433 HD13 LEU 64 3HD1 LEU 64 0.221 7.922 -2.411 434 HD21 LEU 64 1HD2 LEU 64 2.376 4.682 -2.410 435 HD22 LEU 64 2HD2 LEU 64 1.354 5.216 -1.054 436 HD23 LEU 64 3HD2 LEU 64 0.788 3.923 -2.139 437 H GLN 65 H GLN 65 0.588 1.965 -6.070 438 HA GLN 65 HA GLN 65 -1.131 2.736 -8.257 439 HB2 GLN 65 1HB GLN 65 0.944 1.424 -8.704 440 HB3 GLN 65 2HB GLN 65 0.335 0.117 -7.709 441 HG2 GLN 65 1HG GLN 65 -0.281 -0.582 -9.872 442 HG3 GLN 65 2HG GLN 65 -1.758 0.161 -9.291 443 HE21 GLN 65 1HE2 GLN 65 -1.782 0.019 -11.820 444 HE22 GLN 65 2HE2 GLN 65 -1.373 1.484 -12.648 445 H ILE 66 H ILE 66 -3.145 1.652 -8.733 446 HA ILE 66 HA ILE 66 -4.771 1.203 -6.568 447 HB ILE 66 HB ILE 66 -4.963 0.346 -9.449 448 HG12 ILE 66 1HG1 ILE 66 -4.985 2.828 -8.590 449 HG13 ILE 66 2HG1 ILE 66 -6.098 2.297 -9.834 450 HG21 ILE 66 1HG2 ILE 66 -6.675 -0.380 -7.168 451 HG22 ILE 66 2HG2 ILE 66 -7.540 0.330 -8.552 452 HG23 ILE 66 3HG2 ILE 66 -6.527 -1.115 -8.782 453 HD11 ILE 66 1HD1 ILE 66 -6.955 3.634 -7.677 454 HD12 ILE 66 2HD1 ILE 66 -7.945 2.354 -8.420 455 HD13 ILE 66 3HD1 ILE 66 -6.976 2.000 -6.969 456 H GLY 67 H GLY 67 -4.655 -0.314 -5.010 457 HA2 GLY 67 1HA GLY 67 -4.855 -2.502 -4.273 458 HA3 GLY 67 2HA GLY 67 -4.269 -3.098 -5.813 459 H ASP 68 H ASP 68 -2.746 -0.471 -3.880 460 HA ASP 68 HA ASP 68 -0.227 -1.513 -4.153 461 HB2 ASP 68 1HB ASP 68 -1.454 0.372 -2.099 462 HB3 ASP 68 2HB ASP 68 0.258 -0.003 -2.085 463 H ARG 69 H ARG 69 1.075 -1.720 -1.725 464 HA ARG 69 HA ARG 69 -0.401 -3.830 -0.366 465 HB2 ARG 69 1HB ARG 69 2.609 -3.625 -0.878 466 HB3 ARG 69 2HB ARG 69 1.864 -4.867 0.108 467 HG2 ARG 69 1HG ARG 69 2.042 -5.934 -1.985 468 HG3 ARG 69 2HG ARG 69 0.384 -5.367 -1.998 469 HD2 ARG 69 1HD ARG 69 1.616 -4.868 -4.141 470 HD3 ARG 69 2HD ARG 69 0.975 -3.431 -3.370 471 HE ARG 69 HE ARG 69 3.773 -4.164 -2.699 472 HH11 ARG 69 2HH2 ARG 69 1.581 -2.112 -4.534 473 HH12 ARG 69 1HH2 ARG 69 2.786 -0.916 -4.879 474 HH21 ARG 69 2HH1 ARG 69 5.362 -2.587 -3.154 475 HH22 ARG 69 1HH1 ARG 69 4.951 -1.188 -4.089 476 H VAL 70 H VAL 70 -0.948 -1.455 0.682 477 HA VAL 70 HA VAL 70 0.945 -0.249 2.319 478 HB VAL 70 HB VAL 70 -1.293 0.613 1.562 479 HG11 VAL 70 1HG1 VAL 70 -3.285 -0.073 2.465 480 HG12 VAL 70 2HG1 VAL 70 -2.390 -1.610 2.537 481 HG13 VAL 70 3HG1 VAL 70 -2.542 -0.599 3.994 482 HG21 VAL 70 1HG2 VAL 70 0.025 0.960 4.153 483 HG22 VAL 70 2HG2 VAL 70 -0.595 2.176 3.011 484 HG23 VAL 70 3HG2 VAL 70 -1.695 1.416 4.187 485 H MET 71 H MET 71 2.207 -1.797 3.430 486 HA MET 71 HA MET 71 0.997 -3.835 4.932 487 HB2 MET 71 1HB MET 71 3.782 -2.590 5.261 488 HB3 MET 71 2HB MET 71 3.309 -4.201 5.761 489 HG2 MET 71 1HG MET 71 3.474 -3.163 2.893 490 HG3 MET 71 2HG MET 71 4.526 -4.352 3.636 491 HE1 MET 71 1HE MET 71 3.091 -7.523 3.403 492 HE2 MET 71 2HE MET 71 4.110 -6.395 4.328 493 HE3 MET 71 3HE MET 71 2.498 -6.840 4.936 494 H ALA 72 H ALA 72 1.816 -0.449 5.553 495 HA ALA 72 HA ALA 72 0.492 -0.634 8.109 496 HB1 ALA 72 1HB ALA 72 3.375 0.325 7.897 497 HB2 ALA 72 2HB ALA 72 2.360 0.352 9.359 498 HB3 ALA 72 3HB ALA 72 2.851 -1.203 8.644 499 H ILE 73 H ILE 73 0.194 1.639 9.039 500 HA ILE 73 HA ILE 73 0.327 3.646 6.910 501 HB ILE 73 HB ILE 73 -2.082 2.932 8.581 502 HG12 ILE 73 1HG1 ILE 73 -1.744 3.001 5.570 503 HG13 ILE 73 2HG1 ILE 73 -1.603 1.548 6.539 504 HG21 ILE 73 1HG2 ILE 73 -2.261 5.084 6.548 505 HG22 ILE 73 2HG2 ILE 73 -3.082 4.904 8.117 506 HG23 ILE 73 3HG2 ILE 73 -1.400 5.482 8.054 507 HD11 ILE 73 1HD1 ILE 73 -3.902 1.702 7.282 508 HD12 ILE 73 2HD1 ILE 73 -4.067 3.342 6.609 509 HD13 ILE 73 3HD1 ILE 73 -3.905 1.944 5.519 510 H ASN 74 H ASN 74 1.857 5.009 7.711 511 HA ASN 74 HA ASN 74 2.687 6.573 8.978 512 HB2 ASN 74 1HB ASN 74 -0.018 6.430 9.970 513 HB3 ASN 74 2HB ASN 74 1.030 6.561 11.369 514 HD21 ASN 74 1HD2 ASN 74 -0.860 8.401 9.841 515 HD22 ASN 74 2HD2 ASN 74 0.022 9.876 9.624 516 H GLY 75 H GLY 75 2.539 3.384 9.569 517 HA2 GLY 75 1HA GLY 75 4.419 2.419 10.747 518 HA3 GLY 75 2HA GLY 75 4.128 3.545 12.059 519 H ILE 76 H ILE 76 1.047 3.054 11.346 520 HA ILE 76 HA ILE 76 0.695 1.115 13.394 521 HB ILE 76 HB ILE 76 -1.229 2.510 11.533 522 HG12 ILE 76 1HG1 ILE 76 -0.137 3.096 14.266 523 HG13 ILE 76 2HG1 ILE 76 -0.356 4.169 12.897 524 HG21 ILE 76 1HG2 ILE 76 -2.014 1.052 14.050 525 HG22 ILE 76 2HG2 ILE 76 -3.038 1.628 12.713 526 HG23 ILE 76 3HG2 ILE 76 -1.963 0.229 12.473 527 HD11 ILE 76 1HD1 ILE 76 -2.834 4.024 13.173 528 HD12 ILE 76 2HD1 ILE 76 -2.599 2.955 14.576 529 HD13 ILE 76 3HD1 ILE 76 -2.039 4.643 14.640 530 HA PRO 77 HA PRO 77 0.647 -2.407 10.888 531 HB2 PRO 77 1HB PRO 77 -0.482 -4.195 12.619 532 HB3 PRO 77 2HB PRO 77 1.214 -3.756 12.665 533 HG2 PRO 77 1HG PRO 77 -0.966 -2.924 14.480 534 HG3 PRO 77 2HG PRO 77 0.765 -2.854 14.740 535 HD2 PRO 77 1HD PRO 77 -0.960 -0.661 14.078 536 HD3 PRO 77 2HD PRO 77 0.785 -0.614 14.224 537 H THR 78 H THR 78 -0.503 -2.698 9.096 538 HA THR 78 HA THR 78 -3.396 -2.402 9.422 539 HB THR 78 HB THR 78 -3.316 -2.081 6.951 540 HG1 THR 78 1HG THR 78 -1.488 -3.614 6.702 541 HG21 THR 78 1HG2 THR 78 -1.188 -0.337 7.046 542 HG22 THR 78 2HG2 THR 78 -2.810 0.067 7.660 543 HG23 THR 78 3HG2 THR 78 -1.549 -0.501 8.781 544 H GLU 79 H GLU 79 -3.070 -4.599 10.670 545 HA GLU 79 HA GLU 79 -4.252 -6.506 9.030 546 HB2 GLU 79 1HB GLU 79 -1.915 -6.777 8.183 547 HB3 GLU 79 2HB GLU 79 -1.369 -7.134 9.809 548 HG2 GLU 79 1HG GLU 79 -3.360 -8.964 9.663 549 HG3 GLU 79 2HG GLU 79 -3.030 -8.819 7.948 550 H ASP 80 H ASP 80 -5.458 -5.727 11.122 551 HA ASP 80 HA ASP 80 -5.589 -7.859 12.831 552 HB2 ASP 80 1HB ASP 80 -3.437 -7.120 13.760 553 HB3 ASP 80 2HB ASP 80 -4.028 -5.480 13.934 554 H SER 81 H SER 81 -5.722 -4.244 12.591 555 HA SER 81 HA SER 81 -8.001 -4.062 14.251 556 HB2 SER 81 1HB SER 81 -7.897 -1.696 12.775 557 HB3 SER 81 2HB SER 81 -7.127 -1.975 14.325 558 HG SER 81 HG SER 81 -5.328 -1.539 13.231 559 H THR 82 H THR 82 -9.741 -2.306 12.911 560 HA THR 82 HA THR 82 -10.875 -4.120 10.911 561 HB THR 82 HB THR 82 -12.972 -3.176 11.561 562 HG1 THR 82 1HG THR 82 -11.222 -1.078 12.636 563 HG21 THR 82 1HG2 THR 82 -11.921 -4.379 13.529 564 HG22 THR 82 2HG2 THR 82 -11.232 -2.825 14.057 565 HG23 THR 82 3HG2 THR 82 -12.997 -3.052 14.026 566 H PHE 83 H PHE 83 -11.816 -3.265 8.932 567 HA PHE 83 HA PHE 83 -10.035 -1.801 7.471 568 HB2 PHE 83 1HB PHE 83 -11.716 -3.031 6.298 569 HB3 PHE 83 2HB PHE 83 -12.990 -2.491 7.373 570 HD1 PHE 83 2HD PHE 83 -13.911 -0.177 7.117 571 HD2 PHE 83 1HD PHE 83 -11.218 -1.852 4.298 572 HE1 PHE 83 2HE PHE 83 -14.600 1.552 5.433 573 HE2 PHE 83 1HE PHE 83 -11.907 -0.123 2.613 574 HZ PHE 83 HZ PHE 83 -13.589 1.558 3.201 575 H GLU 84 H GLU 84 -12.626 -0.675 9.630 576 HA GLU 84 HA GLU 84 -12.782 1.908 8.582 577 HB2 GLU 84 1HB GLU 84 -13.548 0.640 11.226 578 HB3 GLU 84 2HB GLU 84 -13.712 2.370 10.999 579 HG2 GLU 84 1HG GLU 84 -15.057 1.864 8.873 580 HG3 GLU 84 2HG GLU 84 -15.034 0.175 9.340 581 H GLU 85 H GLU 85 -10.650 0.320 10.967 582 HA GLU 85 HA GLU 85 -9.642 2.555 12.187 583 HB2 GLU 85 1HB GLU 85 -9.106 -0.226 12.146 584 HB3 GLU 85 2HB GLU 85 -7.576 0.532 11.749 585 HG2 GLU 85 1HG GLU 85 -9.298 1.383 14.123 586 HG3 GLU 85 2HG GLU 85 -8.010 0.201 14.246 587 H ALA 86 H ALA 86 -7.968 0.670 9.556 588 HA ALA 86 HA ALA 86 -5.967 2.357 8.984 589 HB1 ALA 86 1HB ALA 86 -5.934 0.426 7.723 590 HB2 ALA 86 2HB ALA 86 -7.675 0.502 7.361 591 HB3 ALA 86 3HB ALA 86 -6.539 1.562 6.493 592 H ASN 87 H ASN 87 -9.363 2.616 7.743 593 HA ASN 87 HA ASN 87 -8.981 4.764 6.122 594 HB2 ASN 87 1HB ASN 87 -11.122 3.299 6.645 595 HB3 ASN 87 2HB ASN 87 -11.460 4.502 7.874 596 HD21 ASN 87 1HD2 ASN 87 -11.436 3.730 4.537 597 HD22 ASN 87 2HD2 ASN 87 -12.085 5.206 3.906 598 H GLN 88 H GLN 88 -9.973 4.653 9.627 599 HA GLN 88 HA GLN 88 -10.218 7.333 10.035 600 HB2 GLN 88 1HB GLN 88 -10.220 4.981 11.605 601 HB3 GLN 88 2HB GLN 88 -9.005 6.004 12.345 602 HG2 GLN 88 1HG GLN 88 -11.314 6.391 13.269 603 HG3 GLN 88 2HG GLN 88 -10.589 7.841 12.602 604 HE21 GLN 88 1HE2 GLN 88 -12.100 5.026 11.040 605 HE22 GLN 88 2HE2 GLN 88 -13.345 5.882 10.193 606 H LEU 89 H LEU 89 -7.267 5.252 10.278 607 HA LEU 89 HA LEU 89 -5.466 6.929 11.332 608 HB2 LEU 89 1HB LEU 89 -4.996 5.227 8.882 609 HB3 LEU 89 2HB LEU 89 -3.780 5.795 10.008 610 HG LEU 89 HG LEU 89 -5.930 3.725 10.468 611 HD11 LEU 89 1HD1 LEU 89 -2.908 3.649 10.692 612 HD12 LEU 89 2HD1 LEU 89 -4.011 2.305 11.076 613 HD13 LEU 89 3HD1 LEU 89 -3.902 2.918 9.409 614 HD21 LEU 89 1HD2 LEU 89 -4.331 5.259 12.512 615 HD22 LEU 89 2HD2 LEU 89 -6.079 4.925 12.469 616 HD23 LEU 89 3HD2 LEU 89 -4.930 3.614 12.831 617 H LEU 90 H LEU 90 -6.572 6.951 7.881 618 HA LEU 90 HA LEU 90 -4.941 9.087 7.117 619 HB2 LEU 90 1HB LEU 90 -7.460 7.859 6.035 620 HB3 LEU 90 2HB LEU 90 -6.768 9.291 5.297 621 HG LEU 90 HG LEU 90 -5.580 6.524 5.490 622 HD11 LEU 90 1HD1 LEU 90 -5.251 7.247 2.941 623 HD12 LEU 90 2HD1 LEU 90 -6.755 6.512 3.547 624 HD13 LEU 90 3HD1 LEU 90 -6.649 8.276 3.334 625 HD21 LEU 90 1HD2 LEU 90 -3.656 7.840 4.154 626 HD22 LEU 90 2HD2 LEU 90 -4.169 9.127 5.272 627 HD23 LEU 90 3HD2 LEU 90 -3.615 7.562 5.912 628 H ARG 91 H ARG 91 -8.484 9.048 7.943 629 HA ARG 91 HA ARG 91 -8.999 11.640 7.771 630 HB2 ARG 91 1HB ARG 91 -9.950 9.464 9.614 631 HB3 ARG 91 2HB ARG 91 -10.408 11.098 10.051 632 HG2 ARG 91 1HG ARG 91 -10.799 10.712 7.189 633 HG3 ARG 91 2HG ARG 91 -11.602 9.425 8.066 634 HD2 ARG 91 1HD ARG 91 -13.300 10.873 8.496 635 HD3 ARG 91 2HD ARG 91 -12.212 11.754 9.551 636 HE ARG 91 HE ARG 91 -13.047 12.539 6.863 637 HH11 ARG 91 2HH2 ARG 91 -10.524 12.887 9.290 638 HH12 ARG 91 1HH2 ARG 91 -9.964 14.407 8.675 639 HH21 ARG 91 2HH1 ARG 91 -12.309 14.544 6.051 640 HH22 ARG 91 1HH1 ARG 91 -10.987 15.355 6.820 641 H ASP 92 H ASP 92 -7.112 9.994 10.324 642 HA ASP 92 HA ASP 92 -7.080 12.248 12.029 643 HB2 ASP 92 1HB ASP 92 -6.428 9.539 12.240 644 HB3 ASP 92 2HB ASP 92 -4.853 10.306 12.282 645 H SER 93 H SER 93 -4.781 10.617 9.734 646 HA SER 93 HA SER 93 -2.562 12.054 10.112 647 HB2 SER 93 1HB SER 93 -3.819 10.715 7.761 648 HB3 SER 93 2HB SER 93 -2.546 11.855 7.372 649 HG SER 93 HG SER 93 -1.921 10.147 9.513 650 H SER 94 H SER 94 -5.553 13.057 8.407 651 HA SER 94 HA SER 94 -4.738 15.197 7.030 652 HB2 SER 94 1HB SER 94 -7.167 14.164 7.782 653 HB3 SER 94 2HB SER 94 -7.180 15.669 8.679 654 HG SER 94 HG SER 94 -7.993 15.570 6.306 655 H ILE 95 H ILE 95 -4.845 14.799 10.545 656 HA ILE 95 HA ILE 95 -4.916 17.435 11.358 657 HB ILE 95 HB ILE 95 -3.829 14.890 12.475 658 HG12 ILE 95 1HG1 ILE 95 -5.793 16.789 13.744 659 HG13 ILE 95 2HG1 ILE 95 -6.300 15.717 12.454 660 HG21 ILE 95 1HG2 ILE 95 -3.458 16.392 14.617 661 HG22 ILE 95 2HG2 ILE 95 -2.166 16.144 13.419 662 HG23 ILE 95 3HG2 ILE 95 -3.124 17.644 13.397 663 HD11 ILE 95 1HD1 ILE 95 -4.697 14.213 14.351 664 HD12 ILE 95 2HD1 ILE 95 -5.990 15.082 15.213 665 HD13 ILE 95 3HD1 ILE 95 -6.398 13.968 13.886 666 H THR 96 H THR 96 -1.879 15.447 11.229 667 HA THR 96 HA THR 96 -0.265 17.777 11.119 668 HB THR 96 HB THR 96 0.344 15.511 12.108 669 HG1 THR 96 1HG THR 96 2.517 15.728 11.134 670 HG21 THR 96 1HG2 THR 96 0.661 13.638 10.792 671 HG22 THR 96 2HG2 THR 96 -0.483 14.444 9.692 672 HG23 THR 96 3HG2 THR 96 1.270 14.597 9.421 673 H SER 97 H SER 97 -2.259 16.359 8.786 674 HA SER 97 HA SER 97 -2.496 16.688 6.654 675 HB2 SER 97 1HB SER 97 -0.726 18.968 7.403 676 HB3 SER 97 2HB SER 97 -0.750 18.582 5.694 677 HG SER 97 HG SER 97 -2.678 19.485 5.546 678 H LYS 98 H LYS 98 -0.471 14.772 7.771 679 HA LYS 98 HA LYS 98 0.856 14.223 5.262 680 HB2 LYS 98 1HB LYS 98 2.296 15.678 7.042 681 HB3 LYS 98 2HB LYS 98 2.677 14.062 7.601 682 HG2 LYS 98 1HG LYS 98 4.178 13.896 5.910 683 HG3 LYS 98 2HG LYS 98 2.836 13.880 4.783 684 HD2 LYS 98 1HD LYS 98 3.359 15.953 4.020 685 HD3 LYS 98 2HD LYS 98 3.332 16.616 5.641 686 HE2 LYS 98 1HE LYS 98 5.718 14.937 4.917 687 HE3 LYS 98 2HE LYS 98 5.593 16.500 4.135 688 HZ1 LYS 98 1HZ LYS 98 5.090 17.256 6.551 689 HZ2 LYS 98 2HZ LYS 98 5.901 15.897 6.953 690 HZ3 LYS 98 3HZ LYS 98 6.631 17.047 6.052 691 H VAL 99 H VAL 99 1.400 11.987 5.027 692 HA VAL 99 HA VAL 99 0.784 10.250 7.261 693 HB VAL 99 HB VAL 99 -1.393 10.632 6.257 694 HG11 VAL 99 1HG1 VAL 99 0.078 10.581 3.800 695 HG12 VAL 99 2HG1 VAL 99 -1.162 9.305 3.746 696 HG13 VAL 99 3HG1 VAL 99 -1.633 10.990 4.071 697 HG21 VAL 99 1HG2 VAL 99 -1.680 8.123 5.362 698 HG22 VAL 99 2HG2 VAL 99 -0.066 7.965 6.097 699 HG23 VAL 99 3HG2 VAL 99 -1.445 8.506 7.084 700 H THR 100 H THR 100 1.936 8.317 7.159 701 HA THR 100 HA THR 100 3.664 8.056 4.786 702 HB THR 100 HB THR 100 4.102 7.410 7.747 703 HG1 THR 100 1HG THR 100 4.342 9.650 6.930 704 HG21 THR 100 1HG2 THR 100 6.197 7.217 5.553 705 HG22 THR 100 2HG2 THR 100 6.240 6.531 7.194 706 HG23 THR 100 3HG2 THR 100 5.198 5.800 5.951 707 H LEU 101 H LEU 101 2.800 6.596 3.432 708 HA LEU 101 HA LEU 101 1.451 4.298 4.598 709 HB2 LEU 101 1HB LEU 101 1.615 5.460 1.826 710 HB3 LEU 101 2HB LEU 101 0.955 3.864 2.125 711 HG LEU 101 HG LEU 101 -0.770 5.622 1.921 712 HD11 LEU 101 1HD1 LEU 101 -1.745 3.920 3.039 713 HD12 LEU 101 2HD1 LEU 101 -0.475 3.859 4.286 714 HD13 LEU 101 3HD1 LEU 101 -1.750 5.098 4.374 715 HD21 LEU 101 1HD2 LEU 101 0.333 6.713 4.524 716 HD22 LEU 101 2HD2 LEU 101 0.549 7.464 2.924 717 HD23 LEU 101 3HD2 LEU 101 -1.081 7.307 3.621 718 H GLU 102 H GLU 102 2.626 2.537 5.105 719 HA GLU 102 HA GLU 102 5.165 2.212 3.783 720 HB2 GLU 102 1HB GLU 102 4.811 1.998 6.317 721 HB3 GLU 102 2HB GLU 102 3.976 0.492 5.996 722 HG2 GLU 102 1HG GLU 102 5.915 -0.624 5.370 723 HG3 GLU 102 2HG GLU 102 6.654 0.811 4.687 724 H ILE 103 H ILE 103 5.305 1.019 1.937 725 HA ILE 103 HA ILE 103 3.304 -1.100 1.581 726 HB ILE 103 HB ILE 103 4.882 0.303 -0.570 727 HG12 ILE 103 1HG1 ILE 103 3.374 1.825 0.846 728 HG13 ILE 103 2HG1 ILE 103 3.178 1.857 -0.895 729 HG21 ILE 103 1HG2 ILE 103 2.625 -1.678 -0.522 730 HG22 ILE 103 2HG2 ILE 103 2.806 -0.550 -1.887 731 HG23 ILE 103 3HG2 ILE 103 4.122 -1.679 -1.486 732 HD11 ILE 103 1HD1 ILE 103 1.019 1.204 -0.714 733 HD12 ILE 103 2HD1 ILE 103 1.494 -0.236 0.217 734 HD13 ILE 103 3HD1 ILE 103 1.184 1.303 1.056 735 H GLU 104 H GLU 104 4.173 -2.973 0.159 736 HA GLU 104 HA GLU 104 6.991 -3.400 0.657 737 HB2 GLU 104 1HB GLU 104 6.199 -4.522 2.564 738 HB3 GLU 104 2HB GLU 104 4.724 -5.049 1.778 739 HG2 GLU 104 1HG GLU 104 5.740 -6.877 0.764 740 HG3 GLU 104 2HG GLU 104 7.284 -6.066 0.590 741 H PHE 105 H PHE 105 7.963 -4.195 -1.166 742 HA PHE 105 HA PHE 105 6.204 -5.546 -3.091 743 HB2 PHE 105 1HB PHE 105 8.076 -4.528 -4.695 744 HB3 PHE 105 2HB PHE 105 6.808 -3.469 -4.109 745 HD1 PHE 105 2HD PHE 105 7.327 -2.134 -1.944 746 HD2 PHE 105 1HD PHE 105 10.307 -3.964 -4.348 747 HE1 PHE 105 2HE PHE 105 9.058 -0.605 -0.961 748 HE2 PHE 105 1HE PHE 105 12.038 -2.436 -3.365 749 HZ PHE 105 HZ PHE 105 11.393 -0.775 -1.683 750 H ASP 106 H ASP 106 7.858 -6.643 -4.862 751 HA ASP 106 HA ASP 106 9.556 -8.307 -3.186 752 HB2 ASP 106 1HB ASP 106 9.407 -9.855 -5.283 753 HB3 ASP 106 2HB ASP 106 8.001 -9.727 -4.246 754 H VAL 107 H VAL 107 11.743 -8.789 -3.965 755 HA VAL 107 HA VAL 107 12.655 -6.899 -6.018 756 HB VAL 107 HB VAL 107 14.345 -8.251 -3.922 757 HG11 VAL 107 1HG1 VAL 107 14.782 -5.593 -5.302 758 HG12 VAL 107 2HG1 VAL 107 15.955 -6.580 -4.399 759 HG13 VAL 107 3HG1 VAL 107 15.358 -7.134 -5.981 760 HG21 VAL 107 1HG2 VAL 107 12.955 -7.143 -2.468 761 HG22 VAL 107 2HG2 VAL 107 14.110 -5.841 -2.839 762 HG23 VAL 107 3HG2 VAL 107 12.528 -5.886 -3.654 763 H ALA 108 H ALA 108 14.159 -7.645 -7.627 764 HA ALA 108 HA ALA 108 13.603 -10.296 -8.477 765 HB1 ALA 108 1HB ALA 108 14.505 -7.882 -9.602 766 HB2 ALA 108 2HB ALA 108 15.869 -9.011 -9.786 767 HB3 ALA 108 3HB ALA 108 14.270 -9.432 -10.445 768 H GLU 109 H GLU 109 14.994 -12.112 -8.565 769 HA GLU 109 HA GLU 109 17.053 -11.997 -6.543 770 HB2 GLU 109 1HB GLU 109 15.489 -14.206 -7.884 771 HB3 GLU 109 2HB GLU 109 17.020 -14.595 -7.125 772 HG2 GLU 109 1HG GLU 109 14.991 -12.951 -5.591 773 HG3 GLU 109 2HG GLU 109 14.762 -14.684 -5.721 774 H SER 110 H SER 110 19.121 -13.358 -7.027 775 HA SER 110 HA SER 110 20.344 -12.193 -9.240 776 HB2 SER 110 1HB SER 110 21.262 -14.577 -7.570 777 HB3 SER 110 2HB SER 110 22.286 -13.620 -8.623 778 HG SER 110 HG SER 110 22.364 -13.015 -6.312 779 H VAL 111 H VAL 111 19.551 -12.728 -11.280 780 HA VAL 111 HA VAL 111 18.993 -15.521 -11.845 781 HB VAL 111 HB VAL 111 17.613 -13.368 -12.467 782 HG11 VAL 111 1HG1 VAL 111 19.392 -12.211 -13.666 783 HG12 VAL 111 2HG1 VAL 111 19.561 -13.582 -14.788 784 HG13 VAL 111 3HG1 VAL 111 18.065 -12.617 -14.781 785 HG21 VAL 111 1HG2 VAL 111 18.044 -15.913 -13.991 786 HG22 VAL 111 2HG2 VAL 111 16.621 -15.351 -13.081 787 HG23 VAL 111 3HG2 VAL 111 16.979 -14.668 -14.685 788 H ILE 112 H ILE 112 20.049 -16.709 -13.523 789 HA ILE 112 HA ILE 112 22.742 -16.578 -13.603 790 HB ILE 112 HB ILE 112 20.875 -17.517 -15.784 791 HG12 ILE 112 1HG1 ILE 112 20.243 -18.672 -13.850 792 HG13 ILE 112 2HG1 ILE 112 21.342 -19.765 -14.669 793 HG21 ILE 112 1HG2 ILE 112 23.319 -17.168 -16.419 794 HG22 ILE 112 2HG2 ILE 112 23.690 -18.487 -15.284 795 HG23 ILE 112 3HG2 ILE 112 22.636 -18.790 -16.685 796 HD11 ILE 112 1HD1 ILE 112 21.772 -18.168 -12.150 797 HD12 ILE 112 2HD1 ILE 112 22.204 -19.857 -12.507 798 HD13 ILE 112 3HD1 ILE 112 23.183 -18.529 -13.173 799 HA PRO 113 HA PRO 113 23.727 -13.107 -15.985 800 HB2 PRO 113 1HB PRO 113 26.369 -13.611 -16.471 801 HB3 PRO 113 2HB PRO 113 25.785 -12.918 -14.971 802 HG2 PRO 113 1HG PRO 113 26.721 -15.672 -15.500 803 HG3 PRO 113 2HG PRO 113 26.543 -14.849 -13.963 804 HD2 PRO 113 1HD PRO 113 24.783 -16.829 -15.064 805 HD3 PRO 113 2HD PRO 113 24.546 -15.922 -13.583 806 H SER 114 H SER 114 23.623 -12.339 -18.047 807 HA SER 114 HA SER 114 24.586 -13.960 -20.131 808 HB2 SER 114 1HB SER 114 22.190 -14.896 -19.313 809 HB3 SER 114 2HB SER 114 21.607 -13.613 -20.355 810 HG SER 114 HG SER 114 23.078 -15.969 -21.025 811 H SER 115 H SER 115 25.480 -12.307 -21.314 812 HA SER 115 HA SER 115 23.764 -9.986 -21.745 813 HB2 SER 115 1HB SER 115 25.755 -8.569 -21.778 814 HB3 SER 115 2HB SER 115 25.713 -9.470 -20.275 815 HG SER 115 HG SER 115 27.068 -10.855 -22.273 816 H GLY 116 H GLY 116 24.519 -8.732 -23.838 817 HA2 GLY 116 1HA GLY 116 25.081 -10.756 -25.919 818 HA3 GLY 116 2HA GLY 116 24.056 -9.350 -26.123 819 H SER 117 H SER 117 24.944 -7.437 -26.857 820 HA SER 117 HA SER 117 27.854 -7.299 -26.778 821 HB2 SER 117 1HB SER 117 27.664 -6.094 -29.035 822 HB3 SER 117 2HB SER 117 27.380 -7.824 -29.054 823 HG SER 117 HG SER 117 25.043 -7.328 -28.924 824 H GLY 118 H GLY 118 28.520 -5.503 -25.662 825 HA2 GLY 118 1HA GLY 118 27.576 -2.918 -26.110 826 HA3 GLY 118 2HA GLY 118 26.701 -3.556 -24.732 827 HA PRO 119 HA PRO 119 30.479 -2.022 -22.901 828 HB2 PRO 119 1HB PRO 119 29.350 -1.081 -20.597 829 HB3 PRO 119 2HB PRO 119 29.556 -0.099 -22.033 830 HG2 PRO 119 1HG PRO 119 27.086 -1.318 -20.959 831 HG3 PRO 119 2HG PRO 119 27.252 -0.014 -22.117 832 HD2 PRO 119 1HD PRO 119 26.574 -2.741 -22.690 833 HD3 PRO 119 2HD PRO 119 26.853 -1.463 -23.856 834 H SER 120 H SER 120 31.622 -2.435 -20.762 835 HA SER 120 HA SER 120 31.183 -5.230 -20.293 836 HB2 SER 120 1HB SER 120 33.464 -3.872 -20.544 837 HB3 SER 120 2HB SER 120 33.252 -3.587 -18.828 838 HG SER 120 HG SER 120 33.589 -6.091 -20.206 839 H SER 121 H SER 121 31.731 -2.323 -18.157 840 HA SER 121 HA SER 121 29.623 -3.363 -16.453 841 HB2 SER 121 1HB SER 121 32.404 -2.512 -15.541 842 HB3 SER 121 2HB SER 121 31.052 -2.706 -14.443 843 HG SER 121 HG SER 121 32.293 -4.736 -16.087 844 H GLY 122 H GLY 122 32.049 -0.645 -16.644 845 HA2 GLY 122 1HA GLY 122 30.245 1.351 -17.350 846 HA3 GLY 122 2HA GLY 122 30.276 1.296 -15.599 Start of MODEL 4 1 H1 GLY 1 H GLY 1 3.147 -28.695 8.531 2 HA2 GLY 1 1HA GLY 1 5.503 -29.046 10.243 3 HA3 GLY 1 2HA GLY 1 4.923 -30.427 9.333 4 H SER 2 H SER 2 5.977 -26.986 8.982 5 HA SER 2 HA SER 2 6.908 -27.733 6.320 6 HB2 SER 2 1HB SER 2 4.950 -26.012 6.542 7 HB3 SER 2 2HB SER 2 6.174 -24.896 7.113 8 HG SER 2 HG SER 2 5.599 -25.632 4.546 9 H SER 3 H SER 3 8.827 -26.290 5.585 10 HA SER 3 HA SER 3 10.848 -25.555 5.874 11 HB2 SER 3 1HB SER 3 9.799 -23.689 7.113 12 HB3 SER 3 2HB SER 3 9.852 -24.615 8.600 13 HG SER 3 HG SER 3 12.113 -23.665 7.060 14 H GLY 4 H GLY 4 12.858 -26.456 6.492 15 HA2 GLY 4 1HA GLY 4 13.466 -27.696 8.883 16 HA3 GLY 4 2HA GLY 4 12.763 -28.942 7.872 17 H SER 5 H SER 5 13.619 -28.677 5.376 18 HA SER 5 HA SER 5 16.221 -29.492 5.446 19 HB2 SER 5 1HB SER 5 14.697 -29.958 3.573 20 HB3 SER 5 2HB SER 5 14.636 -28.258 3.152 21 HG SER 5 HG SER 5 16.181 -28.990 1.779 22 H SER 6 H SER 6 18.231 -28.465 4.671 23 HA SER 6 HA SER 6 18.114 -25.577 4.554 24 HB2 SER 6 1HB SER 6 19.506 -27.212 6.654 25 HB3 SER 6 2HB SER 6 20.365 -25.812 6.043 26 HG SER 6 HG SER 6 17.927 -24.891 6.461 27 H GLY 7 H GLY 7 19.443 -24.802 2.928 28 HA2 GLY 7 1HA GLY 7 21.929 -25.969 2.244 29 HA3 GLY 7 2HA GLY 7 20.691 -26.520 1.133 30 H ALA 8 H ALA 8 20.952 -25.364 -0.741 31 HA ALA 8 HA ALA 8 21.950 -22.728 -0.769 32 HB1 ALA 8 1HB ALA 8 22.283 -24.214 -2.647 33 HB2 ALA 8 2HB ALA 8 20.528 -24.446 -2.838 34 HB3 ALA 8 3HB ALA 8 21.260 -22.863 -3.193 35 H GLY 9 H GLY 9 18.673 -23.965 -1.762 36 HA2 GLY 9 1HA GLY 9 16.659 -22.966 -1.743 37 HA3 GLY 9 2HA GLY 9 17.134 -22.316 -0.186 38 H GLN 10 H GLN 10 16.773 -21.674 -3.640 39 HA GLN 10 HA GLN 10 17.846 -19.013 -3.292 40 HB2 GLN 10 1HB GLN 10 16.723 -20.278 -5.826 41 HB3 GLN 10 2HB GLN 10 17.710 -18.835 -5.720 42 HG2 GLN 10 1HG GLN 10 18.860 -21.322 -4.496 43 HG3 GLN 10 2HG GLN 10 18.736 -21.305 -6.243 44 HE21 GLN 10 1HE2 GLN 10 21.171 -21.464 -5.274 45 HE22 GLN 10 2HE2 GLN 10 22.060 -19.984 -5.416 46 H VAL 11 H VAL 11 16.576 -17.198 -3.066 47 HA VAL 11 HA VAL 11 13.861 -17.222 -4.001 48 HB VAL 11 HB VAL 11 13.692 -18.398 -1.847 49 HG11 VAL 11 1HG1 VAL 11 13.985 -16.700 0.189 50 HG12 VAL 11 2HG1 VAL 11 15.325 -17.716 -0.395 51 HG13 VAL 11 3HG1 VAL 11 15.218 -16.011 -0.894 52 HG21 VAL 11 1HG2 VAL 11 11.780 -17.282 -1.134 53 HG22 VAL 11 2HG2 VAL 11 12.482 -15.672 -1.430 54 HG23 VAL 11 3HG2 VAL 11 11.968 -16.685 -2.801 55 H VAL 12 H VAL 12 12.819 -14.991 -3.402 56 HA VAL 12 HA VAL 12 14.960 -13.007 -3.684 57 HB VAL 12 HB VAL 12 13.273 -13.366 -5.526 58 HG11 VAL 12 1HG1 VAL 12 11.074 -12.088 -5.097 59 HG12 VAL 12 2HG1 VAL 12 11.226 -13.734 -4.437 60 HG13 VAL 12 3HG1 VAL 12 11.432 -12.324 -3.370 61 HG21 VAL 12 1HG2 VAL 12 13.453 -11.178 -6.169 62 HG22 VAL 12 2HG2 VAL 12 12.952 -10.551 -4.581 63 HG23 VAL 12 3HG2 VAL 12 14.606 -11.165 -4.813 64 H HIS 13 H HIS 13 14.439 -10.810 -2.695 65 HA HIS 13 HA HIS 13 13.117 -11.275 -0.122 66 HB2 HIS 13 1HB HIS 13 14.620 -9.588 0.810 67 HB3 HIS 13 2HB HIS 13 15.503 -10.940 0.128 68 HD1 HIS 13 1HD HIS 13 16.753 -10.502 -2.200 69 HD2 HIS 13 2HD HIS 13 15.179 -7.102 -0.314 70 HE1 HIS 13 1HE HIS 13 17.856 -8.491 -3.316 71 H THR 14 H THR 14 12.160 -9.209 0.862 72 HA THR 14 HA THR 14 11.154 -7.435 -1.255 73 HB THR 14 HB THR 14 8.959 -7.613 0.257 74 HG1 THR 14 1HG THR 14 9.284 -9.212 1.749 75 HG21 THR 14 1HG2 THR 14 9.801 -9.992 -1.479 76 HG22 THR 14 2HG2 THR 14 8.135 -9.505 -1.084 77 HG23 THR 14 3HG2 THR 14 9.140 -8.473 -2.130 78 H GLU 15 H GLU 15 10.907 -5.283 -0.720 79 HA GLU 15 HA GLU 15 11.790 -4.650 1.988 80 HB2 GLU 15 1HB GLU 15 12.761 -3.702 -0.652 81 HB3 GLU 15 2HB GLU 15 12.466 -2.415 0.500 82 HG2 GLU 15 1HG GLU 15 13.774 -4.406 2.017 83 HG3 GLU 15 2HG GLU 15 14.604 -4.433 0.474 84 H THR 16 H THR 16 10.990 -2.486 2.803 85 HA THR 16 HA THR 16 8.316 -1.956 1.688 86 HB THR 16 HB THR 16 8.257 -0.960 4.236 87 HG1 THR 16 1HG THR 16 9.667 -2.326 5.480 88 HG21 THR 16 1HG2 THR 16 7.941 -3.873 3.354 89 HG22 THR 16 2HG2 THR 16 7.514 -3.303 4.986 90 HG23 THR 16 3HG2 THR 16 6.650 -2.667 3.566 91 H THR 17 H THR 17 7.587 0.186 1.437 92 HA THR 17 HA THR 17 9.738 2.192 1.585 93 HB THR 17 HB THR 17 9.440 1.467 -0.758 94 HG1 THR 17 1HG THR 17 8.676 3.641 -1.481 95 HG21 THR 17 1HG2 THR 17 7.241 0.592 -0.996 96 HG22 THR 17 2HG2 THR 17 6.511 1.941 -0.093 97 HG23 THR 17 3HG2 THR 17 7.099 2.196 -1.754 98 H GLU 18 H GLU 18 9.000 4.428 1.807 99 HA GLU 18 HA GLU 18 6.499 4.440 3.299 100 HB2 GLU 18 1HB GLU 18 8.213 5.108 4.781 101 HB3 GLU 18 2HB GLU 18 9.067 6.017 3.551 102 HG2 GLU 18 1HG GLU 18 7.237 7.707 3.503 103 HG3 GLU 18 2HG GLU 18 6.341 6.787 4.696 104 H VAL 19 H VAL 19 4.777 5.423 2.338 105 HA VAL 19 HA VAL 19 5.337 7.179 0.077 106 HB VAL 19 HB VAL 19 2.682 6.073 0.989 107 HG11 VAL 19 1HG1 VAL 19 2.418 6.257 -1.641 108 HG12 VAL 19 2HG1 VAL 19 2.171 7.669 -0.586 109 HG13 VAL 19 3HG1 VAL 19 3.711 7.466 -1.456 110 HG21 VAL 19 1HG2 VAL 19 3.380 4.493 -1.125 111 HG22 VAL 19 2HG2 VAL 19 4.951 4.698 -0.313 112 HG23 VAL 19 3HG2 VAL 19 3.565 4.035 0.585 113 H VAL 20 H VAL 20 5.354 9.341 0.375 114 HA VAL 20 HA VAL 20 3.945 10.359 2.736 115 HB VAL 20 HB VAL 20 6.447 10.650 2.449 116 HG11 VAL 20 1HG1 VAL 20 7.364 11.898 0.784 117 HG12 VAL 20 2HG1 VAL 20 5.911 11.365 -0.095 118 HG13 VAL 20 3HG1 VAL 20 5.953 12.976 0.660 119 HG21 VAL 20 1HG2 VAL 20 4.585 12.203 3.675 120 HG22 VAL 20 2HG2 VAL 20 6.340 12.491 3.763 121 HG23 VAL 20 3HG2 VAL 20 5.346 13.398 2.598 122 H LEU 21 H LEU 21 2.048 11.390 2.409 123 HA LEU 21 HA LEU 21 1.695 12.717 -0.183 124 HB2 LEU 21 1HB LEU 21 -0.421 11.123 1.265 125 HB3 LEU 21 2HB LEU 21 -0.600 11.967 -0.260 126 HG LEU 21 HG LEU 21 1.346 9.683 0.135 127 HD11 LEU 21 1HD1 LEU 21 -0.374 8.283 0.244 128 HD12 LEU 21 2HD1 LEU 21 -1.543 9.597 -0.030 129 HD13 LEU 21 3HD1 LEU 21 -0.796 8.767 -1.416 130 HD21 LEU 21 1HD2 LEU 21 0.407 11.296 -2.209 131 HD22 LEU 21 2HD2 LEU 21 2.045 10.751 -1.776 132 HD23 LEU 21 3HD2 LEU 21 0.870 9.594 -2.445 133 H THR 22 H THR 22 0.835 14.771 -0.091 134 HA THR 22 HA THR 22 0.403 15.798 2.621 135 HB THR 22 HB THR 22 0.749 17.411 0.059 136 HG1 THR 22 1HG THR 22 3.047 17.127 0.506 137 HG21 THR 22 1HG2 THR 22 2.037 18.877 1.707 138 HG22 THR 22 2HG2 THR 22 0.296 18.756 2.059 139 HG23 THR 22 3HG2 THR 22 1.465 17.808 3.010 140 H ALA 23 H ALA 23 -1.634 15.788 3.330 141 HA ALA 23 HA ALA 23 -3.870 15.339 1.881 142 HB1 ALA 23 1HB ALA 23 -3.529 15.520 4.416 143 HB2 ALA 23 2HB ALA 23 -3.771 17.273 4.219 144 HB3 ALA 23 3HB ALA 23 -5.071 16.139 3.779 145 H ASP 24 H ASP 24 -4.152 16.318 -0.112 146 HA ASP 24 HA ASP 24 -3.475 18.831 -0.793 147 HB2 ASP 24 1HB ASP 24 -5.077 16.717 -1.860 148 HB3 ASP 24 2HB ASP 24 -6.056 18.166 -1.981 149 HA PRO 25 HA PRO 25 -6.535 21.458 0.940 150 HB2 PRO 25 1HB PRO 25 -7.190 23.225 -1.039 151 HB3 PRO 25 2HB PRO 25 -5.720 23.347 -0.094 152 HG2 PRO 25 1HG PRO 25 -6.060 22.426 -2.883 153 HG3 PRO 25 2HG PRO 25 -4.599 22.954 -2.071 154 HD2 PRO 25 1HD PRO 25 -5.354 20.250 -2.659 155 HD3 PRO 25 2HD PRO 25 -3.951 20.772 -1.747 156 H VAL 26 H VAL 26 -7.427 19.498 -1.642 157 HA VAL 26 HA VAL 26 -10.218 19.802 -0.791 158 HB VAL 26 HB VAL 26 -9.056 19.770 -3.564 159 HG11 VAL 26 1HG1 VAL 26 -11.957 19.174 -2.895 160 HG12 VAL 26 2HG1 VAL 26 -11.216 19.258 -4.511 161 HG13 VAL 26 3HG1 VAL 26 -10.763 17.951 -3.391 162 HG21 VAL 26 1HG2 VAL 26 -11.286 21.454 -2.384 163 HG22 VAL 26 2HG2 VAL 26 -9.570 21.925 -2.352 164 HG23 VAL 26 3HG2 VAL 26 -10.406 21.715 -3.909 165 H THR 27 H THR 27 -8.026 17.731 -2.832 166 HA THR 27 HA THR 27 -9.380 15.391 -1.699 167 HB THR 27 HB THR 27 -8.115 14.276 -3.653 168 HG1 THR 27 1HG THR 27 -6.683 15.669 -4.600 169 HG21 THR 27 1HG2 THR 27 -9.779 14.835 -5.182 170 HG22 THR 27 2HG2 THR 27 -10.529 15.549 -3.734 171 HG23 THR 27 3HG2 THR 27 -9.618 16.579 -4.865 172 H GLY 28 H GLY 28 -8.269 15.990 0.413 173 HA2 GLY 28 1HA GLY 28 -5.857 16.149 1.238 174 HA3 GLY 28 2HA GLY 28 -6.833 14.825 1.842 175 H PHE 29 H PHE 29 -6.517 12.663 1.040 176 HA PHE 29 HA PHE 29 -3.940 12.369 -0.319 177 HB2 PHE 29 1HB PHE 29 -5.651 10.365 1.268 178 HB3 PHE 29 2HB PHE 29 -3.981 10.131 0.789 179 HD1 PHE 29 1HD PHE 29 -2.622 12.539 1.556 180 HD2 PHE 29 2HD PHE 29 -5.771 10.522 3.562 181 HE1 PHE 29 1HE PHE 29 -1.859 13.517 3.738 182 HE2 PHE 29 2HE PHE 29 -5.008 11.500 5.744 183 HZ PHE 29 HZ PHE 29 -3.061 12.986 5.806 184 H GLY 30 H GLY 30 -7.409 11.809 -0.556 185 HA2 GLY 30 1HA GLY 30 -8.692 10.836 -2.125 186 HA3 GLY 30 2HA GLY 30 -7.430 11.282 -3.257 187 H ILE 31 H ILE 31 -8.050 8.803 -0.664 188 HA ILE 31 HA ILE 31 -7.181 6.772 -2.572 189 HB ILE 31 HB ILE 31 -6.149 6.936 0.260 190 HG12 ILE 31 1HG1 ILE 31 -4.772 7.603 -2.357 191 HG13 ILE 31 2HG1 ILE 31 -5.161 8.720 -1.064 192 HG21 ILE 31 1HG2 ILE 31 -6.522 4.677 -1.064 193 HG22 ILE 31 2HG2 ILE 31 -4.995 5.156 -1.844 194 HG23 ILE 31 3HG2 ILE 31 -5.067 4.953 -0.077 195 HD11 ILE 31 1HD1 ILE 31 -3.006 6.640 -1.198 196 HD12 ILE 31 2HD1 ILE 31 -2.977 8.263 -0.466 197 HD13 ILE 31 3HD1 ILE 31 -3.762 6.914 0.390 198 H GLN 32 H GLN 32 -8.189 4.732 -2.275 199 HA GLN 32 HA GLN 32 -10.311 4.810 -0.273 200 HB2 GLN 32 1HB GLN 32 -10.391 4.200 -3.194 201 HB3 GLN 32 2HB GLN 32 -11.324 3.119 -2.178 202 HG2 GLN 32 1HG GLN 32 -11.547 6.132 -1.841 203 HG3 GLN 32 2HG GLN 32 -12.468 5.303 -3.081 204 HE21 GLN 32 1HE2 GLN 32 -13.768 3.428 -2.394 205 HE22 GLN 32 2HE2 GLN 32 -14.577 3.480 -0.863 206 H LEU 33 H LEU 33 -10.828 2.793 0.781 207 HA LEU 33 HA LEU 33 -8.759 0.745 0.378 208 HB2 LEU 33 1HB LEU 33 -10.201 1.306 2.962 209 HB3 LEU 33 2HB LEU 33 -8.797 0.289 2.702 210 HG LEU 33 HG LEU 33 -8.675 3.251 2.158 211 HD11 LEU 33 1HD1 LEU 33 -8.536 3.846 4.315 212 HD12 LEU 33 2HD1 LEU 33 -9.430 2.337 4.614 213 HD13 LEU 33 3HD1 LEU 33 -7.658 2.368 4.777 214 HD21 LEU 33 1HD2 LEU 33 -6.616 2.712 1.528 215 HD22 LEU 33 2HD2 LEU 33 -6.267 2.282 3.219 216 HD23 LEU 33 3HD2 LEU 33 -6.824 1.033 2.080 217 H GLN 34 H GLN 34 -9.521 -1.505 1.069 218 HA GLN 34 HA GLN 34 -12.325 -1.764 0.300 219 HB2 GLN 34 1HB GLN 34 -11.739 -3.911 -0.769 220 HB3 GLN 34 2HB GLN 34 -10.813 -2.596 -1.466 221 HG2 GLN 34 1HG GLN 34 -8.856 -3.570 -0.861 222 HG3 GLN 34 2HG GLN 34 -9.362 -3.658 0.815 223 HE21 GLN 34 1HE2 GLN 34 -10.054 -5.180 -2.331 224 HE22 GLN 34 2HE2 GLN 34 -10.144 -6.816 -1.769 225 H GLY 35 H GLY 35 -13.647 -3.100 1.566 226 HA2 GLY 35 1HA GLY 35 -12.354 -4.661 3.694 227 HA3 GLY 35 2HA GLY 35 -13.514 -3.423 4.133 228 H SER 36 H SER 36 -15.441 -4.357 4.657 229 HA SER 36 HA SER 36 -16.579 -6.136 2.689 230 HB2 SER 36 1HB SER 36 -15.420 -7.556 4.441 231 HB3 SER 36 2HB SER 36 -16.486 -6.866 5.649 232 HG SER 36 HG SER 36 -17.065 -9.016 4.492 233 H VAL 37 H VAL 37 -18.973 -6.325 2.936 234 HA VAL 37 HA VAL 37 -20.245 -3.976 3.314 235 HB VAL 37 HB VAL 37 -22.297 -5.382 3.664 236 HG11 VAL 37 1HG1 VAL 37 -20.935 -4.859 1.417 237 HG12 VAL 37 2HG1 VAL 37 -20.814 -6.635 1.398 238 HG13 VAL 37 3HG1 VAL 37 -22.412 -5.851 1.432 239 HG21 VAL 37 1HG2 VAL 37 -20.201 -7.463 4.047 240 HG22 VAL 37 2HG2 VAL 37 -21.826 -7.322 4.759 241 HG23 VAL 37 3HG2 VAL 37 -21.633 -7.926 3.096 242 H PHE 38 H PHE 38 -19.776 -6.585 5.788 243 HA PHE 38 HA PHE 38 -20.127 -4.508 7.815 244 HB2 PHE 38 1HB PHE 38 -21.490 -7.216 7.438 245 HB3 PHE 38 2HB PHE 38 -21.269 -6.603 9.064 246 HD1 PHE 38 2HD PHE 38 -22.091 -4.090 9.393 247 HD2 PHE 38 1HD PHE 38 -23.460 -6.713 6.351 248 HE1 PHE 38 2HE PHE 38 -24.188 -2.730 9.165 249 HE2 PHE 38 1HE PHE 38 -25.558 -5.353 6.124 250 HZ PHE 38 HZ PHE 38 -25.897 -3.378 7.533 251 H ALA 39 H ALA 39 -19.136 -7.919 7.083 252 HA ALA 39 HA ALA 39 -17.321 -9.049 7.681 253 HB1 ALA 39 1HB ALA 39 -15.383 -7.896 7.983 254 HB2 ALA 39 2HB ALA 39 -16.392 -6.474 7.624 255 HB3 ALA 39 3HB ALA 39 -16.052 -6.920 9.313 256 H THR 40 H THR 40 -16.501 -10.244 9.561 257 HA THR 40 HA THR 40 -18.470 -10.305 11.652 258 HB THR 40 HB THR 40 -15.926 -11.886 11.021 259 HG1 THR 40 1HG THR 40 -17.795 -12.159 9.612 260 HG21 THR 40 1HG2 THR 40 -18.143 -12.754 12.913 261 HG22 THR 40 2HG2 THR 40 -16.503 -13.425 12.743 262 HG23 THR 40 3HG2 THR 40 -16.742 -11.849 13.535 263 H GLU 41 H GLU 41 -14.887 -10.402 12.060 264 HA GLU 41 HA GLU 41 -15.308 -8.586 14.293 265 HB2 GLU 41 1HB GLU 41 -13.799 -11.009 13.980 266 HB3 GLU 41 2HB GLU 41 -12.649 -9.715 14.254 267 HG2 GLU 41 1HG GLU 41 -13.135 -9.931 16.466 268 HG3 GLU 41 2HG GLU 41 -14.650 -9.126 16.107 269 H THR 42 H THR 42 -12.633 -9.353 11.940 270 HA THR 42 HA THR 42 -12.279 -6.444 11.623 271 HB THR 42 HB THR 42 -9.853 -6.910 11.484 272 HG1 THR 42 1HG THR 42 -10.718 -9.643 12.095 273 HG21 THR 42 1HG2 THR 42 -9.854 -8.534 13.756 274 HG22 THR 42 2HG2 THR 42 -9.958 -6.757 13.777 275 HG23 THR 42 3HG2 THR 42 -11.443 -7.736 13.851 276 H LEU 43 H LEU 43 -10.053 -7.614 9.644 277 HA LEU 43 HA LEU 43 -11.961 -8.086 7.462 278 HB2 LEU 43 1HB LEU 43 -11.287 -5.843 7.216 279 HB3 LEU 43 2HB LEU 43 -9.613 -6.210 7.583 280 HG LEU 43 HG LEU 43 -9.347 -7.369 5.459 281 HD11 LEU 43 1HD1 LEU 43 -11.090 -7.514 3.798 282 HD12 LEU 43 2HD1 LEU 43 -11.651 -8.271 5.308 283 HD13 LEU 43 3HD1 LEU 43 -12.228 -6.648 4.859 284 HD21 LEU 43 1HD2 LEU 43 -10.699 -4.749 4.827 285 HD22 LEU 43 2HD2 LEU 43 -9.150 -4.825 5.701 286 HD23 LEU 43 3HD2 LEU 43 -9.279 -5.496 4.057 287 H SER 44 H SER 44 -9.860 -9.569 9.419 288 HA SER 44 HA SER 44 -8.279 -11.092 9.230 289 HB2 SER 44 1HB SER 44 -10.717 -11.951 8.098 290 HB3 SER 44 2HB SER 44 -9.496 -12.544 6.989 291 HG SER 44 HG SER 44 -10.151 -13.463 9.494 292 H SER 45 H SER 45 -7.734 -8.724 7.562 293 HA SER 45 HA SER 45 -5.572 -9.656 6.169 294 HB2 SER 45 1HB SER 45 -6.177 -9.958 3.979 295 HB3 SER 45 2HB SER 45 -7.730 -10.358 4.687 296 HG SER 45 HG SER 45 -8.482 -8.768 3.467 297 HA PRO 46 HA PRO 46 -4.921 -5.354 6.141 298 HB2 PRO 46 1HB PRO 46 -3.072 -4.990 4.162 299 HB3 PRO 46 2HB PRO 46 -2.662 -5.584 5.759 300 HG2 PRO 46 1HG PRO 46 -2.861 -7.083 3.218 301 HG3 PRO 46 2HG PRO 46 -2.059 -7.546 4.706 302 HD2 PRO 46 1HD PRO 46 -4.584 -8.509 3.746 303 HD3 PRO 46 2HD PRO 46 -3.837 -8.883 5.286 304 HA PRO 47 HA PRO 47 -7.468 -3.392 3.371 305 HB2 PRO 47 1HB PRO 47 -6.934 -0.764 3.897 306 HB3 PRO 47 2HB PRO 47 -8.011 -1.738 4.878 307 HG2 PRO 47 1HG PRO 47 -5.255 -0.852 5.474 308 HG3 PRO 47 2HG PRO 47 -6.481 -1.444 6.578 309 HD2 PRO 47 1HD PRO 47 -4.210 -2.896 5.596 310 HD3 PRO 47 2HD PRO 47 -5.498 -3.522 6.606 311 H LEU 48 H LEU 48 -7.233 -3.635 1.244 312 HA LEU 48 HA LEU 48 -4.758 -2.562 0.144 313 HB2 LEU 48 1HB LEU 48 -6.826 -4.192 -1.309 314 HB3 LEU 48 2HB LEU 48 -5.140 -3.948 -1.720 315 HG LEU 48 HG LEU 48 -5.785 -5.300 0.873 316 HD11 LEU 48 1HD1 LEU 48 -6.254 -6.457 -1.857 317 HD12 LEU 48 2HD1 LEU 48 -5.680 -7.495 -0.530 318 HD13 LEU 48 3HD1 LEU 48 -7.219 -6.615 -0.370 319 HD21 LEU 48 1HD2 LEU 48 -3.468 -4.764 0.355 320 HD22 LEU 48 2HD2 LEU 48 -3.718 -6.526 0.369 321 HD23 LEU 48 3HD2 LEU 48 -3.584 -5.658 -1.179 322 H ILE 49 H ILE 49 -4.679 -0.894 -1.359 323 HA ILE 49 HA ILE 49 -6.630 1.047 -1.221 324 HB ILE 49 HB ILE 49 -4.336 0.488 -3.058 325 HG12 ILE 49 1HG1 ILE 49 -4.927 2.755 -1.133 326 HG13 ILE 49 2HG1 ILE 49 -3.962 1.342 -0.756 327 HG21 ILE 49 1HG2 ILE 49 -5.327 1.613 -4.714 328 HG22 ILE 49 2HG2 ILE 49 -6.629 2.213 -3.659 329 HG23 ILE 49 3HG2 ILE 49 -5.063 3.057 -3.707 330 HD11 ILE 49 1HD1 ILE 49 -2.523 1.968 -2.825 331 HD12 ILE 49 2HD1 ILE 49 -3.358 3.539 -2.768 332 HD13 ILE 49 3HD1 ILE 49 -2.374 3.004 -1.385 333 H SER 50 H SER 50 -8.728 0.857 -1.798 334 HA SER 50 HA SER 50 -9.514 -1.023 -3.736 335 HB2 SER 50 1HB SER 50 -11.104 -0.610 -2.037 336 HB3 SER 50 2HB SER 50 -10.905 1.128 -2.129 337 HG SER 50 HG SER 50 -12.326 1.255 -3.758 338 H TYR 51 H TYR 51 -9.385 2.605 -3.616 339 HA TYR 51 HA TYR 51 -9.008 2.627 -6.493 340 HB2 TYR 51 1HB TYR 51 -11.462 2.773 -6.233 341 HB3 TYR 51 2HB TYR 51 -11.307 3.864 -4.870 342 HD1 TYR 51 1HD TYR 51 -10.692 3.631 -8.548 343 HD2 TYR 51 2HD TYR 51 -11.364 6.197 -5.191 344 HE1 TYR 51 1HE TYR 51 -10.923 5.624 -10.109 345 HE2 TYR 51 2HE TYR 51 -11.592 8.182 -6.763 346 HH TYR 51 HH TYR 51 -10.704 7.982 -10.058 347 H ILE 52 H ILE 52 -8.047 4.593 -7.264 348 HA ILE 52 HA ILE 52 -7.038 6.273 -5.075 349 HB ILE 52 HB ILE 52 -5.744 5.425 -7.665 350 HG12 ILE 52 1HG1 ILE 52 -4.496 5.063 -4.977 351 HG13 ILE 52 2HG1 ILE 52 -5.834 4.011 -5.393 352 HG21 ILE 52 1HG2 ILE 52 -3.954 6.884 -7.273 353 HG22 ILE 52 2HG2 ILE 52 -5.406 7.875 -6.997 354 HG23 ILE 52 3HG2 ILE 52 -4.485 7.242 -5.612 355 HD11 ILE 52 1HD1 ILE 52 -4.405 2.746 -6.608 356 HD12 ILE 52 2HD1 ILE 52 -4.188 4.120 -7.718 357 HD13 ILE 52 3HD1 ILE 52 -3.091 3.915 -6.332 358 H GLU 53 H GLU 53 -8.222 8.114 -5.005 359 HA GLU 53 HA GLU 53 -9.793 9.051 -7.004 360 HB2 GLU 53 1HB GLU 53 -8.699 10.072 -4.471 361 HB3 GLU 53 2HB GLU 53 -8.970 11.359 -5.628 362 HG2 GLU 53 1HG GLU 53 -11.023 11.065 -4.366 363 HG3 GLU 53 2HG GLU 53 -11.316 10.486 -5.994 364 H ALA 54 H ALA 54 -9.575 11.081 -8.351 365 HA ALA 54 HA ALA 54 -6.942 11.077 -9.594 366 HB1 ALA 54 1HB ALA 54 -8.367 12.590 -11.240 367 HB2 ALA 54 2HB ALA 54 -8.561 10.821 -11.239 368 HB3 ALA 54 3HB ALA 54 -9.741 11.845 -10.388 369 H ASP 55 H ASP 55 -6.061 13.261 -10.317 370 HA ASP 55 HA ASP 55 -5.208 15.177 -9.766 371 HB2 ASP 55 1HB ASP 55 -7.724 15.773 -10.159 372 HB3 ASP 55 2HB ASP 55 -7.833 15.916 -8.416 373 H SER 56 H SER 56 -5.420 12.870 -7.700 374 HA SER 56 HA SER 56 -5.266 14.432 -5.259 375 HB2 SER 56 1HB SER 56 -5.838 12.507 -4.088 376 HB3 SER 56 2HB SER 56 -6.663 12.210 -5.605 377 HG SER 56 HG SER 56 -4.906 10.864 -6.282 378 HA PRO 57 HA PRO 57 -0.967 13.814 -4.993 379 HB2 PRO 57 1HB PRO 57 -0.507 13.582 -2.309 380 HB3 PRO 57 2HB PRO 57 -0.781 15.119 -3.105 381 HG2 PRO 57 1HG PRO 57 -2.621 13.565 -1.391 382 HG3 PRO 57 2HG PRO 57 -2.703 15.258 -1.838 383 HD2 PRO 57 1HD PRO 57 -4.284 13.120 -2.914 384 HD3 PRO 57 2HD PRO 57 -4.284 14.791 -3.441 385 H ALA 58 H ALA 58 -3.018 11.362 -3.849 386 HA ALA 58 HA ALA 58 -0.933 9.494 -3.311 387 HB1 ALA 58 1HB ALA 58 -3.103 9.331 -2.210 388 HB2 ALA 58 2HB ALA 58 -3.926 9.194 -3.782 389 HB3 ALA 58 3HB ALA 58 -2.851 7.890 -3.224 390 H GLU 59 H GLU 59 -2.607 10.697 -6.155 391 HA GLU 59 HA GLU 59 -1.755 8.391 -7.677 392 HB2 GLU 59 1HB GLU 59 -4.064 9.336 -7.976 393 HB3 GLU 59 2HB GLU 59 -3.361 10.833 -8.554 394 HG2 GLU 59 1HG GLU 59 -3.820 9.671 -10.558 395 HG3 GLU 59 2HG GLU 59 -2.115 9.349 -10.312 396 H ARG 60 H ARG 60 -1.020 11.820 -7.100 397 HA ARG 60 HA ARG 60 0.416 12.355 -9.358 398 HB2 ARG 60 1HB ARG 60 0.491 13.355 -6.505 399 HB3 ARG 60 2HB ARG 60 1.771 13.868 -7.587 400 HG2 ARG 60 1HG ARG 60 -0.507 14.232 -9.156 401 HG3 ARG 60 2HG ARG 60 -1.091 14.641 -7.555 402 HD2 ARG 60 1HD ARG 60 1.387 15.928 -7.625 403 HD3 ARG 60 2HD ARG 60 0.837 16.091 -9.281 404 HE ARG 60 HE ARG 60 -0.906 17.500 -8.560 405 HH11 ARG 60 2HH2 ARG 60 0.573 15.917 -5.787 406 HH12 ARG 60 1HH2 ARG 60 -0.256 16.897 -4.624 407 HH21 ARG 60 2HH1 ARG 60 -2.000 18.793 -7.026 408 HH22 ARG 60 1HH1 ARG 60 -1.730 18.544 -5.334 409 H CYS 61 H CYS 61 1.478 10.921 -6.201 410 HA CYS 61 HA CYS 61 4.175 10.770 -6.784 411 HB2 CYS 61 1HB CYS 61 2.564 10.099 -4.639 412 HB3 CYS 61 2HB CYS 61 3.146 8.534 -5.171 413 HG CYS 61 HG CYS 61 5.622 10.172 -5.596 414 H GLY 62 H GLY 62 1.406 8.551 -7.454 415 HA2 GLY 62 1HA GLY 62 1.169 6.884 -8.945 416 HA3 GLY 62 2HA GLY 62 2.591 7.481 -9.776 417 H VAL 63 H VAL 63 2.643 6.543 -6.327 418 HA VAL 63 HA VAL 63 4.377 4.301 -7.090 419 HB VAL 63 HB VAL 63 5.431 4.570 -4.948 420 HG11 VAL 63 1HG1 VAL 63 5.361 7.428 -5.726 421 HG12 VAL 63 2HG1 VAL 63 6.736 6.308 -5.579 422 HG13 VAL 63 3HG1 VAL 63 5.719 6.282 -7.040 423 HG21 VAL 63 1HG2 VAL 63 3.273 6.631 -4.439 424 HG22 VAL 63 2HG2 VAL 63 3.668 5.180 -3.487 425 HG23 VAL 63 3HG2 VAL 63 4.784 6.567 -3.499 426 H LEU 64 H LEU 64 1.238 5.073 -6.144 427 HA LEU 64 HA LEU 64 0.981 2.589 -4.605 428 HB2 LEU 64 1HB LEU 64 -0.995 4.860 -4.782 429 HB3 LEU 64 2HB LEU 64 -1.027 3.495 -3.684 430 HG LEU 64 HG LEU 64 1.398 5.199 -3.538 431 HD11 LEU 64 1HD1 LEU 64 -1.182 6.426 -3.547 432 HD12 LEU 64 2HD1 LEU 64 -0.529 6.484 -1.891 433 HD13 LEU 64 3HD1 LEU 64 0.411 7.160 -3.243 434 HD21 LEU 64 1HD2 LEU 64 -0.409 3.764 -1.595 435 HD22 LEU 64 2HD2 LEU 64 1.303 3.457 -1.974 436 HD23 LEU 64 3HD2 LEU 64 0.842 4.910 -1.056 437 H GLN 65 H GLN 65 -0.257 0.910 -5.377 438 HA GLN 65 HA GLN 65 -1.473 1.418 -7.980 439 HB2 GLN 65 1HB GLN 65 -0.094 -1.058 -6.875 440 HB3 GLN 65 2HB GLN 65 -1.116 -1.122 -8.297 441 HG2 GLN 65 1HG GLN 65 0.525 -0.258 -9.607 442 HG3 GLN 65 2HG GLN 65 0.737 1.113 -8.537 443 HE21 GLN 65 1HE2 GLN 65 2.986 0.789 -9.236 444 HE22 GLN 65 2HE2 GLN 65 4.006 -0.281 -8.334 445 H ILE 66 H ILE 66 -3.526 0.370 -8.445 446 HA ILE 66 HA ILE 66 -5.288 0.383 -6.289 447 HB ILE 66 HB ILE 66 -5.492 -0.686 -9.099 448 HG12 ILE 66 1HG1 ILE 66 -5.182 1.798 -8.666 449 HG13 ILE 66 2HG1 ILE 66 -6.568 1.334 -9.631 450 HG21 ILE 66 1HG2 ILE 66 -7.237 -1.213 -6.874 451 HG22 ILE 66 2HG2 ILE 66 -8.074 -0.200 -8.075 452 HG23 ILE 66 3HG2 ILE 66 -7.359 -1.755 -8.565 453 HD11 ILE 66 1HD1 ILE 66 -7.413 1.270 -6.891 454 HD12 ILE 66 2HD1 ILE 66 -6.526 2.793 -7.143 455 HD13 ILE 66 3HD1 ILE 66 -7.926 2.397 -8.170 456 H GLY 67 H GLY 67 -5.269 -0.994 -4.596 457 HA2 GLY 67 1HA GLY 67 -5.770 -3.088 -3.707 458 HA3 GLY 67 2HA GLY 67 -5.223 -3.865 -5.180 459 H ASP 68 H ASP 68 -3.294 -1.248 -3.758 460 HA ASP 68 HA ASP 68 -0.983 -2.646 -3.753 461 HB2 ASP 68 1HB ASP 68 -0.135 -0.919 -2.178 462 HB3 ASP 68 2HB ASP 68 -1.099 -0.207 -3.456 463 H ARG 69 H ARG 69 0.320 -2.778 -1.363 464 HA ARG 69 HA ARG 69 -1.463 -4.237 0.408 465 HB2 ARG 69 1HB ARG 69 0.792 -5.663 0.801 466 HB3 ARG 69 2HB ARG 69 -0.354 -6.092 -0.453 467 HG2 ARG 69 1HG ARG 69 1.836 -4.105 -1.095 468 HG3 ARG 69 2HG ARG 69 2.238 -5.809 -1.017 469 HD2 ARG 69 1HD ARG 69 -0.025 -5.948 -2.554 470 HD3 ARG 69 2HD ARG 69 0.531 -4.348 -3.002 471 HE ARG 69 HE ARG 69 1.839 -6.894 -3.635 472 HH11 ARG 69 2HH2 ARG 69 2.299 -3.423 -3.290 473 HH12 ARG 69 1HH2 ARG 69 3.696 -3.377 -4.313 474 HH21 ARG 69 2HH1 ARG 69 3.682 -6.834 -4.985 475 HH22 ARG 69 1HH1 ARG 69 4.488 -5.330 -5.284 476 H VAL 70 H VAL 70 -1.436 -2.148 1.621 477 HA VAL 70 HA VAL 70 1.024 -1.109 2.576 478 HB VAL 70 HB VAL 70 -0.976 0.241 2.235 479 HG11 VAL 70 1HG1 VAL 70 -2.398 -1.810 3.307 480 HG12 VAL 70 2HG1 VAL 70 -2.332 -0.701 4.697 481 HG13 VAL 70 3HG1 VAL 70 -3.011 -0.147 3.148 482 HG21 VAL 70 1HG2 VAL 70 -0.477 1.678 3.920 483 HG22 VAL 70 2HG2 VAL 70 -0.678 0.441 5.184 484 HG23 VAL 70 3HG2 VAL 70 0.826 0.506 4.234 485 H MET 71 H MET 71 2.327 -2.140 3.995 486 HA MET 71 HA MET 71 1.265 -4.204 5.625 487 HB2 MET 71 1HB MET 71 4.018 -2.915 5.913 488 HB3 MET 71 2HB MET 71 3.581 -4.586 6.209 489 HG2 MET 71 1HG MET 71 2.869 -4.251 3.527 490 HG3 MET 71 2HG MET 71 4.304 -3.254 3.660 491 HE1 MET 71 1HE MET 71 2.723 -6.253 5.054 492 HE2 MET 71 2HE MET 71 3.665 -7.626 4.425 493 HE3 MET 71 3HE MET 71 4.121 -6.865 5.969 494 H ALA 72 H ALA 72 1.941 -0.759 5.973 495 HA ALA 72 HA ALA 72 0.734 -0.783 8.571 496 HB1 ALA 72 1HB ALA 72 2.597 0.089 9.809 497 HB2 ALA 72 2HB ALA 72 3.175 -1.375 8.977 498 HB3 ALA 72 3HB ALA 72 3.589 0.234 8.338 499 H ILE 73 H ILE 73 0.231 1.437 9.291 500 HA ILE 73 HA ILE 73 0.547 3.399 7.135 501 HB ILE 73 HB ILE 73 -1.980 2.726 8.642 502 HG12 ILE 73 1HG1 ILE 73 -1.129 2.414 5.759 503 HG13 ILE 73 2HG1 ILE 73 -1.666 1.171 6.871 504 HG21 ILE 73 1HG2 ILE 73 -1.202 5.256 7.901 505 HG22 ILE 73 2HG2 ILE 73 -2.156 4.717 6.498 506 HG23 ILE 73 3HG2 ILE 73 -2.880 4.704 8.124 507 HD11 ILE 73 1HD1 ILE 73 -3.694 1.475 5.852 508 HD12 ILE 73 2HD1 ILE 73 -3.828 2.869 6.950 509 HD13 ILE 73 3HD1 ILE 73 -3.268 3.105 5.277 510 H ASN 74 H ASN 74 2.002 4.796 8.017 511 HA ASN 74 HA ASN 74 2.675 6.439 9.287 512 HB2 ASN 74 1HB ASN 74 -0.061 6.265 10.074 513 HB3 ASN 74 2HB ASN 74 0.840 6.301 11.577 514 HD21 ASN 74 1HD2 ASN 74 -0.511 8.104 9.131 515 HD22 ASN 74 2HD2 ASN 74 0.260 9.632 9.394 516 H GLY 75 H GLY 75 2.727 3.276 9.858 517 HA2 GLY 75 1HA GLY 75 4.540 2.383 11.145 518 HA3 GLY 75 2HA GLY 75 4.171 3.523 12.424 519 H ILE 76 H ILE 76 1.134 2.968 11.705 520 HA ILE 76 HA ILE 76 0.736 1.109 13.776 521 HB ILE 76 HB ILE 76 -0.986 2.493 11.761 522 HG12 ILE 76 1HG1 ILE 76 -0.123 3.568 13.896 523 HG13 ILE 76 2HG1 ILE 76 -1.851 3.650 13.613 524 HG21 ILE 76 1HG2 ILE 76 -1.996 0.378 13.681 525 HG22 ILE 76 2HG2 ILE 76 -2.976 1.402 12.605 526 HG23 ILE 76 3HG2 ILE 76 -1.867 0.192 11.916 527 HD11 ILE 76 1HD1 ILE 76 -1.266 3.006 15.972 528 HD12 ILE 76 2HD1 ILE 76 -2.256 1.779 15.146 529 HD13 ILE 76 3HD1 ILE 76 -0.505 1.525 15.344 530 HA PRO 77 HA PRO 77 1.169 -2.564 11.523 531 HB2 PRO 77 1HB PRO 77 0.243 -4.326 13.395 532 HB3 PRO 77 2HB PRO 77 1.880 -3.701 13.394 533 HG2 PRO 77 1HG PRO 77 -0.379 -2.976 15.157 534 HG3 PRO 77 2HG PRO 77 1.334 -2.697 15.397 535 HD2 PRO 77 1HD PRO 77 -0.622 -0.763 14.582 536 HD3 PRO 77 2HD PRO 77 1.108 -0.514 14.710 537 H THR 78 H THR 78 -0.123 -2.368 9.735 538 HA THR 78 HA THR 78 -2.959 -2.829 10.178 539 HB THR 78 HB THR 78 -2.960 -2.313 7.653 540 HG1 THR 78 1HG THR 78 -0.645 -3.023 7.503 541 HG21 THR 78 1HG2 THR 78 -2.460 -0.528 9.861 542 HG22 THR 78 2HG2 THR 78 -1.421 -0.013 8.510 543 HG23 THR 78 3HG2 THR 78 -3.183 -0.130 8.284 544 H GLU 79 H GLU 79 -3.212 -4.964 10.789 545 HA GLU 79 HA GLU 79 -3.456 -6.779 8.769 546 HB2 GLU 79 1HB GLU 79 -0.728 -6.525 9.460 547 HB3 GLU 79 2HB GLU 79 -1.245 -7.997 10.256 548 HG2 GLU 79 1HG GLU 79 -1.972 -7.477 7.351 549 HG3 GLU 79 2HG GLU 79 -0.402 -8.131 7.772 550 H ASP 80 H ASP 80 -4.912 -5.833 11.020 551 HA ASP 80 HA ASP 80 -5.723 -8.259 12.096 552 HB2 ASP 80 1HB ASP 80 -3.508 -7.175 13.459 553 HB3 ASP 80 2HB ASP 80 -4.875 -6.659 14.427 554 H SER 81 H SER 81 -5.362 -4.688 12.492 555 HA SER 81 HA SER 81 -7.628 -4.249 13.991 556 HB2 SER 81 1HB SER 81 -7.386 -1.973 12.397 557 HB3 SER 81 2HB SER 81 -6.574 -2.246 13.926 558 HG SER 81 HG SER 81 -5.521 -2.160 11.362 559 H THR 82 H THR 82 -9.395 -2.554 12.798 560 HA THR 82 HA THR 82 -10.628 -4.272 10.768 561 HB THR 82 HB THR 82 -12.697 -3.384 11.578 562 HG1 THR 82 1HG THR 82 -10.933 -1.363 12.776 563 HG21 THR 82 1HG2 THR 82 -10.930 -3.091 14.053 564 HG22 THR 82 2HG2 THR 82 -12.646 -3.559 13.991 565 HG23 THR 82 3HG2 THR 82 -11.395 -4.682 13.405 566 H PHE 83 H PHE 83 -11.509 -3.424 8.825 567 HA PHE 83 HA PHE 83 -9.870 -1.806 7.408 568 HB2 PHE 83 1HB PHE 83 -11.553 -3.008 6.218 569 HB3 PHE 83 2HB PHE 83 -12.804 -2.579 7.368 570 HD1 PHE 83 2HD PHE 83 -13.746 -0.235 7.316 571 HD2 PHE 83 1HD PHE 83 -11.232 -1.746 4.249 572 HE1 PHE 83 2HE PHE 83 -14.554 1.567 5.766 573 HE2 PHE 83 1HE PHE 83 -12.040 0.056 2.699 574 HZ PHE 83 HZ PHE 83 -13.692 1.691 3.476 575 H GLU 84 H GLU 84 -12.473 -0.855 9.655 576 HA GLU 84 HA GLU 84 -12.731 1.760 8.766 577 HB2 GLU 84 1HB GLU 84 -13.317 0.341 11.376 578 HB3 GLU 84 2HB GLU 84 -13.525 2.078 11.263 579 HG2 GLU 84 1HG GLU 84 -14.751 1.073 8.919 580 HG3 GLU 84 2HG GLU 84 -15.206 -0.067 10.169 581 H GLU 85 H GLU 85 -10.494 0.182 11.089 582 HA GLU 85 HA GLU 85 -9.476 2.424 12.269 583 HB2 GLU 85 1HB GLU 85 -8.934 -0.323 12.280 584 HB3 GLU 85 2HB GLU 85 -7.433 0.375 11.706 585 HG2 GLU 85 1HG GLU 85 -8.852 1.517 14.141 586 HG3 GLU 85 2HG GLU 85 -7.785 0.135 14.289 587 H ALA 86 H ALA 86 -7.893 0.587 9.549 588 HA ALA 86 HA ALA 86 -5.916 2.281 8.925 589 HB1 ALA 86 1HB ALA 86 -7.257 0.120 7.716 590 HB2 ALA 86 2HB ALA 86 -7.263 1.412 6.492 591 HB3 ALA 86 3HB ALA 86 -5.724 0.857 7.193 592 H ASN 87 H ASN 87 -9.376 2.600 7.914 593 HA ASN 87 HA ASN 87 -9.084 4.754 6.283 594 HB2 ASN 87 1HB ASN 87 -11.210 3.292 7.301 595 HB3 ASN 87 2HB ASN 87 -11.464 4.833 8.096 596 HD21 ASN 87 1HD2 ASN 87 -12.335 3.087 5.537 597 HD22 ASN 87 2HD2 ASN 87 -12.687 4.306 4.359 598 H GLN 88 H GLN 88 -10.018 4.718 9.815 599 HA GLN 88 HA GLN 88 -10.113 7.361 10.265 600 HB2 GLN 88 1HB GLN 88 -9.856 4.963 11.840 601 HB3 GLN 88 2HB GLN 88 -8.785 6.169 12.525 602 HG2 GLN 88 1HG GLN 88 -11.033 6.348 13.535 603 HG3 GLN 88 2HG GLN 88 -10.653 7.803 12.636 604 HE21 GLN 88 1HE2 GLN 88 -11.886 4.544 11.871 605 HE22 GLN 88 2HE2 GLN 88 -13.259 5.043 10.941 606 H LEU 89 H LEU 89 -7.167 5.259 10.294 607 HA LEU 89 HA LEU 89 -5.293 6.960 11.203 608 HB2 LEU 89 1HB LEU 89 -4.943 5.208 8.771 609 HB3 LEU 89 2HB LEU 89 -3.696 5.752 9.875 610 HG LEU 89 HG LEU 89 -5.865 3.712 10.355 611 HD11 LEU 89 1HD1 LEU 89 -3.931 2.303 11.011 612 HD12 LEU 89 2HD1 LEU 89 -3.864 2.855 9.320 613 HD13 LEU 89 3HD1 LEU 89 -2.843 3.635 10.552 614 HD21 LEU 89 1HD2 LEU 89 -4.765 3.633 12.725 615 HD22 LEU 89 2HD2 LEU 89 -4.347 5.327 12.377 616 HD23 LEU 89 3HD2 LEU 89 -6.051 4.812 12.372 617 H LEU 90 H LEU 90 -6.301 6.744 7.714 618 HA LEU 90 HA LEU 90 -4.818 8.805 6.755 619 HB2 LEU 90 1HB LEU 90 -7.527 7.735 6.031 620 HB3 LEU 90 2HB LEU 90 -6.846 9.098 5.165 621 HG LEU 90 HG LEU 90 -5.817 6.265 5.305 622 HD11 LEU 90 1HD1 LEU 90 -7.083 8.005 3.265 623 HD12 LEU 90 2HD1 LEU 90 -5.758 6.957 2.703 624 HD13 LEU 90 3HD1 LEU 90 -7.180 6.244 3.503 625 HD21 LEU 90 1HD2 LEU 90 -3.990 7.398 3.707 626 HD22 LEU 90 2HD2 LEU 90 -4.288 8.765 4.808 627 HD23 LEU 90 3HD2 LEU 90 -3.757 7.196 5.460 628 H ARG 91 H ARG 91 -8.291 9.151 7.784 629 HA ARG 91 HA ARG 91 -8.540 11.765 7.632 630 HB2 ARG 91 1HB ARG 91 -9.452 10.075 10.016 631 HB3 ARG 91 2HB ARG 91 -10.134 11.627 9.574 632 HG2 ARG 91 1HG ARG 91 -10.593 10.556 7.237 633 HG3 ARG 91 2HG ARG 91 -10.266 9.019 8.013 634 HD2 ARG 91 1HD ARG 91 -12.300 8.998 9.047 635 HD3 ARG 91 2HD ARG 91 -12.103 10.636 9.635 636 HE ARG 91 HE ARG 91 -12.637 10.632 6.787 637 HH11 ARG 91 2HH2 ARG 91 -14.197 10.265 9.920 638 HH12 ARG 91 1HH2 ARG 91 -15.748 10.787 9.352 639 HH21 ARG 91 2HH1 ARG 91 -14.683 11.321 6.037 640 HH22 ARG 91 1HH1 ARG 91 -16.026 11.391 7.129 641 H ASP 92 H ASP 92 -7.138 10.014 10.497 642 HA ASP 92 HA ASP 92 -6.639 12.219 12.027 643 HB2 ASP 92 1HB ASP 92 -6.420 9.888 12.826 644 HB3 ASP 92 2HB ASP 92 -5.053 9.623 11.762 645 H SER 93 H SER 93 -4.450 10.427 9.726 646 HA SER 93 HA SER 93 -2.216 11.897 10.000 647 HB2 SER 93 1HB SER 93 -3.335 10.845 7.364 648 HB3 SER 93 2HB SER 93 -1.651 11.208 7.687 649 HG SER 93 HG SER 93 -3.020 8.910 8.202 650 H SER 94 H SER 94 -5.262 12.774 8.393 651 HA SER 94 HA SER 94 -4.386 14.782 6.764 652 HB2 SER 94 1HB SER 94 -6.630 15.360 6.559 653 HB3 SER 94 2HB SER 94 -6.778 13.736 7.200 654 HG SER 94 HG SER 94 -8.117 15.412 8.283 655 H ILE 95 H ILE 95 -4.398 14.579 10.241 656 HA ILE 95 HA ILE 95 -4.685 17.294 10.870 657 HB ILE 95 HB ILE 95 -3.529 14.894 12.240 658 HG12 ILE 95 1HG1 ILE 95 -5.760 16.681 13.191 659 HG13 ILE 95 2HG1 ILE 95 -6.053 15.470 11.959 660 HG21 ILE 95 1HG2 ILE 95 -2.057 16.456 13.121 661 HG22 ILE 95 2HG2 ILE 95 -3.257 17.770 13.078 662 HG23 ILE 95 3HG2 ILE 95 -3.400 16.474 14.290 663 HD11 ILE 95 1HD1 ILE 95 -5.082 15.039 14.808 664 HD12 ILE 95 2HD1 ILE 95 -6.533 14.371 14.023 665 HD13 ILE 95 3HD1 ILE 95 -4.919 13.778 13.562 666 H THR 96 H THR 96 -1.631 15.318 10.876 667 HA THR 96 HA THR 96 0.003 17.622 10.820 668 HB THR 96 HB THR 96 0.711 15.440 11.764 669 HG1 THR 96 1HG THR 96 2.616 16.290 11.019 670 HG21 THR 96 1HG2 THR 96 1.071 14.356 8.964 671 HG22 THR 96 2HG2 THR 96 0.935 13.471 10.502 672 HG23 THR 96 3HG2 THR 96 -0.518 14.161 9.741 673 H SER 97 H SER 97 -1.954 16.216 8.409 674 HA SER 97 HA SER 97 -2.214 16.710 6.307 675 HB2 SER 97 1HB SER 97 -0.594 18.932 7.238 676 HB3 SER 97 2HB SER 97 -0.120 18.524 5.601 677 HG SER 97 HG SER 97 -1.830 19.725 5.084 678 H LYS 98 H LYS 98 -0.201 14.708 7.418 679 HA LYS 98 HA LYS 98 0.998 14.081 4.866 680 HB2 LYS 98 1HB LYS 98 2.567 15.558 6.463 681 HB3 LYS 98 2HB LYS 98 2.901 13.986 7.162 682 HG2 LYS 98 1HG LYS 98 4.021 13.240 5.296 683 HG3 LYS 98 2HG LYS 98 2.905 14.010 4.186 684 HD2 LYS 98 1HD LYS 98 4.610 15.873 5.793 685 HD3 LYS 98 2HD LYS 98 5.468 14.885 4.627 686 HE2 LYS 98 1HE LYS 98 4.150 15.731 2.784 687 HE3 LYS 98 2HE LYS 98 2.969 16.450 3.860 688 HZ1 LYS 98 1HZ LYS 98 4.669 17.957 4.631 689 HZ2 LYS 98 2HZ LYS 98 5.781 17.279 3.644 690 HZ3 LYS 98 3HZ LYS 98 4.504 18.077 3.011 691 H VAL 99 H VAL 99 0.938 11.900 4.504 692 HA VAL 99 HA VAL 99 0.381 10.234 6.861 693 HB VAL 99 HB VAL 99 -1.609 10.656 5.453 694 HG11 VAL 99 1HG1 VAL 99 -1.544 10.589 3.225 695 HG12 VAL 99 2HG1 VAL 99 0.204 10.262 3.318 696 HG13 VAL 99 3HG1 VAL 99 -0.953 8.910 3.254 697 HG21 VAL 99 1HG2 VAL 99 -2.110 8.695 6.421 698 HG22 VAL 99 2HG2 VAL 99 -1.712 7.959 4.850 699 HG23 VAL 99 3HG2 VAL 99 -0.482 8.036 6.135 700 H THR 100 H THR 100 1.380 8.173 6.913 701 HA THR 100 HA THR 100 3.415 7.783 4.816 702 HB THR 100 HB THR 100 3.544 7.717 7.843 703 HG1 THR 100 1HG THR 100 4.860 9.358 7.164 704 HG21 THR 100 1HG2 THR 100 4.779 5.743 6.015 705 HG22 THR 100 2HG2 THR 100 5.985 6.690 6.918 706 HG23 THR 100 3HG2 THR 100 4.746 5.760 7.794 707 H LEU 101 H LEU 101 2.593 6.237 3.517 708 HA LEU 101 HA LEU 101 1.276 3.978 4.820 709 HB2 LEU 101 1HB LEU 101 1.383 4.730 1.897 710 HB3 LEU 101 2HB LEU 101 0.428 3.446 2.612 711 HG LEU 101 HG LEU 101 -0.022 6.190 3.678 712 HD11 LEU 101 1HD1 LEU 101 -1.361 5.466 1.088 713 HD12 LEU 101 2HD1 LEU 101 -1.177 7.054 1.871 714 HD13 LEU 101 3HD1 LEU 101 0.222 6.280 1.089 715 HD21 LEU 101 1HD2 LEU 101 -2.085 4.169 2.824 716 HD22 LEU 101 2HD2 LEU 101 -1.198 4.001 4.359 717 HD23 LEU 101 3HD2 LEU 101 -2.196 5.445 4.060 718 H GLU 102 H GLU 102 2.387 2.140 5.185 719 HA GLU 102 HA GLU 102 4.984 1.926 3.972 720 HB2 GLU 102 1HB GLU 102 4.329 1.455 6.472 721 HB3 GLU 102 2HB GLU 102 3.765 -0.094 5.877 722 HG2 GLU 102 1HG GLU 102 5.886 -0.893 5.650 723 HG3 GLU 102 2HG GLU 102 6.419 0.541 4.795 724 H ILE 103 H ILE 103 4.974 1.148 1.890 725 HA ILE 103 HA ILE 103 3.127 -1.041 1.295 726 HB ILE 103 HB ILE 103 4.694 0.791 -0.526 727 HG12 ILE 103 1HG1 ILE 103 2.849 1.874 0.765 728 HG13 ILE 103 2HG1 ILE 103 2.641 1.916 -0.974 729 HG21 ILE 103 1HG2 ILE 103 4.457 -1.231 -1.702 730 HG22 ILE 103 2HG2 ILE 103 2.807 -1.498 -1.089 731 HG23 ILE 103 3HG2 ILE 103 3.120 -0.202 -2.269 732 HD11 ILE 103 1HD1 ILE 103 1.272 -0.307 -0.636 733 HD12 ILE 103 2HD1 ILE 103 1.182 0.216 1.063 734 HD13 ILE 103 3HD1 ILE 103 0.510 1.248 -0.223 735 H GLU 104 H GLU 104 4.072 -2.739 -0.286 736 HA GLU 104 HA GLU 104 6.865 -3.208 0.367 737 HB2 GLU 104 1HB GLU 104 5.908 -4.668 1.930 738 HB3 GLU 104 2HB GLU 104 4.512 -5.007 0.927 739 HG2 GLU 104 1HG GLU 104 5.692 -6.537 -0.443 740 HG3 GLU 104 2HG GLU 104 7.254 -5.856 -0.035 741 H PHE 105 H PHE 105 8.083 -4.051 -1.339 742 HA PHE 105 HA PHE 105 6.575 -4.932 -3.687 743 HB2 PHE 105 1HB PHE 105 8.480 -3.603 -4.940 744 HB3 PHE 105 2HB PHE 105 7.180 -2.665 -4.233 745 HD1 PHE 105 2HD PHE 105 7.605 -1.839 -1.771 746 HD2 PHE 105 1HD PHE 105 10.669 -3.024 -4.458 747 HE1 PHE 105 2HE PHE 105 9.278 -0.518 -0.446 748 HE2 PHE 105 1HE PHE 105 12.342 -1.703 -3.133 749 HZ PHE 105 HZ PHE 105 11.627 -0.466 -1.143 750 H ASP 106 H ASP 106 8.405 -5.721 -5.415 751 HA ASP 106 HA ASP 106 9.965 -7.610 -3.862 752 HB2 ASP 106 1HB ASP 106 10.214 -8.678 -6.241 753 HB3 ASP 106 2HB ASP 106 8.673 -8.812 -5.417 754 H VAL 107 H VAL 107 12.261 -7.951 -4.444 755 HA VAL 107 HA VAL 107 13.383 -5.757 -6.045 756 HB VAL 107 HB VAL 107 14.635 -7.029 -3.608 757 HG11 VAL 107 1HG1 VAL 107 16.394 -5.593 -3.865 758 HG12 VAL 107 2HG1 VAL 107 15.923 -5.751 -5.574 759 HG13 VAL 107 3HG1 VAL 107 15.401 -4.332 -4.635 760 HG21 VAL 107 1HG2 VAL 107 13.930 -4.299 -3.142 761 HG22 VAL 107 2HG2 VAL 107 12.478 -5.160 -3.706 762 HG23 VAL 107 3HG2 VAL 107 13.371 -5.756 -2.287 763 H ALA 108 H ALA 108 15.249 -6.286 -7.322 764 HA ALA 108 HA ALA 108 15.269 -9.091 -8.060 765 HB1 ALA 108 1HB ALA 108 15.950 -8.344 -10.110 766 HB2 ALA 108 2HB ALA 108 15.279 -6.803 -9.524 767 HB3 ALA 108 3HB ALA 108 17.029 -7.109 -9.419 768 H GLU 109 H GLU 109 16.811 -10.518 -7.416 769 HA GLU 109 HA GLU 109 19.146 -9.341 -6.127 770 HB2 GLU 109 1HB GLU 109 19.288 -11.500 -4.855 771 HB3 GLU 109 2HB GLU 109 17.813 -10.608 -4.539 772 HG2 GLU 109 1HG GLU 109 16.471 -12.107 -5.766 773 HG3 GLU 109 2HG GLU 109 17.805 -12.657 -6.760 774 H SER 110 H SER 110 21.208 -10.665 -6.322 775 HA SER 110 HA SER 110 21.607 -11.255 -9.042 776 HB2 SER 110 1HB SER 110 23.354 -10.251 -7.590 777 HB3 SER 110 2HB SER 110 23.407 -11.710 -6.621 778 HG SER 110 HG SER 110 23.739 -12.476 -9.190 779 H VAL 111 H VAL 111 20.661 -13.099 -9.888 780 HA VAL 111 HA VAL 111 21.499 -15.620 -8.743 781 HB VAL 111 HB VAL 111 19.421 -15.047 -7.546 782 HG11 VAL 111 1HG1 VAL 111 18.262 -14.953 -10.344 783 HG12 VAL 111 2HG1 VAL 111 17.265 -15.172 -8.886 784 HG13 VAL 111 3HG1 VAL 111 18.228 -13.689 -9.091 785 HG21 VAL 111 1HG2 VAL 111 18.665 -17.293 -9.381 786 HG22 VAL 111 2HG2 VAL 111 20.157 -17.435 -8.420 787 HG23 VAL 111 3HG2 VAL 111 18.593 -17.193 -7.605 788 H ILE 112 H ILE 112 20.942 -17.456 -10.267 789 HA ILE 112 HA ILE 112 21.705 -16.757 -12.858 790 HB ILE 112 HB ILE 112 21.214 -19.106 -13.382 791 HG12 ILE 112 1HG1 ILE 112 20.621 -20.258 -10.914 792 HG13 ILE 112 2HG1 ILE 112 19.537 -18.884 -11.001 793 HG21 ILE 112 1HG2 ILE 112 22.684 -20.050 -11.438 794 HG22 ILE 112 2HG2 ILE 112 23.358 -18.855 -12.572 795 HG23 ILE 112 3HG2 ILE 112 22.809 -18.340 -10.959 796 HD11 ILE 112 1HD1 ILE 112 19.835 -20.610 -13.457 797 HD12 ILE 112 2HD1 ILE 112 18.867 -21.222 -12.094 798 HD13 ILE 112 3HD1 ILE 112 18.421 -19.691 -12.887 799 HA PRO 113 HA PRO 113 17.736 -15.439 -14.177 800 HB2 PRO 113 1HB PRO 113 18.557 -14.219 -16.480 801 HB3 PRO 113 2HB PRO 113 18.523 -13.410 -14.926 802 HG2 PRO 113 1HG PRO 113 20.851 -14.440 -16.429 803 HG3 PRO 113 2HG PRO 113 20.818 -13.278 -15.118 804 HD2 PRO 113 1HD PRO 113 21.591 -16.036 -14.949 805 HD3 PRO 113 2HD PRO 113 21.447 -14.904 -13.619 806 H SER 114 H SER 114 16.153 -15.938 -15.789 807 HA SER 114 HA SER 114 16.919 -17.529 -17.948 808 HB2 SER 114 1HB SER 114 17.120 -19.083 -15.811 809 HB3 SER 114 2HB SER 114 15.371 -19.144 -15.911 810 HG SER 114 HG SER 114 17.308 -20.033 -17.852 811 H SER 115 H SER 115 14.261 -17.138 -15.490 812 HA SER 115 HA SER 115 12.241 -17.334 -17.412 813 HB2 SER 115 1HB SER 115 10.770 -16.469 -15.571 814 HB3 SER 115 2HB SER 115 11.773 -17.820 -15.079 815 HG SER 115 HG SER 115 12.762 -15.161 -14.687 816 H GLY 116 H GLY 116 11.451 -15.805 -18.826 817 HA2 GLY 116 1HA GLY 116 10.674 -13.474 -18.977 818 HA3 GLY 116 2HA GLY 116 12.230 -12.991 -18.333 819 H SER 117 H SER 117 13.262 -11.941 -20.000 820 HA SER 117 HA SER 117 14.121 -13.516 -22.172 821 HB2 SER 117 1HB SER 117 13.081 -12.336 -24.005 822 HB3 SER 117 2HB SER 117 11.801 -12.870 -22.934 823 HG SER 117 HG SER 117 11.789 -10.541 -23.756 824 H GLY 118 H GLY 118 16.122 -12.725 -22.821 825 HA2 GLY 118 1HA GLY 118 17.552 -10.901 -21.460 826 HA3 GLY 118 2HA GLY 118 17.812 -11.256 -23.156 827 HA PRO 119 HA PRO 119 15.576 -7.111 -22.490 828 HB2 PRO 119 1HB PRO 119 16.921 -5.540 -20.704 829 HB3 PRO 119 2HB PRO 119 15.474 -6.437 -20.291 830 HG2 PRO 119 1HG PRO 119 18.284 -7.025 -19.586 831 HG3 PRO 119 2HG PRO 119 16.816 -7.639 -18.851 832 HD2 PRO 119 1HD PRO 119 18.541 -9.036 -20.669 833 HD3 PRO 119 2HD PRO 119 17.013 -9.606 -20.025 834 H SER 120 H SER 120 15.971 -6.349 -24.471 835 HA SER 120 HA SER 120 18.532 -6.196 -25.451 836 HB2 SER 120 1HB SER 120 15.879 -5.626 -26.351 837 HB3 SER 120 2HB SER 120 16.836 -4.201 -26.704 838 HG SER 120 HG SER 120 17.126 -5.515 -28.478 839 H SER 121 H SER 121 16.354 -3.481 -24.361 840 HA SER 121 HA SER 121 18.463 -1.622 -24.477 841 HB2 SER 121 1HB SER 121 15.629 -1.603 -23.419 842 HB3 SER 121 2HB SER 121 16.694 -0.264 -23.040 843 HG SER 121 HG SER 121 16.072 -1.216 -25.707 844 H GLY 122 H GLY 122 16.529 -2.943 -21.680 845 HA2 GLY 122 1HA GLY 122 18.077 -1.909 -19.635 846 HA3 GLY 122 2HA GLY 122 17.095 -3.358 -19.546 Start of MODEL 5 1 H1 GLY 1 H GLY 1 15.553 -27.932 6.538 2 HA2 GLY 1 1HA GLY 1 15.376 -28.978 8.878 3 HA3 GLY 1 2HA GLY 1 15.631 -30.480 8.013 4 H SER 2 H SER 2 17.674 -30.892 6.938 5 HA SER 2 HA SER 2 19.860 -30.976 7.078 6 HB2 SER 2 1HB SER 2 19.410 -28.064 6.315 7 HB3 SER 2 2HB SER 2 20.998 -28.804 6.285 8 HG SER 2 HG SER 2 19.429 -28.804 4.270 9 H SER 3 H SER 3 20.262 -31.446 9.301 10 HA SER 3 HA SER 3 20.356 -29.302 11.165 11 HB2 SER 3 1HB SER 3 19.933 -32.012 11.369 12 HB3 SER 3 2HB SER 3 21.606 -31.913 11.881 13 HG SER 3 HG SER 3 20.541 -29.943 13.209 14 H GLY 4 H GLY 4 22.002 -27.851 10.455 15 HA2 GLY 4 1HA GLY 4 24.536 -28.118 11.391 16 HA3 GLY 4 2HA GLY 4 24.629 -28.824 9.790 17 H SER 5 H SER 5 26.189 -26.823 9.689 18 HA SER 5 HA SER 5 24.808 -24.341 9.369 19 HB2 SER 5 1HB SER 5 27.455 -25.134 9.972 20 HB3 SER 5 2HB SER 5 27.570 -24.375 8.396 21 HG SER 5 HG SER 5 26.119 -23.126 10.553 22 H SER 6 H SER 6 23.485 -24.346 7.538 23 HA SER 6 HA SER 6 24.431 -25.575 5.147 24 HB2 SER 6 1HB SER 6 22.229 -24.596 4.227 25 HB3 SER 6 2HB SER 6 22.095 -25.793 5.500 26 HG SER 6 HG SER 6 20.753 -23.801 5.754 27 H GLY 7 H GLY 7 24.528 -24.355 3.031 28 HA2 GLY 7 1HA GLY 7 26.120 -22.001 3.317 29 HA3 GLY 7 2HA GLY 7 25.602 -22.769 1.830 30 H ALA 8 H ALA 8 24.298 -21.534 0.560 31 HA ALA 8 HA ALA 8 22.622 -19.545 1.931 32 HB1 ALA 8 1HB ALA 8 24.525 -18.786 0.384 33 HB2 ALA 8 2HB ALA 8 23.565 -19.463 -0.953 34 HB3 ALA 8 3HB ALA 8 22.906 -18.135 0.032 35 H GLY 9 H GLY 9 20.681 -18.928 0.288 36 HA2 GLY 9 1HA GLY 9 19.477 -21.505 -0.533 37 HA3 GLY 9 2HA GLY 9 18.592 -20.215 0.257 38 H GLN 10 H GLN 10 17.409 -18.917 -1.071 39 HA GLN 10 HA GLN 10 18.462 -17.728 -3.324 40 HB2 GLN 10 1HB GLN 10 17.380 -18.877 -5.160 41 HB3 GLN 10 2HB GLN 10 18.307 -20.061 -4.261 42 HG2 GLN 10 1HG GLN 10 15.990 -20.350 -2.924 43 HG3 GLN 10 2HG GLN 10 15.314 -19.702 -4.406 44 HE21 GLN 10 1HE2 GLN 10 14.370 -21.967 -4.158 45 HE22 GLN 10 2HE2 GLN 10 15.171 -23.249 -5.004 46 H VAL 11 H VAL 11 15.777 -17.857 -4.802 47 HA VAL 11 HA VAL 11 13.777 -16.903 -4.756 48 HB VAL 11 HB VAL 11 13.961 -16.808 -1.744 49 HG11 VAL 11 1HG1 VAL 11 12.041 -15.657 -2.208 50 HG12 VAL 11 2HG1 VAL 11 11.791 -16.476 -3.768 51 HG13 VAL 11 3HG1 VAL 11 11.385 -17.311 -2.249 52 HG21 VAL 11 1HG2 VAL 11 14.470 -19.073 -2.325 53 HG22 VAL 11 2HG2 VAL 11 12.763 -19.026 -1.823 54 HG23 VAL 11 3HG2 VAL 11 13.180 -19.115 -3.551 55 H VAL 12 H VAL 12 12.857 -14.741 -4.677 56 HA VAL 12 HA VAL 12 14.935 -12.760 -4.482 57 HB VAL 12 HB VAL 12 13.243 -12.950 -6.329 58 HG11 VAL 12 1HG1 VAL 12 11.040 -11.706 -5.772 59 HG12 VAL 12 2HG1 VAL 12 11.195 -13.414 -5.295 60 HG13 VAL 12 3HG1 VAL 12 11.404 -12.128 -4.081 61 HG21 VAL 12 1HG2 VAL 12 12.903 -10.225 -5.156 62 HG22 VAL 12 2HG2 VAL 12 14.563 -10.806 -5.430 63 HG23 VAL 12 3HG2 VAL 12 13.416 -10.718 -6.788 64 H HIS 13 H HIS 13 14.469 -10.635 -3.332 65 HA HIS 13 HA HIS 13 13.192 -11.263 -0.772 66 HB2 HIS 13 1HB HIS 13 14.713 -9.668 0.246 67 HB3 HIS 13 2HB HIS 13 15.600 -10.920 -0.601 68 HD1 HIS 13 1HD HIS 13 16.728 -10.219 -2.932 69 HD2 HIS 13 2HD HIS 13 15.186 -7.070 -0.630 70 HE1 HIS 13 1HE HIS 13 17.744 -8.077 -3.878 71 H THR 14 H THR 14 12.287 -9.238 0.372 72 HA THR 14 HA THR 14 11.146 -7.404 -1.628 73 HB THR 14 HB THR 14 9.087 -7.596 0.063 74 HG1 THR 14 1HG THR 14 9.659 -9.141 1.547 75 HG21 THR 14 1HG2 THR 14 8.991 -8.414 -2.313 76 HG22 THR 14 2HG2 THR 14 9.813 -9.911 -1.811 77 HG23 THR 14 3HG2 THR 14 8.182 -9.542 -1.199 78 H GLU 15 H GLU 15 10.903 -5.259 -1.027 79 HA GLU 15 HA GLU 15 11.978 -4.657 1.617 80 HB2 GLU 15 1HB GLU 15 12.719 -3.517 -1.077 81 HB3 GLU 15 2HB GLU 15 12.803 -2.471 0.326 82 HG2 GLU 15 1HG GLU 15 14.008 -4.943 1.109 83 HG3 GLU 15 2HG GLU 15 14.634 -4.583 -0.488 84 H THR 16 H THR 16 11.183 -2.617 2.576 85 HA THR 16 HA THR 16 8.518 -1.955 1.526 86 HB THR 16 HB THR 16 8.536 -0.999 4.071 87 HG1 THR 16 1HG THR 16 10.264 -1.901 5.130 88 HG21 THR 16 1HG2 THR 16 6.947 -2.745 3.447 89 HG22 THR 16 2HG2 THR 16 8.261 -3.923 3.213 90 HG23 THR 16 3HG2 THR 16 7.861 -3.349 4.850 91 H THR 17 H THR 17 7.783 0.301 1.709 92 HA THR 17 HA THR 17 9.990 2.226 1.692 93 HB THR 17 HB THR 17 9.665 1.595 -0.664 94 HG1 THR 17 1HG THR 17 8.097 3.985 -0.015 95 HG21 THR 17 1HG2 THR 17 7.404 0.674 -0.702 96 HG22 THR 17 2HG2 THR 17 6.725 2.186 -0.053 97 HG23 THR 17 3HG2 THR 17 7.385 2.144 -1.706 98 H GLU 18 H GLU 18 9.133 4.531 1.721 99 HA GLU 18 HA GLU 18 6.717 4.513 3.359 100 HB2 GLU 18 1HB GLU 18 9.353 5.879 3.666 101 HB3 GLU 18 2HB GLU 18 7.953 6.862 4.045 102 HG2 GLU 18 1HG GLU 18 7.349 5.564 5.874 103 HG3 GLU 18 2HG GLU 18 7.939 4.078 5.156 104 H VAL 19 H VAL 19 4.983 5.430 2.358 105 HA VAL 19 HA VAL 19 5.533 7.309 0.187 106 HB VAL 19 HB VAL 19 2.916 5.983 0.891 107 HG11 VAL 19 1HG1 VAL 19 2.872 7.943 -0.642 108 HG12 VAL 19 2HG1 VAL 19 3.963 7.071 -1.744 109 HG13 VAL 19 3HG1 VAL 19 2.332 6.436 -1.418 110 HG21 VAL 19 1HG2 VAL 19 5.343 4.783 -0.224 111 HG22 VAL 19 2HG2 VAL 19 3.859 4.013 0.385 112 HG23 VAL 19 3HG2 VAL 19 3.931 4.605 -1.292 113 H VAL 20 H VAL 20 5.605 9.405 0.817 114 HA VAL 20 HA VAL 20 3.892 10.196 3.050 115 HB VAL 20 HB VAL 20 6.419 10.590 2.954 116 HG11 VAL 20 1HG1 VAL 20 7.303 12.328 1.654 117 HG12 VAL 20 2HG1 VAL 20 6.229 11.463 0.529 118 HG13 VAL 20 3HG1 VAL 20 5.695 12.990 1.271 119 HG21 VAL 20 1HG2 VAL 20 4.570 11.760 4.397 120 HG22 VAL 20 2HG2 VAL 20 6.217 12.433 4.347 121 HG23 VAL 20 3HG2 VAL 20 4.925 13.168 3.368 122 H LEU 21 H LEU 21 1.966 11.120 2.605 123 HA LEU 21 HA LEU 21 1.757 12.544 0.042 124 HB2 LEU 21 1HB LEU 21 -0.420 11.014 1.471 125 HB3 LEU 21 2HB LEU 21 -0.564 11.857 -0.058 126 HG LEU 21 HG LEU 21 1.334 9.539 0.357 127 HD11 LEU 21 1HD1 LEU 21 -0.445 8.210 0.531 128 HD12 LEU 21 2HD1 LEU 21 -1.572 9.520 0.104 129 HD13 LEU 21 3HD1 LEU 21 -0.764 8.588 -1.179 130 HD21 LEU 21 1HD2 LEU 21 1.476 9.437 -2.013 131 HD22 LEU 21 2HD2 LEU 21 0.154 10.612 -2.213 132 HD23 LEU 21 3HD2 LEU 21 1.720 11.138 -1.551 133 H THR 22 H THR 22 1.078 14.646 0.114 134 HA THR 22 HA THR 22 0.568 15.715 2.789 135 HB THR 22 HB THR 22 1.028 17.277 0.213 136 HG1 THR 22 1HG THR 22 2.822 15.869 2.055 137 HG21 THR 22 1HG2 THR 22 1.849 18.972 1.645 138 HG22 THR 22 2HG2 THR 22 0.524 18.298 2.624 139 HG23 THR 22 3HG2 THR 22 2.207 17.821 2.955 140 H ALA 23 H ALA 23 -1.511 15.591 3.405 141 HA ALA 23 HA ALA 23 -3.705 15.276 1.896 142 HB1 ALA 23 1HB ALA 23 -4.947 16.280 3.761 143 HB2 ALA 23 2HB ALA 23 -3.605 15.286 4.377 144 HB3 ALA 23 3HB ALA 23 -3.460 17.060 4.352 145 H ASP 24 H ASP 24 -3.909 16.300 -0.083 146 HA ASP 24 HA ASP 24 -3.158 18.818 -0.681 147 HB2 ASP 24 1HB ASP 24 -4.744 16.751 -1.861 148 HB3 ASP 24 2HB ASP 24 -5.694 18.218 -1.991 149 HA PRO 25 HA PRO 25 -6.259 21.447 0.978 150 HB2 PRO 25 1HB PRO 25 -6.824 23.255 -0.992 151 HB3 PRO 25 2HB PRO 25 -5.388 23.346 0.009 152 HG2 PRO 25 1HG PRO 25 -5.633 22.478 -2.806 153 HG3 PRO 25 2HG PRO 25 -4.199 22.977 -1.932 154 HD2 PRO 25 1HD PRO 25 -4.955 20.291 -2.596 155 HD3 PRO 25 2HD PRO 25 -3.583 20.784 -1.624 156 H VAL 26 H VAL 26 -7.072 19.535 -1.662 157 HA VAL 26 HA VAL 26 -9.888 19.846 -0.908 158 HB VAL 26 HB VAL 26 -8.633 19.874 -3.639 159 HG11 VAL 26 1HG1 VAL 26 -10.365 18.063 -3.554 160 HG12 VAL 26 2HG1 VAL 26 -11.563 19.296 -3.095 161 HG13 VAL 26 3HG1 VAL 26 -10.751 19.389 -4.677 162 HG21 VAL 26 1HG2 VAL 26 -9.949 21.838 -3.982 163 HG22 VAL 26 2HG2 VAL 26 -10.894 21.544 -2.502 164 HG23 VAL 26 3HG2 VAL 26 -9.178 22.001 -2.386 165 H THR 27 H THR 27 -7.632 17.810 -2.913 166 HA THR 27 HA THR 27 -9.052 15.453 -1.910 167 HB THR 27 HB THR 27 -7.728 14.369 -3.820 168 HG1 THR 27 1HG THR 27 -6.523 15.878 -5.090 169 HG21 THR 27 1HG2 THR 27 -9.481 14.895 -5.186 170 HG22 THR 27 2HG2 THR 27 -9.980 16.127 -4.003 171 HG23 THR 27 3HG2 THR 27 -8.890 16.567 -5.340 172 H GLY 28 H GLY 28 -8.051 16.008 0.275 173 HA2 GLY 28 1HA GLY 28 -5.629 16.107 1.170 174 HA3 GLY 28 2HA GLY 28 -6.711 14.877 1.790 175 H PHE 29 H PHE 29 -6.594 12.671 0.946 176 HA PHE 29 HA PHE 29 -4.015 12.160 -0.362 177 HB2 PHE 29 1HB PHE 29 -5.697 10.321 1.434 178 HB3 PHE 29 2HB PHE 29 -4.026 10.071 0.967 179 HD1 PHE 29 2HD PHE 29 -2.645 12.482 1.548 180 HD2 PHE 29 1HD PHE 29 -5.865 10.733 3.688 181 HE1 PHE 29 2HE PHE 29 -1.887 13.645 3.639 182 HE2 PHE 29 1HE PHE 29 -5.108 11.896 5.779 183 HZ PHE 29 HZ PHE 29 -3.128 13.339 5.730 184 H GLY 30 H GLY 30 -7.515 11.617 -0.318 185 HA2 GLY 30 1HA GLY 30 -8.898 10.517 -1.710 186 HA3 GLY 30 2HA GLY 30 -7.751 10.938 -2.966 187 H ILE 31 H ILE 31 -8.159 8.555 -0.249 188 HA ILE 31 HA ILE 31 -7.268 6.487 -2.115 189 HB ILE 31 HB ILE 31 -6.298 6.654 0.734 190 HG12 ILE 31 1HG1 ILE 31 -4.739 7.404 -1.754 191 HG13 ILE 31 2HG1 ILE 31 -5.474 8.570 -0.671 192 HG21 ILE 31 1HG2 ILE 31 -5.175 4.727 0.366 193 HG22 ILE 31 2HG2 ILE 31 -6.470 4.471 -0.827 194 HG23 ILE 31 3HG2 ILE 31 -4.886 5.088 -1.353 195 HD11 ILE 31 1HD1 ILE 31 -3.152 8.301 -0.010 196 HD12 ILE 31 2HD1 ILE 31 -4.159 7.532 1.240 197 HD13 ILE 31 3HD1 ILE 31 -3.319 6.529 0.034 198 H GLN 32 H GLN 32 -8.283 4.467 -1.833 199 HA GLN 32 HA GLN 32 -10.342 4.480 0.233 200 HB2 GLN 32 1HB GLN 32 -10.578 4.070 -2.710 201 HB3 GLN 32 2HB GLN 32 -11.458 2.913 -1.731 202 HG2 GLN 32 1HG GLN 32 -11.874 5.533 -0.589 203 HG3 GLN 32 2HG GLN 32 -12.153 5.650 -2.315 204 HE21 GLN 32 1HE2 GLN 32 -14.279 6.109 -0.955 205 HE22 GLN 32 2HE2 GLN 32 -15.397 4.787 -0.898 206 H LEU 33 H LEU 33 -10.586 2.560 1.405 207 HA LEU 33 HA LEU 33 -8.570 0.532 0.815 208 HB2 LEU 33 1HB LEU 33 -10.205 1.046 3.304 209 HB3 LEU 33 2HB LEU 33 -8.996 -0.210 3.122 210 HG LEU 33 HG LEU 33 -8.136 1.698 4.379 211 HD11 LEU 33 1HD1 LEU 33 -6.864 0.371 2.323 212 HD12 LEU 33 2HD1 LEU 33 -6.515 2.081 1.974 213 HD13 LEU 33 3HD1 LEU 33 -6.085 1.389 3.557 214 HD21 LEU 33 1HD2 LEU 33 -7.977 3.890 3.573 215 HD22 LEU 33 2HD2 LEU 33 -8.323 3.401 1.897 216 HD23 LEU 33 3HD2 LEU 33 -9.617 3.369 3.119 217 H GLN 34 H GLN 34 -9.209 -1.790 1.097 218 HA GLN 34 HA GLN 34 -11.986 -2.130 0.267 219 HB2 GLN 34 1HB GLN 34 -11.293 -3.943 -1.210 220 HB3 GLN 34 2HB GLN 34 -10.372 -2.505 -1.604 221 HG2 GLN 34 1HG GLN 34 -8.560 -3.898 -1.447 222 HG3 GLN 34 2HG GLN 34 -8.715 -3.621 0.276 223 HE21 GLN 34 1HE2 GLN 34 -8.580 -5.381 1.418 224 HE22 GLN 34 2HE2 GLN 34 -9.181 -6.954 1.013 225 H GLY 35 H GLY 35 -13.090 -4.028 1.063 226 HA2 GLY 35 1HA GLY 35 -11.876 -5.078 3.524 227 HA3 GLY 35 2HA GLY 35 -13.580 -5.055 3.116 228 H SER 36 H SER 36 -13.890 -7.312 3.457 229 HA SER 36 HA SER 36 -13.210 -8.868 1.189 230 HB2 SER 36 1HB SER 36 -11.121 -9.160 2.444 231 HB3 SER 36 2HB SER 36 -12.004 -9.580 3.898 232 HG SER 36 HG SER 36 -11.075 -11.331 2.292 233 H VAL 37 H VAL 37 -14.000 -11.334 1.762 234 HA VAL 37 HA VAL 37 -16.480 -11.008 3.307 235 HB VAL 37 HB VAL 37 -17.271 -11.200 1.176 236 HG11 VAL 37 1HG1 VAL 37 -15.022 -13.121 0.483 237 HG12 VAL 37 2HG1 VAL 37 -16.254 -12.490 -0.636 238 HG13 VAL 37 3HG1 VAL 37 -15.064 -11.385 0.092 239 HG21 VAL 37 1HG2 VAL 37 -18.145 -13.064 2.550 240 HG22 VAL 37 2HG2 VAL 37 -18.105 -13.460 0.815 241 HG23 VAL 37 3HG2 VAL 37 -16.864 -14.119 1.908 242 H PHE 38 H PHE 38 -13.902 -13.285 2.180 243 HA PHE 38 HA PHE 38 -14.620 -15.043 4.398 244 HB2 PHE 38 1HB PHE 38 -13.180 -15.189 1.734 245 HB3 PHE 38 2HB PHE 38 -12.630 -16.300 2.973 246 HD1 PHE 38 2HD PHE 38 -15.483 -15.348 0.859 247 HD2 PHE 38 1HD PHE 38 -13.974 -18.171 3.645 248 HE1 PHE 38 2HE PHE 38 -17.354 -16.919 0.281 249 HE2 PHE 38 1HE PHE 38 -15.845 -19.742 3.067 250 HZ PHE 38 HZ PHE 38 -17.512 -19.097 1.391 251 H ALA 39 H ALA 39 -13.260 -15.415 6.133 252 HA ALA 39 HA ALA 39 -10.499 -14.855 6.049 253 HB1 ALA 39 1HB ALA 39 -10.416 -12.894 7.478 254 HB2 ALA 39 2HB ALA 39 -11.416 -12.514 6.055 255 HB3 ALA 39 3HB ALA 39 -12.190 -12.869 7.618 256 H THR 40 H THR 40 -10.263 -14.245 8.903 257 HA THR 40 HA THR 40 -11.593 -16.596 10.069 258 HB THR 40 HB THR 40 -8.650 -15.832 9.972 259 HG1 THR 40 1HG THR 40 -9.460 -17.451 8.517 260 HG21 THR 40 1HG2 THR 40 -9.508 -16.276 12.421 261 HG22 THR 40 2HG2 THR 40 -9.792 -17.938 11.851 262 HG23 THR 40 3HG2 THR 40 -8.148 -17.256 11.823 263 H GLU 41 H GLU 41 -9.494 -13.779 10.995 264 HA GLU 41 HA GLU 41 -11.465 -13.307 13.095 265 HB2 GLU 41 1HB GLU 41 -8.931 -14.052 13.601 266 HB3 GLU 41 2HB GLU 41 -8.632 -12.338 13.394 267 HG2 GLU 41 1HG GLU 41 -10.167 -11.750 15.169 268 HG3 GLU 41 2HG GLU 41 -10.841 -13.367 15.221 269 H THR 42 H THR 42 -9.240 -11.929 10.645 270 HA THR 42 HA THR 42 -10.803 -9.441 10.789 271 HB THR 42 HB THR 42 -8.674 -8.201 10.453 272 HG1 THR 42 1HG THR 42 -6.820 -9.438 10.074 273 HG21 THR 42 1HG2 THR 42 -7.363 -9.188 12.552 274 HG22 THR 42 2HG2 THR 42 -8.934 -8.389 12.799 275 HG23 THR 42 3HG2 THR 42 -8.836 -10.165 12.761 276 H LEU 43 H LEU 43 -8.610 -8.716 8.578 277 HA LEU 43 HA LEU 43 -10.308 -9.737 6.442 278 HB2 LEU 43 1HB LEU 43 -8.133 -7.674 6.197 279 HB3 LEU 43 2HB LEU 43 -9.483 -7.971 5.121 280 HG LEU 43 HG LEU 43 -9.780 -6.925 7.948 281 HD11 LEU 43 1HD1 LEU 43 -9.982 -4.721 7.084 282 HD12 LEU 43 2HD1 LEU 43 -8.480 -5.404 6.417 283 HD13 LEU 43 3HD1 LEU 43 -9.938 -5.300 5.402 284 HD21 LEU 43 1HD2 LEU 43 -12.043 -6.458 7.402 285 HD22 LEU 43 2HD2 LEU 43 -11.785 -6.849 5.685 286 HD23 LEU 43 3HD2 LEU 43 -11.729 -8.140 6.910 287 H SER 44 H SER 44 -7.982 -11.113 8.101 288 HA SER 44 HA SER 44 -6.194 -12.332 7.713 289 HB2 SER 44 1HB SER 44 -8.434 -13.304 6.272 290 HB3 SER 44 2HB SER 44 -7.074 -13.511 5.186 291 HG SER 44 HG SER 44 -6.318 -15.098 6.412 292 H SER 45 H SER 45 -5.842 -9.672 6.670 293 HA SER 45 HA SER 45 -3.565 -9.871 5.306 294 HB2 SER 45 1HB SER 45 -5.801 -10.423 3.508 295 HB3 SER 45 2HB SER 45 -4.933 -8.996 2.978 296 HG SER 45 HG SER 45 -3.419 -11.299 3.745 297 HA PRO 46 HA PRO 46 -3.952 -5.550 5.682 298 HB2 PRO 46 1HB PRO 46 -2.293 -4.522 3.769 299 HB3 PRO 46 2HB PRO 46 -1.714 -5.178 5.288 300 HG2 PRO 46 1HG PRO 46 -1.602 -6.378 2.588 301 HG3 PRO 46 2HG PRO 46 -0.677 -6.799 4.016 302 HD2 PRO 46 1HD PRO 46 -2.915 -8.232 2.936 303 HD3 PRO 46 2HD PRO 46 -2.063 -8.587 4.426 304 HA PRO 47 HA PRO 47 -6.865 -3.811 3.138 305 HB2 PRO 47 1HB PRO 47 -6.621 -1.131 3.619 306 HB3 PRO 47 2HB PRO 47 -7.469 -2.225 4.694 307 HG2 PRO 47 1HG PRO 47 -4.804 -0.992 5.030 308 HG3 PRO 47 2HG PRO 47 -5.836 -1.724 6.243 309 HD2 PRO 47 1HD PRO 47 -3.502 -2.886 5.047 310 HD3 PRO 47 2HD PRO 47 -4.599 -3.660 6.173 311 H LEU 48 H LEU 48 -6.527 -4.297 1.035 312 HA LEU 48 HA LEU 48 -4.380 -2.961 -0.307 313 HB2 LEU 48 1HB LEU 48 -6.575 -4.636 -1.516 314 HB3 LEU 48 2HB LEU 48 -5.001 -4.273 -2.195 315 HG LEU 48 HG LEU 48 -5.314 -5.835 0.373 316 HD11 LEU 48 1HD1 LEU 48 -5.587 -6.768 -2.463 317 HD12 LEU 48 2HD1 LEU 48 -4.831 -7.831 -1.252 318 HD13 LEU 48 3HD1 LEU 48 -6.495 -7.247 -1.009 319 HD21 LEU 48 1HD2 LEU 48 -3.105 -4.901 -0.018 320 HD22 LEU 48 2HD2 LEU 48 -3.073 -6.672 -0.199 321 HD23 LEU 48 3HD2 LEU 48 -3.059 -5.629 -1.641 322 H ILE 49 H ILE 49 -4.443 -1.099 -1.478 323 HA ILE 49 HA ILE 49 -6.481 0.697 -1.182 324 HB ILE 49 HB ILE 49 -4.172 0.387 -3.028 325 HG12 ILE 49 1HG1 ILE 49 -5.057 2.563 -1.108 326 HG13 ILE 49 2HG1 ILE 49 -3.894 1.298 -0.762 327 HG21 ILE 49 1HG2 ILE 49 -5.969 1.175 -4.517 328 HG22 ILE 49 2HG2 ILE 49 -6.271 2.539 -3.414 329 HG23 ILE 49 3HG2 ILE 49 -4.711 2.408 -4.260 330 HD11 ILE 49 1HD1 ILE 49 -2.634 2.184 -2.897 331 HD12 ILE 49 2HD1 ILE 49 -3.628 3.642 -2.663 332 HD13 ILE 49 3HD1 ILE 49 -2.516 3.108 -1.380 333 H SER 50 H SER 50 -8.560 0.689 -1.826 334 HA SER 50 HA SER 50 -9.371 -1.174 -3.802 335 HB2 SER 50 1HB SER 50 -11.274 -0.992 -2.604 336 HB3 SER 50 2HB SER 50 -10.591 0.337 -1.690 337 HG SER 50 HG SER 50 -12.390 1.217 -2.653 338 H TYR 51 H TYR 51 -9.138 2.426 -3.511 339 HA TYR 51 HA TYR 51 -8.923 2.594 -6.394 340 HB2 TYR 51 1HB TYR 51 -11.395 2.728 -5.782 341 HB3 TYR 51 2HB TYR 51 -11.032 4.013 -4.647 342 HD1 TYR 51 1HD TYR 51 -10.785 3.171 -8.287 343 HD2 TYR 51 2HD TYR 51 -11.140 6.249 -5.337 344 HE1 TYR 51 1HE TYR 51 -11.132 4.898 -10.120 345 HE2 TYR 51 2HE TYR 51 -11.485 7.966 -7.180 346 HH TYR 51 HH TYR 51 -11.408 6.983 -10.596 347 H ILE 52 H ILE 52 -8.156 4.736 -7.110 348 HA ILE 52 HA ILE 52 -6.996 6.269 -4.890 349 HB ILE 52 HB ILE 52 -5.672 5.560 -7.511 350 HG12 ILE 52 1HG1 ILE 52 -4.886 4.684 -4.721 351 HG13 ILE 52 2HG1 ILE 52 -5.884 3.712 -5.784 352 HG21 ILE 52 1HG2 ILE 52 -3.742 6.744 -6.712 353 HG22 ILE 52 2HG2 ILE 52 -5.144 7.839 -6.653 354 HG23 ILE 52 3HG2 ILE 52 -4.536 7.090 -5.157 355 HD11 ILE 52 1HD1 ILE 52 -2.989 4.116 -5.832 356 HD12 ILE 52 2HD1 ILE 52 -3.970 2.903 -6.689 357 HD13 ILE 52 3HD1 ILE 52 -3.715 4.511 -7.409 358 H GLU 53 H GLU 53 -8.134 8.137 -4.817 359 HA GLU 53 HA GLU 53 -9.674 9.121 -6.817 360 HB2 GLU 53 1HB GLU 53 -9.112 9.844 -4.230 361 HB3 GLU 53 2HB GLU 53 -8.359 11.169 -5.094 362 HG2 GLU 53 1HG GLU 53 -10.912 10.666 -6.336 363 HG3 GLU 53 2HG GLU 53 -11.170 10.716 -4.603 364 H ALA 54 H ALA 54 -9.426 11.010 -8.268 365 HA ALA 54 HA ALA 54 -6.785 10.996 -9.461 366 HB1 ALA 54 1HB ALA 54 -9.565 11.815 -10.255 367 HB2 ALA 54 2HB ALA 54 -8.185 12.559 -11.097 368 HB3 ALA 54 3HB ALA 54 -8.391 10.792 -11.116 369 H ASP 55 H ASP 55 -6.002 13.250 -10.307 370 HA ASP 55 HA ASP 55 -5.026 15.101 -9.700 371 HB2 ASP 55 1HB ASP 55 -7.457 15.805 -10.212 372 HB3 ASP 55 2HB ASP 55 -7.713 15.876 -8.480 373 H SER 56 H SER 56 -5.163 12.863 -7.646 374 HA SER 56 HA SER 56 -5.052 14.473 -5.221 375 HB2 SER 56 1HB SER 56 -5.756 12.624 -3.999 376 HB3 SER 56 2HB SER 56 -6.587 12.337 -5.515 377 HG SER 56 HG SER 56 -5.270 10.661 -5.991 378 HA PRO 57 HA PRO 57 -0.810 13.570 -4.859 379 HB2 PRO 57 1HB PRO 57 -0.408 13.303 -2.169 380 HB3 PRO 57 2HB PRO 57 -0.574 14.856 -2.963 381 HG2 PRO 57 1HG PRO 57 -2.534 13.415 -1.285 382 HG3 PRO 57 2HG PRO 57 -2.504 15.110 -1.726 383 HD2 PRO 57 1HD PRO 57 -4.197 13.078 -2.835 384 HD3 PRO 57 2HD PRO 57 -4.084 14.748 -3.356 385 H ALA 58 H ALA 58 -2.996 11.259 -3.585 386 HA ALA 58 HA ALA 58 -1.047 9.267 -3.084 387 HB1 ALA 58 1HB ALA 58 -4.056 9.251 -3.502 388 HB2 ALA 58 2HB ALA 58 -3.123 7.783 -3.123 389 HB3 ALA 58 3HB ALA 58 -3.161 9.137 -1.968 390 H GLU 59 H GLU 59 -2.638 10.539 -5.951 391 HA GLU 59 HA GLU 59 -1.889 8.181 -7.449 392 HB2 GLU 59 1HB GLU 59 -4.155 9.266 -7.744 393 HB3 GLU 59 2HB GLU 59 -3.355 10.684 -8.392 394 HG2 GLU 59 1HG GLU 59 -3.956 9.422 -10.320 395 HG3 GLU 59 2HG GLU 59 -2.246 9.102 -10.114 396 H ARG 60 H ARG 60 -0.817 11.422 -6.688 397 HA ARG 60 HA ARG 60 0.603 11.927 -9.019 398 HB2 ARG 60 1HB ARG 60 0.559 12.984 -6.211 399 HB3 ARG 60 2HB ARG 60 2.021 13.313 -7.119 400 HG2 ARG 60 1HG ARG 60 -0.106 13.850 -8.926 401 HG3 ARG 60 2HG ARG 60 -0.630 14.520 -7.394 402 HD2 ARG 60 1HD ARG 60 1.618 15.702 -7.210 403 HD3 ARG 60 2HD ARG 60 2.006 15.124 -8.818 404 HE ARG 60 HE ARG 60 -0.563 16.455 -8.821 405 HH11 ARG 60 2HH2 ARG 60 2.897 17.091 -8.732 406 HH12 ARG 60 1HH2 ARG 60 2.756 18.661 -9.450 407 HH21 ARG 60 2HH1 ARG 60 -0.749 18.526 -9.768 408 HH22 ARG 60 1HH1 ARG 60 0.668 19.483 -10.043 409 H CYS 61 H CYS 61 1.461 10.350 -5.882 410 HA CYS 61 HA CYS 61 4.175 10.100 -6.320 411 HB2 CYS 61 1HB CYS 61 2.394 9.369 -4.323 412 HB3 CYS 61 2HB CYS 61 2.979 7.822 -4.903 413 HG CYS 61 HG CYS 61 5.518 9.385 -5.070 414 H GLY 62 H GLY 62 1.361 8.036 -7.259 415 HA2 GLY 62 1HA GLY 62 1.192 6.688 -9.097 416 HA3 GLY 62 2HA GLY 62 2.895 6.911 -9.442 417 H VAL 63 H VAL 63 4.164 6.121 -7.081 418 HA VAL 63 HA VAL 63 4.432 3.456 -7.321 419 HB VAL 63 HB VAL 63 5.480 3.479 -5.183 420 HG11 VAL 63 1HG1 VAL 63 6.359 4.945 -7.156 421 HG12 VAL 63 2HG1 VAL 63 5.910 6.313 -6.109 422 HG13 VAL 63 3HG1 VAL 63 7.097 5.112 -5.545 423 HG21 VAL 63 1HG2 VAL 63 4.010 4.383 -3.639 424 HG22 VAL 63 2HG2 VAL 63 5.218 5.683 -3.782 425 HG23 VAL 63 3HG2 VAL 63 3.664 5.813 -4.641 426 H LEU 64 H LEU 64 1.803 5.222 -5.728 427 HA LEU 64 HA LEU 64 0.816 2.910 -4.362 428 HB2 LEU 64 1HB LEU 64 -0.524 5.558 -4.922 429 HB3 LEU 64 2HB LEU 64 -1.047 4.345 -3.770 430 HG LEU 64 HG LEU 64 1.640 5.716 -3.570 431 HD11 LEU 64 1HD1 LEU 64 0.676 7.607 -2.934 432 HD12 LEU 64 2HD1 LEU 64 -0.936 6.900 -3.198 433 HD13 LEU 64 3HD1 LEU 64 -0.143 6.740 -1.613 434 HD21 LEU 64 1HD2 LEU 64 0.536 3.519 -2.229 435 HD22 LEU 64 2HD2 LEU 64 1.988 4.447 -1.782 436 HD23 LEU 64 3HD2 LEU 64 0.407 4.880 -1.090 437 H GLN 65 H GLN 65 0.325 1.209 -5.709 438 HA GLN 65 HA GLN 65 -1.236 1.834 -8.064 439 HB2 GLN 65 1HB GLN 65 0.210 -0.682 -7.142 440 HB3 GLN 65 2HB GLN 65 -0.832 -0.660 -8.551 441 HG2 GLN 65 1HG GLN 65 0.680 0.518 -9.820 442 HG3 GLN 65 2HG GLN 65 1.144 1.560 -8.490 443 HE21 GLN 65 1HE2 GLN 65 2.227 0.245 -6.619 444 HE22 GLN 65 2HE2 GLN 65 3.536 -0.785 -7.095 445 H ILE 66 H ILE 66 -3.280 0.753 -8.510 446 HA ILE 66 HA ILE 66 -4.967 0.627 -6.303 447 HB ILE 66 HB ILE 66 -5.242 -0.353 -9.141 448 HG12 ILE 66 1HG1 ILE 66 -4.997 2.170 -8.410 449 HG13 ILE 66 2HG1 ILE 66 -6.129 1.686 -9.657 450 HG21 ILE 66 1HG2 ILE 66 -7.037 -0.707 -6.821 451 HG22 ILE 66 2HG2 ILE 66 -7.801 -0.050 -8.289 452 HG23 ILE 66 3HG2 ILE 66 -6.937 -1.605 -8.355 453 HD11 ILE 66 1HD1 ILE 66 -7.998 1.983 -8.286 454 HD12 ILE 66 2HD1 ILE 66 -7.079 1.674 -6.793 455 HD13 ILE 66 3HD1 ILE 66 -6.912 3.234 -7.634 456 H GLY 67 H GLY 67 -5.077 -0.852 -4.710 457 HA2 GLY 67 1HA GLY 67 -5.447 -2.988 -3.905 458 HA3 GLY 67 2HA GLY 67 -4.866 -3.680 -5.406 459 H ASP 68 H ASP 68 -3.024 -1.064 -3.885 460 HA ASP 68 HA ASP 68 -0.666 -2.348 -3.925 461 HB2 ASP 68 1HB ASP 68 0.058 -0.722 -2.145 462 HB3 ASP 68 2HB ASP 68 -0.821 0.034 -3.460 463 H ARG 69 H ARG 69 0.684 -2.782 -1.694 464 HA ARG 69 HA ARG 69 -1.051 -4.398 -0.004 465 HB2 ARG 69 1HB ARG 69 1.240 -5.756 0.293 466 HB3 ARG 69 2HB ARG 69 0.170 -6.091 -1.053 467 HG2 ARG 69 1HG ARG 69 2.345 -3.988 -1.318 468 HG3 ARG 69 2HG ARG 69 2.731 -5.686 -1.519 469 HD2 ARG 69 1HD ARG 69 0.552 -5.583 -3.136 470 HD3 ARG 69 2HD ARG 69 1.037 -3.903 -3.254 471 HE ARG 69 HE ARG 69 2.527 -6.236 -4.265 472 HH11 ARG 69 2HH2 ARG 69 2.644 -2.813 -3.457 473 HH12 ARG 69 1HH2 ARG 69 4.021 -2.493 -4.458 474 HH21 ARG 69 2HH1 ARG 69 4.344 -5.814 -5.585 475 HH22 ARG 69 1HH1 ARG 69 4.994 -4.211 -5.677 476 H VAL 70 H VAL 70 -1.066 -2.233 1.223 477 HA VAL 70 HA VAL 70 1.326 -1.265 2.354 478 HB VAL 70 HB VAL 70 -0.729 0.042 2.009 479 HG11 VAL 70 1HG1 VAL 70 -1.880 -1.443 4.390 480 HG12 VAL 70 2HG1 VAL 70 -2.673 -0.208 3.382 481 HG13 VAL 70 3HG1 VAL 70 -2.300 -1.809 2.699 482 HG21 VAL 70 1HG2 VAL 70 1.059 0.609 3.738 483 HG22 VAL 70 2HG2 VAL 70 -0.533 1.374 3.959 484 HG23 VAL 70 3HG2 VAL 70 -0.068 -0.021 4.963 485 H MET 71 H MET 71 2.554 -2.120 3.946 486 HA MET 71 HA MET 71 1.466 -4.353 5.387 487 HB2 MET 71 1HB MET 71 4.221 -3.135 5.833 488 HB3 MET 71 2HB MET 71 3.753 -4.820 5.938 489 HG2 MET 71 1HG MET 71 3.149 -4.276 3.293 490 HG3 MET 71 2HG MET 71 4.519 -3.213 3.544 491 HE1 MET 71 1HE MET 71 4.345 -7.017 5.469 492 HE2 MET 71 2HE MET 71 3.032 -6.461 4.403 493 HE3 MET 71 3HE MET 71 4.183 -7.692 3.829 494 H ALA 72 H ALA 72 1.966 -0.927 5.822 495 HA ALA 72 HA ALA 72 0.814 -1.057 8.430 496 HB1 ALA 72 1HB ALA 72 3.238 -1.579 8.872 497 HB2 ALA 72 2HB ALA 72 3.653 0.010 8.186 498 HB3 ALA 72 3HB ALA 72 2.663 -0.091 9.661 499 H ILE 73 H ILE 73 -0.084 0.966 9.024 500 HA ILE 73 HA ILE 73 0.199 3.011 6.934 501 HB ILE 73 HB ILE 73 -2.182 2.273 8.637 502 HG12 ILE 73 1HG1 ILE 73 -1.632 2.025 5.667 503 HG13 ILE 73 2HG1 ILE 73 -1.832 0.717 6.816 504 HG21 ILE 73 1HG2 ILE 73 -2.997 4.312 8.342 505 HG22 ILE 73 2HG2 ILE 73 -1.491 4.803 7.529 506 HG23 ILE 73 3HG2 ILE 73 -2.839 4.134 6.578 507 HD11 ILE 73 1HD1 ILE 73 -4.120 2.458 7.060 508 HD12 ILE 73 2HD1 ILE 73 -3.868 2.092 5.336 509 HD13 ILE 73 3HD1 ILE 73 -4.071 0.766 6.507 510 H ASN 74 H ASN 74 1.659 4.476 7.686 511 HA ASN 74 HA ASN 74 2.447 6.095 8.903 512 HB2 ASN 74 1HB ASN 74 -0.290 5.905 9.879 513 HB3 ASN 74 2HB ASN 74 0.762 6.258 11.235 514 HD21 ASN 74 1HD2 ASN 74 -1.039 7.566 8.824 515 HD22 ASN 74 2HD2 ASN 74 -0.315 9.131 8.667 516 H GLY 75 H GLY 75 2.825 3.097 9.439 517 HA2 GLY 75 1HA GLY 75 4.563 2.273 10.814 518 HA3 GLY 75 2HA GLY 75 4.080 3.373 12.089 519 H ILE 76 H ILE 76 1.126 2.799 11.591 520 HA ILE 76 HA ILE 76 0.870 0.739 13.472 521 HB ILE 76 HB ILE 76 -1.001 2.267 11.703 522 HG12 ILE 76 1HG1 ILE 76 -1.770 3.225 13.742 523 HG13 ILE 76 2HG1 ILE 76 -0.951 2.020 14.716 524 HG21 ILE 76 1HG2 ILE 76 -2.451 0.574 11.680 525 HG22 ILE 76 2HG2 ILE 76 -1.508 -0.367 12.860 526 HG23 ILE 76 3HG2 ILE 76 -2.655 0.872 13.423 527 HD11 ILE 76 1HD1 ILE 76 0.459 4.042 12.912 528 HD12 ILE 76 2HD1 ILE 76 0.280 4.192 14.677 529 HD13 ILE 76 3HD1 ILE 76 1.252 2.868 13.991 530 HA PRO 77 HA PRO 77 1.284 -2.630 10.749 531 HB2 PRO 77 1HB PRO 77 0.992 -4.626 12.593 532 HB3 PRO 77 2HB PRO 77 2.518 -3.821 12.285 533 HG2 PRO 77 1HG PRO 77 0.679 -3.497 14.578 534 HG3 PRO 77 2HG PRO 77 2.368 -3.043 14.452 535 HD2 PRO 77 1HD PRO 77 0.103 -1.289 14.302 536 HD3 PRO 77 2HD PRO 77 1.784 -0.854 14.061 537 H THR 78 H THR 78 -0.662 -1.885 9.630 538 HA THR 78 HA THR 78 -3.191 -2.615 10.480 539 HB THR 78 HB THR 78 -2.471 -1.056 8.569 540 HG1 THR 78 1HG THR 78 -4.347 -3.284 8.218 541 HG21 THR 78 1HG2 THR 78 -2.685 -3.471 6.773 542 HG22 THR 78 2HG2 THR 78 -1.877 -1.913 6.474 543 HG23 THR 78 3HG2 THR 78 -1.099 -3.135 7.508 544 H GLU 79 H GLU 79 -3.546 -4.611 11.341 545 HA GLU 79 HA GLU 79 -4.070 -6.669 9.620 546 HB2 GLU 79 1HB GLU 79 -2.206 -8.289 10.409 547 HB3 GLU 79 2HB GLU 79 -1.794 -7.120 9.171 548 HG2 GLU 79 1HG GLU 79 -0.456 -5.856 10.596 549 HG3 GLU 79 2HG GLU 79 -1.409 -6.240 12.016 550 H ASP 80 H ASP 80 -5.506 -5.521 11.624 551 HA ASP 80 HA ASP 80 -6.179 -7.687 13.189 552 HB2 ASP 80 1HB ASP 80 -4.028 -7.025 14.373 553 HB3 ASP 80 2HB ASP 80 -4.753 -5.472 14.736 554 H SER 81 H SER 81 -5.840 -4.066 13.193 555 HA SER 81 HA SER 81 -8.201 -3.538 14.518 556 HB2 SER 81 1HB SER 81 -7.843 -1.366 12.805 557 HB3 SER 81 2HB SER 81 -7.143 -1.540 14.402 558 HG SER 81 HG SER 81 -5.237 -1.548 13.445 559 H THR 82 H THR 82 -9.964 -2.027 13.209 560 HA THR 82 HA THR 82 -11.085 -3.858 11.247 561 HB THR 82 HB THR 82 -13.145 -2.751 11.776 562 HG1 THR 82 1HG THR 82 -11.387 -0.706 12.937 563 HG21 THR 82 1HG2 THR 82 -13.278 -2.682 14.176 564 HG22 THR 82 2HG2 THR 82 -12.005 -3.879 13.837 565 HG23 THR 82 3HG2 THR 82 -11.565 -2.227 14.333 566 H PHE 83 H PHE 83 -12.120 -2.972 9.253 567 HA PHE 83 HA PHE 83 -10.204 -1.735 7.690 568 HB2 PHE 83 1HB PHE 83 -11.933 -3.018 6.622 569 HB3 PHE 83 2HB PHE 83 -13.196 -2.291 7.595 570 HD1 PHE 83 2HD PHE 83 -13.592 0.278 7.174 571 HD2 PHE 83 1HD PHE 83 -11.675 -2.329 4.428 572 HE1 PHE 83 2HE PHE 83 -14.124 1.861 5.300 573 HE2 PHE 83 1HE PHE 83 -12.207 -0.746 2.554 574 HZ PHE 83 HZ PHE 83 -13.425 1.330 3.012 575 H GLU 84 H GLU 84 -12.742 -0.383 9.769 576 HA GLU 84 HA GLU 84 -12.848 2.120 8.538 577 HB2 GLU 84 1HB GLU 84 -13.581 1.093 11.298 578 HB3 GLU 84 2HB GLU 84 -13.743 2.793 10.903 579 HG2 GLU 84 1HG GLU 84 -14.940 0.667 9.090 580 HG3 GLU 84 2HG GLU 84 -15.799 1.203 10.520 581 H GLU 85 H GLU 85 -10.782 0.694 11.102 582 HA GLU 85 HA GLU 85 -9.684 2.923 12.152 583 HB2 GLU 85 1HB GLU 85 -9.200 0.191 12.279 584 HB3 GLU 85 2HB GLU 85 -7.701 0.792 11.599 585 HG2 GLU 85 1HG GLU 85 -8.282 2.641 13.638 586 HG3 GLU 85 2HG GLU 85 -8.773 1.106 14.327 587 H ALA 86 H ALA 86 -8.252 1.026 9.388 588 HA ALA 86 HA ALA 86 -6.196 2.607 8.722 589 HB1 ALA 86 1HB ALA 86 -7.817 0.607 7.476 590 HB2 ALA 86 2HB ALA 86 -7.555 1.906 6.288 591 HB3 ALA 86 3HB ALA 86 -6.161 1.106 7.054 592 H ASN 87 H ASN 87 -9.578 3.051 7.451 593 HA ASN 87 HA ASN 87 -9.183 5.259 6.000 594 HB2 ASN 87 1HB ASN 87 -11.377 3.922 6.546 595 HB3 ASN 87 2HB ASN 87 -11.571 5.033 7.887 596 HD21 ASN 87 1HD2 ASN 87 -12.565 4.449 4.892 597 HD22 ASN 87 2HD2 ASN 87 -12.892 6.039 4.289 598 H GLN 88 H GLN 88 -9.741 5.000 9.573 599 HA GLN 88 HA GLN 88 -9.834 7.736 10.044 600 HB2 GLN 88 1HB GLN 88 -9.675 5.249 11.623 601 HB3 GLN 88 2HB GLN 88 -8.853 6.588 12.400 602 HG2 GLN 88 1HG GLN 88 -10.983 7.019 13.184 603 HG3 GLN 88 2HG GLN 88 -11.092 7.909 11.678 604 HE21 GLN 88 1HE2 GLN 88 -11.445 6.184 9.747 605 HE22 GLN 88 2HE2 GLN 88 -12.858 5.202 9.949 606 H LEU 89 H LEU 89 -7.134 5.342 10.056 607 HA LEU 89 HA LEU 89 -5.148 6.880 11.123 608 HB2 LEU 89 1HB LEU 89 -4.920 4.931 8.825 609 HB3 LEU 89 2HB LEU 89 -3.608 5.478 9.849 610 HG LEU 89 HG LEU 89 -5.824 3.561 10.449 611 HD11 LEU 89 1HD1 LEU 89 -3.821 2.502 9.868 612 HD12 LEU 89 2HD1 LEU 89 -2.832 3.640 10.815 613 HD13 LEU 89 3HD1 LEU 89 -3.851 2.440 11.647 614 HD21 LEU 89 1HD2 LEU 89 -4.486 5.337 12.495 615 HD22 LEU 89 2HD2 LEU 89 -6.224 5.068 12.222 616 HD23 LEU 89 3HD2 LEU 89 -5.219 3.768 12.905 617 H LEU 90 H LEU 90 -6.769 7.167 7.988 618 HA LEU 90 HA LEU 90 -4.754 8.996 7.008 619 HB2 LEU 90 1HB LEU 90 -7.323 7.907 5.864 620 HB3 LEU 90 2HB LEU 90 -6.360 9.129 5.058 621 HG LEU 90 HG LEU 90 -5.639 6.256 5.633 622 HD11 LEU 90 1HD1 LEU 90 -5.018 6.596 3.074 623 HD12 LEU 90 2HD1 LEU 90 -6.677 6.227 3.604 624 HD13 LEU 90 3HD1 LEU 90 -6.219 7.902 3.213 625 HD21 LEU 90 1HD2 LEU 90 -3.577 7.047 6.137 626 HD22 LEU 90 2HD2 LEU 90 -3.435 7.102 4.364 627 HD23 LEU 90 3HD2 LEU 90 -3.825 8.582 5.271 628 H ARG 91 H ARG 91 -8.325 9.107 7.696 629 HA ARG 91 HA ARG 91 -8.804 11.667 7.333 630 HB2 ARG 91 1HB ARG 91 -9.719 9.814 9.565 631 HB3 ARG 91 2HB ARG 91 -10.328 11.455 9.483 632 HG2 ARG 91 1HG ARG 91 -11.465 11.087 7.455 633 HG3 ARG 91 2HG ARG 91 -10.403 9.781 6.970 634 HD2 ARG 91 1HD ARG 91 -12.446 8.699 7.577 635 HD3 ARG 91 2HD ARG 91 -11.383 8.425 8.943 636 HE ARG 91 HE ARG 91 -12.829 9.693 10.261 637 HH11 ARG 91 2HH2 ARG 91 -13.323 10.571 6.890 638 HH12 ARG 91 1HH2 ARG 91 -14.654 11.628 7.227 639 HH21 ARG 91 2HH1 ARG 91 -14.585 11.087 10.707 640 HH22 ARG 91 1HH1 ARG 91 -15.376 11.923 9.413 641 H ASP 92 H ASP 92 -7.569 10.302 10.481 642 HA ASP 92 HA ASP 92 -7.287 12.717 11.745 643 HB2 ASP 92 1HB ASP 92 -6.881 10.086 12.403 644 HB3 ASP 92 2HB ASP 92 -5.216 10.620 12.287 645 H SER 93 H SER 93 -5.007 10.768 9.711 646 HA SER 93 HA SER 93 -2.720 12.140 10.086 647 HB2 SER 93 1HB SER 93 -3.761 10.274 8.188 648 HB3 SER 93 2HB SER 93 -3.007 11.554 7.257 649 HG SER 93 HG SER 93 -1.029 11.189 8.286 650 H SER 94 H SER 94 -5.671 13.200 8.496 651 HA SER 94 HA SER 94 -4.597 15.116 6.815 652 HB2 SER 94 1HB SER 94 -7.049 14.164 7.101 653 HB3 SER 94 2HB SER 94 -7.252 15.500 8.217 654 HG SER 94 HG SER 94 -7.838 15.915 5.904 655 H ILE 95 H ILE 95 -4.614 14.907 10.241 656 HA ILE 95 HA ILE 95 -4.941 17.630 10.889 657 HB ILE 95 HB ILE 95 -3.936 15.176 12.252 658 HG12 ILE 95 1HG1 ILE 95 -6.051 17.218 12.996 659 HG13 ILE 95 2HG1 ILE 95 -6.359 15.740 12.106 660 HG21 ILE 95 1HG2 ILE 95 -2.310 16.512 13.173 661 HG22 ILE 95 2HG2 ILE 95 -3.293 17.991 13.050 662 HG23 ILE 95 3HG2 ILE 95 -3.655 16.784 14.307 663 HD11 ILE 95 1HD1 ILE 95 -6.430 14.546 14.026 664 HD12 ILE 95 2HD1 ILE 95 -4.799 15.104 14.470 665 HD13 ILE 95 3HD1 ILE 95 -6.225 16.064 14.932 666 H THR 96 H THR 96 -1.947 15.568 10.710 667 HA THR 96 HA THR 96 -0.285 17.904 10.735 668 HB THR 96 HB THR 96 0.324 15.698 11.783 669 HG1 THR 96 1HG THR 96 2.029 17.103 11.061 670 HG21 THR 96 1HG2 THR 96 -0.672 14.337 9.761 671 HG22 THR 96 2HG2 THR 96 0.862 14.728 8.947 672 HG23 THR 96 3HG2 THR 96 0.871 13.786 10.457 673 H SER 97 H SER 97 -2.260 16.558 8.372 674 HA SER 97 HA SER 97 -2.441 16.894 6.236 675 HB2 SER 97 1HB SER 97 -0.568 19.074 7.013 676 HB3 SER 97 2HB SER 97 -0.547 18.671 5.308 677 HG SER 97 HG SER 97 -3.141 18.747 6.032 678 H LYS 98 H LYS 98 -0.447 14.941 7.473 679 HA LYS 98 HA LYS 98 0.819 14.228 4.970 680 HB2 LYS 98 1HB LYS 98 2.306 15.656 6.825 681 HB3 LYS 98 2HB LYS 98 2.720 13.993 7.189 682 HG2 LYS 98 1HG LYS 98 3.452 13.570 4.927 683 HG3 LYS 98 2HG LYS 98 2.714 15.043 4.330 684 HD2 LYS 98 1HD LYS 98 4.473 15.888 6.395 685 HD3 LYS 98 2HD LYS 98 5.361 14.656 5.521 686 HE2 LYS 98 1HE LYS 98 5.479 15.911 3.580 687 HE3 LYS 98 2HE LYS 98 3.891 16.617 3.807 688 HZ1 LYS 98 1HZ LYS 98 6.306 17.355 5.312 689 HZ2 LYS 98 2HZ LYS 98 5.617 18.234 4.120 690 HZ3 LYS 98 3HZ LYS 98 4.826 18.010 5.531 691 H VAL 99 H VAL 99 1.065 11.989 4.739 692 HA VAL 99 HA VAL 99 0.455 10.368 7.084 693 HB VAL 99 HB VAL 99 -1.674 10.857 5.932 694 HG11 VAL 99 1HG1 VAL 99 -1.057 9.116 3.623 695 HG12 VAL 99 2HG1 VAL 99 -2.035 10.600 3.717 696 HG13 VAL 99 3HG1 VAL 99 -0.262 10.708 3.601 697 HG21 VAL 99 1HG2 VAL 99 -2.333 8.863 6.677 698 HG22 VAL 99 2HG2 VAL 99 -1.614 8.060 5.260 699 HG23 VAL 99 3HG2 VAL 99 -0.632 8.340 6.718 700 H THR 100 H THR 100 1.472 8.341 7.059 701 HA THR 100 HA THR 100 3.233 7.908 4.734 702 HB THR 100 HB THR 100 3.665 7.301 7.708 703 HG1 THR 100 1HG THR 100 4.648 9.290 7.587 704 HG21 THR 100 1HG2 THR 100 5.474 6.060 7.073 705 HG22 THR 100 2HG2 THR 100 4.928 6.182 5.384 706 HG23 THR 100 3HG2 THR 100 6.048 7.396 6.046 707 H LEU 101 H LEU 101 2.998 6.080 3.601 708 HA LEU 101 HA LEU 101 1.382 3.980 4.874 709 HB2 LEU 101 1HB LEU 101 1.468 4.903 2.002 710 HB3 LEU 101 2HB LEU 101 0.721 3.404 2.516 711 HG LEU 101 HG LEU 101 -0.101 6.116 3.581 712 HD11 LEU 101 1HD1 LEU 101 -2.150 5.549 2.002 713 HD12 LEU 101 2HD1 LEU 101 -0.719 6.423 1.405 714 HD13 LEU 101 3HD1 LEU 101 -0.895 4.681 1.085 715 HD21 LEU 101 1HD2 LEU 101 -0.596 3.744 4.713 716 HD22 LEU 101 2HD2 LEU 101 -1.766 5.086 4.727 717 HD23 LEU 101 3HD2 LEU 101 -1.933 3.772 3.538 718 H GLU 102 H GLU 102 2.472 2.141 5.293 719 HA GLU 102 HA GLU 102 5.084 1.867 4.157 720 HB2 GLU 102 1HB GLU 102 4.760 1.377 6.535 721 HB3 GLU 102 2HB GLU 102 3.527 0.187 6.169 722 HG2 GLU 102 1HG GLU 102 5.143 -1.280 5.087 723 HG3 GLU 102 2HG GLU 102 6.384 -0.043 5.126 724 H ILE 103 H ILE 103 5.177 1.125 2.066 725 HA ILE 103 HA ILE 103 3.349 -1.055 1.360 726 HB ILE 103 HB ILE 103 4.851 0.899 -0.385 727 HG12 ILE 103 1HG1 ILE 103 3.013 1.936 0.875 728 HG13 ILE 103 2HG1 ILE 103 2.690 1.892 -0.847 729 HG21 ILE 103 1HG2 ILE 103 4.691 -1.093 -1.631 730 HG22 ILE 103 2HG2 ILE 103 3.043 -1.427 -1.048 731 HG23 ILE 103 3HG2 ILE 103 3.332 -0.081 -2.176 732 HD11 ILE 103 1HD1 ILE 103 0.711 0.908 -0.336 733 HD12 ILE 103 2HD1 ILE 103 1.644 -0.548 0.086 734 HD13 ILE 103 3HD1 ILE 103 1.214 0.630 1.349 735 H GLU 104 H GLU 104 4.355 -2.656 -0.286 736 HA GLU 104 HA GLU 104 7.182 -2.992 0.158 737 HB2 GLU 104 1HB GLU 104 6.542 -4.330 1.972 738 HB3 GLU 104 2HB GLU 104 5.052 -4.848 1.209 739 HG2 GLU 104 1HG GLU 104 6.130 -6.461 -0.133 740 HG3 GLU 104 2HG GLU 104 7.676 -5.638 -0.067 741 H PHE 105 H PHE 105 8.172 -3.686 -1.708 742 HA PHE 105 HA PHE 105 6.442 -4.979 -3.693 743 HB2 PHE 105 1HB PHE 105 7.885 -3.637 -5.360 744 HB3 PHE 105 2HB PHE 105 6.820 -2.652 -4.376 745 HD1 PHE 105 2HD PHE 105 7.845 -1.623 -2.230 746 HD2 PHE 105 1HD PHE 105 10.164 -3.166 -5.431 747 HE1 PHE 105 2HE PHE 105 9.811 -0.267 -1.459 748 HE2 PHE 105 1HE PHE 105 12.130 -1.810 -4.660 749 HZ PHE 105 HZ PHE 105 11.931 -0.377 -2.684 750 H ASP 106 H ASP 106 8.023 -5.851 -5.583 751 HA ASP 106 HA ASP 106 9.855 -7.549 -4.152 752 HB2 ASP 106 1HB ASP 106 10.015 -8.630 -6.522 753 HB3 ASP 106 2HB ASP 106 8.515 -8.805 -5.632 754 H VAL 107 H VAL 107 12.137 -7.660 -4.701 755 HA VAL 107 HA VAL 107 13.059 -5.388 -6.319 756 HB VAL 107 HB VAL 107 14.294 -6.843 -3.978 757 HG11 VAL 107 1HG1 VAL 107 16.264 -5.517 -4.215 758 HG12 VAL 107 2HG1 VAL 107 15.949 -6.259 -5.802 759 HG13 VAL 107 3HG1 VAL 107 15.539 -4.550 -5.521 760 HG21 VAL 107 1HG2 VAL 107 13.504 -5.188 -2.704 761 HG22 VAL 107 2HG2 VAL 107 14.156 -3.950 -3.804 762 HG23 VAL 107 3HG2 VAL 107 12.547 -4.649 -4.105 763 H ALA 108 H ALA 108 14.804 -5.736 -7.813 764 HA ALA 108 HA ALA 108 14.700 -8.346 -8.990 765 HB1 ALA 108 1HB ALA 108 15.197 -5.696 -9.826 766 HB2 ALA 108 2HB ALA 108 16.730 -6.568 -10.071 767 HB3 ALA 108 3HB ALA 108 15.235 -7.167 -10.828 768 H GLU 109 H GLU 109 16.322 -9.916 -9.040 769 HA GLU 109 HA GLU 109 18.439 -9.435 -7.105 770 HB2 GLU 109 1HB GLU 109 16.824 -11.810 -7.894 771 HB3 GLU 109 2HB GLU 109 18.521 -12.140 -7.606 772 HG2 GLU 109 1HG GLU 109 17.226 -10.376 -5.576 773 HG3 GLU 109 2HG GLU 109 16.606 -12.014 -5.628 774 H SER 110 H SER 110 20.618 -10.441 -7.607 775 HA SER 110 HA SER 110 21.506 -9.527 -10.051 776 HB2 SER 110 1HB SER 110 22.785 -11.541 -8.149 777 HB3 SER 110 2HB SER 110 23.630 -10.745 -9.462 778 HG SER 110 HG SER 110 23.602 -9.819 -7.092 779 H VAL 111 H VAL 111 20.665 -10.382 -11.951 780 HA VAL 111 HA VAL 111 20.021 -13.139 -12.180 781 HB VAL 111 HB VAL 111 19.573 -12.549 -14.524 782 HG11 VAL 111 1HG1 VAL 111 17.587 -11.952 -13.706 783 HG12 VAL 111 2HG1 VAL 111 18.336 -11.424 -12.180 784 HG13 VAL 111 3HG1 VAL 111 18.185 -10.283 -13.539 785 HG21 VAL 111 1HG2 VAL 111 21.528 -10.740 -14.393 786 HG22 VAL 111 2HG2 VAL 111 20.172 -10.584 -15.535 787 HG23 VAL 111 3HG2 VAL 111 20.163 -9.663 -14.012 788 H ILE 112 H ILE 112 21.088 -14.775 -13.390 789 HA ILE 112 HA ILE 112 23.805 -14.902 -13.117 790 HB ILE 112 HB ILE 112 21.934 -16.308 -15.017 791 HG12 ILE 112 1HG1 ILE 112 23.236 -17.453 -12.552 792 HG13 ILE 112 2HG1 ILE 112 21.773 -16.496 -12.426 793 HG21 ILE 112 1HG2 ILE 112 23.609 -17.837 -15.604 794 HG22 ILE 112 2HG2 ILE 112 24.382 -16.242 -15.762 795 HG23 ILE 112 3HG2 ILE 112 24.715 -17.255 -14.337 796 HD11 ILE 112 1HD1 ILE 112 21.693 -19.156 -12.804 797 HD12 ILE 112 2HD1 ILE 112 20.464 -18.079 -13.510 798 HD13 ILE 112 3HD1 ILE 112 21.815 -18.664 -14.511 799 HA PRO 113 HA PRO 113 25.329 -12.373 -16.277 800 HB2 PRO 113 1HB PRO 113 27.947 -13.158 -16.267 801 HB3 PRO 113 2HB PRO 113 27.288 -12.006 -15.123 802 HG2 PRO 113 1HG PRO 113 28.008 -14.840 -14.693 803 HG3 PRO 113 2HG PRO 113 27.760 -13.578 -13.503 804 HD2 PRO 113 1HD PRO 113 25.937 -15.690 -14.170 805 HD3 PRO 113 2HD PRO 113 25.643 -14.361 -13.065 806 H SER 114 H SER 114 26.388 -15.733 -16.455 807 HA SER 114 HA SER 114 26.935 -15.651 -19.156 808 HB2 SER 114 1HB SER 114 27.674 -17.463 -17.640 809 HB3 SER 114 2HB SER 114 26.016 -17.988 -17.424 810 HG SER 114 HG SER 114 26.057 -19.014 -19.314 811 H SER 115 H SER 115 25.422 -14.868 -20.614 812 HA SER 115 HA SER 115 23.077 -16.444 -20.958 813 HB2 SER 115 1HB SER 115 22.751 -14.303 -19.266 814 HB3 SER 115 2HB SER 115 22.396 -13.545 -20.805 815 HG SER 115 HG SER 115 21.060 -15.759 -19.541 816 H GLY 116 H GLY 116 22.106 -16.079 -23.091 817 HA2 GLY 116 1HA GLY 116 23.419 -14.110 -24.808 818 HA3 GLY 116 2HA GLY 116 23.630 -15.801 -25.216 819 H SER 117 H SER 117 21.966 -13.272 -26.257 820 HA SER 117 HA SER 117 20.024 -14.768 -27.510 821 HB2 SER 117 1HB SER 117 19.219 -14.378 -24.918 822 HB3 SER 117 2HB SER 117 18.544 -12.944 -25.666 823 HG SER 117 HG SER 117 17.184 -14.980 -25.639 824 H GLY 118 H GLY 118 18.620 -13.359 -28.917 825 HA2 GLY 118 1HA GLY 118 19.520 -10.553 -29.010 826 HA3 GLY 118 2HA GLY 118 19.635 -11.567 -30.435 827 HA PRO 119 HA PRO 119 15.031 -10.890 -29.443 828 HB2 PRO 119 1HB PRO 119 14.357 -8.950 -27.640 829 HB3 PRO 119 2HB PRO 119 14.457 -10.649 -27.226 830 HG2 PRO 119 1HG PRO 119 16.348 -8.471 -26.581 831 HG3 PRO 119 2HG PRO 119 16.200 -10.052 -25.839 832 HD2 PRO 119 1HD PRO 119 18.200 -9.219 -27.719 833 HD3 PRO 119 2HD PRO 119 17.982 -10.830 -27.065 834 H SER 120 H SER 120 14.042 -10.035 -31.156 835 HA SER 120 HA SER 120 14.957 -7.334 -31.767 836 HB2 SER 120 1HB SER 120 14.306 -7.909 -34.153 837 HB3 SER 120 2HB SER 120 15.663 -8.819 -33.521 838 HG SER 120 HG SER 120 14.364 -10.646 -33.253 839 H SER 121 H SER 121 13.417 -5.732 -31.665 840 HA SER 121 HA SER 121 10.753 -6.268 -32.438 841 HB2 SER 121 1HB SER 121 9.796 -5.514 -30.164 842 HB3 SER 121 2HB SER 121 10.384 -7.162 -30.272 843 HG SER 121 HG SER 121 12.529 -6.049 -29.492 844 H GLY 122 H GLY 122 10.981 -4.497 -33.855 845 HA2 GLY 122 1HA GLY 122 11.380 -2.359 -34.513 846 HA3 GLY 122 2HA GLY 122 10.267 -2.008 -33.206 Start of MODEL 6 1 H1 GLY 1 H GLY 1 25.482 -22.651 24.335 2 HA2 GLY 1 1HA GLY 1 25.689 -25.119 22.727 3 HA3 GLY 1 2HA GLY 1 24.178 -24.240 22.850 4 H SER 2 H SER 2 25.116 -24.531 20.328 5 HA SER 2 HA SER 2 25.613 -21.834 19.611 6 HB2 SER 2 1HB SER 2 27.718 -22.108 18.475 7 HB3 SER 2 2HB SER 2 27.936 -22.724 20.101 8 HG SER 2 HG SER 2 27.459 -24.908 19.167 9 H SER 3 H SER 3 24.331 -21.509 17.829 10 HA SER 3 HA SER 3 23.374 -23.835 16.460 11 HB2 SER 3 1HB SER 3 21.967 -21.793 17.184 12 HB3 SER 3 2HB SER 3 22.705 -20.930 15.850 13 HG SER 3 HG SER 3 20.566 -22.074 15.465 14 H GLY 4 H GLY 4 23.689 -24.289 14.211 15 HA2 GLY 4 1HA GLY 4 26.191 -23.525 13.143 16 HA3 GLY 4 2HA GLY 4 24.924 -24.428 12.336 17 H SER 5 H SER 5 25.621 -23.140 10.397 18 HA SER 5 HA SER 5 24.036 -20.726 10.316 19 HB2 SER 5 1HB SER 5 27.010 -20.892 9.849 20 HB3 SER 5 2HB SER 5 26.078 -19.798 8.845 21 HG SER 5 HG SER 5 25.772 -19.774 11.708 22 H SER 6 H SER 6 23.857 -19.955 7.901 23 HA SER 6 HA SER 6 24.471 -21.897 5.944 24 HB2 SER 6 1HB SER 6 22.012 -22.244 5.287 25 HB3 SER 6 2HB SER 6 22.574 -23.118 6.698 26 HG SER 6 HG SER 6 21.157 -20.590 6.770 27 H GLY 7 H GLY 7 24.202 -21.019 3.799 28 HA2 GLY 7 1HA GLY 7 23.436 -18.161 3.789 29 HA3 GLY 7 2HA GLY 7 24.694 -18.871 2.797 30 H ALA 8 H ALA 8 21.245 -19.749 3.576 31 HA ALA 8 HA ALA 8 20.808 -19.934 0.673 32 HB1 ALA 8 1HB ALA 8 18.851 -21.466 1.986 33 HB2 ALA 8 2HB ALA 8 20.265 -22.077 1.094 34 HB3 ALA 8 3HB ALA 8 20.365 -21.821 2.852 35 H GLY 9 H GLY 9 18.735 -19.196 -0.115 36 HA2 GLY 9 1HA GLY 9 16.880 -17.946 1.693 37 HA3 GLY 9 2HA GLY 9 17.857 -16.791 0.809 38 H GLN 10 H GLN 10 16.049 -19.886 0.163 39 HA GLN 10 HA GLN 10 15.721 -19.562 -2.498 40 HB2 GLN 10 1HB GLN 10 14.264 -20.990 -0.330 41 HB3 GLN 10 2HB GLN 10 13.331 -20.734 -1.791 42 HG2 GLN 10 1HG GLN 10 15.705 -21.564 -2.889 43 HG3 GLN 10 2HG GLN 10 15.764 -22.422 -1.362 44 HE21 GLN 10 1HE2 GLN 10 15.241 -23.113 -4.294 45 HE22 GLN 10 2HE2 GLN 10 13.842 -24.134 -4.270 46 H VAL 11 H VAL 11 13.238 -19.308 -3.454 47 HA VAL 11 HA VAL 11 11.816 -17.760 -4.157 48 HB VAL 11 HB VAL 11 10.790 -18.582 -2.042 49 HG11 VAL 11 1HG1 VAL 11 10.724 -16.758 -0.185 50 HG12 VAL 11 2HG1 VAL 11 12.133 -17.841 -0.287 51 HG13 VAL 11 3HG1 VAL 11 12.237 -16.184 -0.928 52 HG21 VAL 11 1HG2 VAL 11 9.832 -16.793 -3.724 53 HG22 VAL 11 2HG2 VAL 11 8.985 -17.153 -2.200 54 HG23 VAL 11 3HG2 VAL 11 10.004 -15.699 -2.331 55 H VAL 12 H VAL 12 11.147 -15.270 -3.924 56 HA VAL 12 HA VAL 12 13.691 -13.854 -3.975 57 HB VAL 12 HB VAL 12 12.101 -13.838 -5.903 58 HG11 VAL 12 1HG1 VAL 12 10.182 -12.127 -5.615 59 HG12 VAL 12 2HG1 VAL 12 9.950 -13.774 -4.978 60 HG13 VAL 12 3HG1 VAL 12 10.359 -12.441 -3.872 61 HG21 VAL 12 1HG2 VAL 12 12.698 -11.147 -4.627 62 HG22 VAL 12 2HG2 VAL 12 13.812 -12.104 -5.633 63 HG23 VAL 12 3HG2 VAL 12 12.327 -11.428 -6.345 64 H HIS 13 H HIS 13 13.738 -11.597 -3.040 65 HA HIS 13 HA HIS 13 12.406 -11.692 -0.451 66 HB2 HIS 13 1HB HIS 13 14.092 -10.052 0.243 67 HB3 HIS 13 2HB HIS 13 14.813 -11.527 -0.370 68 HD1 HIS 13 1HD HIS 13 15.907 -11.394 -2.820 69 HD2 HIS 13 2HD HIS 13 14.800 -7.727 -1.110 70 HE1 HIS 13 1HE HIS 13 17.099 -9.586 -4.170 71 H THR 14 H THR 14 11.710 -9.476 0.451 72 HA THR 14 HA THR 14 10.671 -7.775 -1.709 73 HB THR 14 HB THR 14 8.586 -7.680 -0.045 74 HG1 THR 14 1HG THR 14 8.735 -9.308 1.458 75 HG21 THR 14 1HG2 THR 14 7.579 -9.699 -1.135 76 HG22 THR 14 2HG2 THR 14 8.415 -8.676 -2.329 77 HG23 THR 14 3HG2 THR 14 9.188 -10.166 -1.735 78 H GLU 15 H GLU 15 10.569 -5.575 -1.282 79 HA GLU 15 HA GLU 15 11.761 -4.851 1.281 80 HB2 GLU 15 1HB GLU 15 12.273 -3.773 -1.507 81 HB3 GLU 15 2HB GLU 15 12.606 -2.785 -0.099 82 HG2 GLU 15 1HG GLU 15 13.927 -4.886 0.785 83 HG3 GLU 15 2HG GLU 15 13.876 -5.431 -0.880 84 H THR 16 H THR 16 11.084 -2.731 2.168 85 HA THR 16 HA THR 16 8.385 -2.028 1.223 86 HB THR 16 HB THR 16 8.578 -1.055 3.788 87 HG1 THR 16 1HG THR 16 10.053 -3.579 3.602 88 HG21 THR 16 1HG2 THR 16 7.704 -3.374 4.536 89 HG22 THR 16 2HG2 THR 16 6.772 -2.578 3.245 90 HG23 THR 16 3HG2 THR 16 7.912 -3.885 2.844 91 H THR 17 H THR 17 7.751 0.186 1.145 92 HA THR 17 HA THR 17 10.023 2.055 1.151 93 HB THR 17 HB THR 17 9.503 1.313 -1.184 94 HG1 THR 17 1HG THR 17 8.398 3.940 -0.493 95 HG21 THR 17 1HG2 THR 17 6.734 2.392 -0.455 96 HG22 THR 17 2HG2 THR 17 7.293 2.199 -2.134 97 HG23 THR 17 3HG2 THR 17 7.122 0.773 -1.083 98 H GLU 18 H GLU 18 9.498 4.269 1.588 99 HA GLU 18 HA GLU 18 7.038 4.413 3.134 100 HB2 GLU 18 1HB GLU 18 8.836 4.917 4.574 101 HB3 GLU 18 2HB GLU 18 9.722 5.789 3.339 102 HG2 GLU 18 1HG GLU 18 8.097 7.643 3.412 103 HG3 GLU 18 2HG GLU 18 7.078 6.753 4.526 104 H VAL 19 H VAL 19 5.374 5.698 2.434 105 HA VAL 19 HA VAL 19 6.027 7.616 0.304 106 HB VAL 19 HB VAL 19 3.363 6.279 0.742 107 HG11 VAL 19 1HG1 VAL 19 4.493 8.192 -1.173 108 HG12 VAL 19 2HG1 VAL 19 3.697 6.804 -1.952 109 HG13 VAL 19 3HG1 VAL 19 2.795 7.813 -0.795 110 HG21 VAL 19 1HG2 VAL 19 4.200 4.329 0.052 111 HG22 VAL 19 2HG2 VAL 19 4.600 5.102 -1.501 112 HG23 VAL 19 3HG2 VAL 19 5.808 5.051 -0.194 113 H VAL 20 H VAL 20 5.802 9.715 0.866 114 HA VAL 20 HA VAL 20 4.133 10.272 3.214 115 HB VAL 20 HB VAL 20 6.613 10.765 3.232 116 HG11 VAL 20 1HG1 VAL 20 6.282 11.783 0.763 117 HG12 VAL 20 2HG1 VAL 20 6.110 13.277 1.714 118 HG13 VAL 20 3HG1 VAL 20 7.588 12.296 1.858 119 HG21 VAL 20 1HG2 VAL 20 6.340 12.666 4.577 120 HG22 VAL 20 2HG2 VAL 20 4.982 13.279 3.602 121 HG23 VAL 20 3HG2 VAL 20 4.754 11.861 4.654 122 H LEU 21 H LEU 21 2.149 11.060 2.759 123 HA LEU 21 HA LEU 21 1.903 12.653 0.302 124 HB2 LEU 21 1HB LEU 21 -0.194 10.963 1.672 125 HB3 LEU 21 2HB LEU 21 -0.422 11.917 0.220 126 HG LEU 21 HG LEU 21 1.567 9.643 0.400 127 HD11 LEU 21 1HD1 LEU 21 -1.369 9.593 0.025 128 HD12 LEU 21 2HD1 LEU 21 -0.417 8.625 -1.125 129 HD13 LEU 21 3HD1 LEU 21 -0.258 8.338 0.624 130 HD21 LEU 21 1HD2 LEU 21 0.535 11.390 -1.813 131 HD22 LEU 21 2HD2 LEU 21 2.204 10.909 -1.423 132 HD23 LEU 21 3HD2 LEU 21 1.088 9.735 -2.161 133 H THR 22 H THR 22 0.930 14.675 0.420 134 HA THR 22 HA THR 22 0.450 15.615 3.164 135 HB THR 22 HB THR 22 0.931 17.344 0.705 136 HG1 THR 22 1HG THR 22 2.846 16.211 0.672 137 HG21 THR 22 1HG2 THR 22 1.831 17.606 3.620 138 HG22 THR 22 2HG2 THR 22 1.979 18.838 2.343 139 HG23 THR 22 3HG2 THR 22 0.373 18.391 2.967 140 H ALA 23 H ALA 23 -1.630 15.523 3.745 141 HA ALA 23 HA ALA 23 -3.786 15.191 2.169 142 HB1 ALA 23 1HB ALA 23 -3.507 16.811 4.731 143 HB2 ALA 23 2HB ALA 23 -5.063 16.296 4.037 144 HB3 ALA 23 3HB ALA 23 -3.888 15.078 4.587 145 H ASP 24 H ASP 24 -3.910 16.266 0.202 146 HA ASP 24 HA ASP 24 -3.202 18.814 -0.298 147 HB2 ASP 24 1HB ASP 24 -4.694 16.748 -1.592 148 HB3 ASP 24 2HB ASP 24 -5.678 18.193 -1.712 149 HA PRO 25 HA PRO 25 -6.411 21.330 1.329 150 HB2 PRO 25 1HB PRO 25 -6.922 23.198 -0.598 151 HB3 PRO 25 2HB PRO 25 -5.532 23.275 0.466 152 HG2 PRO 25 1HG PRO 25 -5.643 22.506 -2.386 153 HG3 PRO 25 2HG PRO 25 -4.255 22.995 -1.435 154 HD2 PRO 25 1HD PRO 25 -4.938 20.324 -2.225 155 HD3 PRO 25 2HD PRO 25 -3.617 20.801 -1.177 156 H VAL 26 H VAL 26 -7.079 19.495 -1.403 157 HA VAL 26 HA VAL 26 -9.932 19.757 -0.775 158 HB VAL 26 HB VAL 26 -8.544 19.837 -3.440 159 HG11 VAL 26 1HG1 VAL 26 -10.231 18.022 -3.531 160 HG12 VAL 26 2HG1 VAL 26 -11.477 19.179 -3.003 161 HG13 VAL 26 3HG1 VAL 26 -10.657 19.406 -4.567 162 HG21 VAL 26 1HG2 VAL 26 -9.873 21.794 -3.819 163 HG22 VAL 26 2HG2 VAL 26 -10.860 21.478 -2.371 164 HG23 VAL 26 3HG2 VAL 26 -9.150 21.945 -2.199 165 H THR 27 H THR 27 -7.545 17.776 -2.681 166 HA THR 27 HA THR 27 -8.984 15.389 -1.769 167 HB THR 27 HB THR 27 -7.609 14.344 -3.660 168 HG1 THR 27 1HG THR 27 -5.907 15.886 -3.779 169 HG21 THR 27 1HG2 THR 27 -9.882 16.040 -3.875 170 HG22 THR 27 2HG2 THR 27 -8.759 16.598 -5.138 171 HG23 THR 27 3HG2 THR 27 -9.290 14.900 -5.108 172 H GLY 28 H GLY 28 -8.051 15.903 0.448 173 HA2 GLY 28 1HA GLY 28 -5.678 16.031 1.434 174 HA3 GLY 28 2HA GLY 28 -6.731 14.734 1.962 175 H PHE 29 H PHE 29 -6.433 12.567 1.156 176 HA PHE 29 HA PHE 29 -3.833 12.220 -0.163 177 HB2 PHE 29 1HB PHE 29 -5.419 10.284 1.620 178 HB3 PHE 29 2HB PHE 29 -3.745 10.105 1.135 179 HD1 PHE 29 1HD PHE 29 -2.324 12.383 1.777 180 HD2 PHE 29 2HD PHE 29 -5.711 10.852 3.824 181 HE1 PHE 29 1HE PHE 29 -1.592 13.560 3.870 182 HE2 PHE 29 2HE PHE 29 -4.979 12.029 5.916 183 HZ PHE 29 HZ PHE 29 -2.928 13.369 5.914 184 H GLY 30 H GLY 30 -7.291 11.632 -0.251 185 HA2 GLY 30 1HA GLY 30 -8.610 10.441 -1.637 186 HA3 GLY 30 2HA GLY 30 -7.455 10.909 -2.869 187 H ILE 31 H ILE 31 -7.899 8.481 -0.204 188 HA ILE 31 HA ILE 31 -6.834 6.474 -2.045 189 HB ILE 31 HB ILE 31 -6.041 6.629 0.859 190 HG12 ILE 31 1HG1 ILE 31 -4.412 7.496 -1.547 191 HG13 ILE 31 2HG1 ILE 31 -5.174 8.587 -0.407 192 HG21 ILE 31 1HG2 ILE 31 -4.665 5.075 -1.320 193 HG22 ILE 31 2HG2 ILE 31 -4.616 4.839 0.444 194 HG23 ILE 31 3HG2 ILE 31 -6.083 4.414 -0.471 195 HD11 ILE 31 1HD1 ILE 31 -3.873 7.306 1.442 196 HD12 ILE 31 2HD1 ILE 31 -2.918 6.617 0.108 197 HD13 ILE 31 3HD1 ILE 31 -2.934 8.376 0.375 198 H GLN 32 H GLN 32 -7.799 4.420 -1.859 199 HA GLN 32 HA GLN 32 -10.010 4.358 0.045 200 HB2 GLN 32 1HB GLN 32 -9.967 3.921 -2.894 201 HB3 GLN 32 2HB GLN 32 -10.835 2.689 -2.000 202 HG2 GLN 32 1HG GLN 32 -12.211 4.733 -2.743 203 HG3 GLN 32 2HG GLN 32 -12.364 4.270 -1.060 204 HE21 GLN 32 1HE2 GLN 32 -10.040 6.129 -3.027 205 HE22 GLN 32 2HE2 GLN 32 -9.972 7.533 -2.015 206 H LEU 33 H LEU 33 -10.255 2.465 1.252 207 HA LEU 33 HA LEU 33 -8.268 0.379 0.678 208 HB2 LEU 33 1HB LEU 33 -9.467 0.897 3.382 209 HB3 LEU 33 2HB LEU 33 -8.018 0.001 2.971 210 HG LEU 33 HG LEU 33 -8.148 2.948 2.397 211 HD11 LEU 33 1HD1 LEU 33 -8.813 3.064 4.623 212 HD12 LEU 33 2HD1 LEU 33 -7.831 1.657 5.098 213 HD13 LEU 33 3HD1 LEU 33 -7.041 3.206 4.717 214 HD21 LEU 33 1HD2 LEU 33 -6.252 1.830 1.485 215 HD22 LEU 33 2HD2 LEU 33 -5.697 2.746 2.907 216 HD23 LEU 33 3HD2 LEU 33 -5.930 0.985 3.018 217 H GLN 34 H GLN 34 -8.940 -1.858 1.203 218 HA GLN 34 HA GLN 34 -11.835 -2.108 0.937 219 HB2 GLN 34 1HB GLN 34 -11.419 -4.174 -0.388 220 HB3 GLN 34 2HB GLN 34 -10.737 -2.753 -1.154 221 HG2 GLN 34 1HG GLN 34 -8.662 -3.664 -1.099 222 HG3 GLN 34 2HG GLN 34 -8.750 -3.845 0.642 223 HE21 GLN 34 1HE2 GLN 34 -9.634 -5.308 -2.443 224 HE22 GLN 34 2HE2 GLN 34 -9.670 -6.959 -1.919 225 H GLY 35 H GLY 35 -12.727 -4.221 1.819 226 HA2 GLY 35 1HA GLY 35 -11.160 -5.819 3.563 227 HA3 GLY 35 2HA GLY 35 -12.021 -4.594 4.474 228 H SER 36 H SER 36 -13.445 -6.078 5.509 229 HA SER 36 HA SER 36 -15.708 -6.714 3.931 230 HB2 SER 36 1HB SER 36 -13.698 -8.735 4.217 231 HB3 SER 36 2HB SER 36 -15.038 -9.210 5.241 232 HG SER 36 HG SER 36 -15.181 -9.965 2.980 233 H VAL 37 H VAL 37 -17.381 -7.969 5.450 234 HA VAL 37 HA VAL 37 -17.295 -6.559 7.980 235 HB VAL 37 HB VAL 37 -19.609 -7.120 8.141 236 HG11 VAL 37 1HG1 VAL 37 -18.485 -5.745 5.897 237 HG12 VAL 37 2HG1 VAL 37 -19.960 -6.584 5.361 238 HG13 VAL 37 3HG1 VAL 37 -20.030 -5.448 6.729 239 HG21 VAL 37 1HG2 VAL 37 -19.119 -8.986 5.799 240 HG22 VAL 37 2HG2 VAL 37 -19.616 -9.425 7.451 241 HG23 VAL 37 3HG2 VAL 37 -20.733 -8.528 6.394 242 H PHE 38 H PHE 38 -17.060 -9.848 6.619 243 HA PHE 38 HA PHE 38 -17.168 -11.031 9.250 244 HB2 PHE 38 1HB PHE 38 -16.720 -11.962 6.360 245 HB3 PHE 38 2HB PHE 38 -16.572 -13.085 7.697 246 HD1 PHE 38 1HD PHE 38 -18.739 -12.616 9.442 247 HD2 PHE 38 2HD PHE 38 -18.686 -12.265 5.214 248 HE1 PHE 38 1HE PHE 38 -21.216 -13.021 9.378 249 HE2 PHE 38 2HE PHE 38 -21.162 -12.669 5.149 250 HZ PHE 38 HZ PHE 38 -22.398 -13.043 7.232 251 H ALA 39 H ALA 39 -15.430 -11.577 10.508 252 HA ALA 39 HA ALA 39 -12.900 -12.176 9.417 253 HB1 ALA 39 1HB ALA 39 -11.642 -10.249 10.005 254 HB2 ALA 39 2HB ALA 39 -13.072 -9.620 9.152 255 HB3 ALA 39 3HB ALA 39 -12.992 -9.548 10.928 256 H THR 40 H THR 40 -11.247 -11.762 11.581 257 HA THR 40 HA THR 40 -12.741 -13.051 13.771 258 HB THR 40 HB THR 40 -9.949 -13.534 12.623 259 HG1 THR 40 1HG THR 40 -12.301 -15.170 13.265 260 HG21 THR 40 1HG2 THR 40 -10.070 -13.597 15.227 261 HG22 THR 40 2HG2 THR 40 -11.203 -14.954 15.016 262 HG23 THR 40 3HG2 THR 40 -9.533 -15.088 14.416 263 H GLU 41 H GLU 41 -9.375 -11.810 13.659 264 HA GLU 41 HA GLU 41 -10.099 -10.186 15.945 265 HB2 GLU 41 1HB GLU 41 -8.137 -11.813 16.005 266 HB3 GLU 41 2HB GLU 41 -7.318 -10.783 14.848 267 HG2 GLU 41 1HG GLU 41 -7.370 -8.885 16.407 268 HG3 GLU 41 2HG GLU 41 -8.368 -9.782 17.535 269 H THR 42 H THR 42 -8.451 -9.981 12.727 270 HA THR 42 HA THR 42 -9.044 -7.098 12.757 271 HB THR 42 HB THR 42 -6.623 -7.485 13.187 272 HG1 THR 42 1HG THR 42 -7.263 -5.733 11.761 273 HG21 THR 42 1HG2 THR 42 -6.092 -8.502 10.454 274 HG22 THR 42 2HG2 THR 42 -5.339 -8.975 11.996 275 HG23 THR 42 3HG2 THR 42 -6.885 -9.704 11.499 276 H LEU 43 H LEU 43 -7.566 -7.379 9.958 277 HA LEU 43 HA LEU 43 -10.065 -8.034 8.591 278 HB2 LEU 43 1HB LEU 43 -9.391 -5.871 8.061 279 HB3 LEU 43 2HB LEU 43 -7.698 -6.309 7.949 280 HG LEU 43 HG LEU 43 -8.073 -7.466 5.849 281 HD11 LEU 43 1HD1 LEU 43 -10.854 -6.592 5.456 282 HD12 LEU 43 2HD1 LEU 43 -10.055 -8.126 5.038 283 HD13 LEU 43 3HD1 LEU 43 -10.644 -7.852 6.695 284 HD21 LEU 43 1HD2 LEU 43 -7.755 -4.932 5.988 285 HD22 LEU 43 2HD2 LEU 43 -8.375 -5.602 4.459 286 HD23 LEU 43 3HD2 LEU 43 -9.489 -4.813 5.603 287 H SER 44 H SER 44 -7.611 -9.772 9.713 288 HA SER 44 HA SER 44 -6.442 -11.504 9.081 289 HB2 SER 44 1HB SER 44 -9.165 -11.842 8.029 290 HB3 SER 44 2HB SER 44 -8.004 -12.793 7.123 291 HG SER 44 HG SER 44 -7.876 -12.834 9.984 292 H SER 45 H SER 45 -6.022 -8.996 7.498 293 HA SER 45 HA SER 45 -4.191 -9.880 5.724 294 HB2 SER 45 1HB SER 45 -6.936 -9.865 4.567 295 HB3 SER 45 2HB SER 45 -5.731 -9.044 3.595 296 HG SER 45 HG SER 45 -5.633 -11.778 4.546 297 HA PRO 46 HA PRO 46 -3.607 -5.570 5.593 298 HB2 PRO 46 1HB PRO 46 -2.111 -5.185 3.339 299 HB3 PRO 46 2HB PRO 46 -1.439 -5.773 4.847 300 HG2 PRO 46 1HG PRO 46 -2.031 -7.275 2.371 301 HG3 PRO 46 2HG PRO 46 -0.991 -7.727 3.707 302 HD2 PRO 46 1HD PRO 46 -3.627 -8.723 3.171 303 HD3 PRO 46 2HD PRO 46 -2.633 -9.087 4.568 304 HA PRO 47 HA PRO 47 -6.563 -3.606 3.269 305 HB2 PRO 47 1HB PRO 47 -5.897 -0.976 3.594 306 HB3 PRO 47 2HB PRO 47 -6.786 -1.895 4.793 307 HG2 PRO 47 1HG PRO 47 -3.952 -1.052 4.830 308 HG3 PRO 47 2HG PRO 47 -4.958 -1.582 6.164 309 HD2 PRO 47 1HD PRO 47 -2.937 -3.114 4.824 310 HD3 PRO 47 2HD PRO 47 -4.021 -3.680 6.079 311 H LEU 48 H LEU 48 -6.628 -4.066 1.154 312 HA LEU 48 HA LEU 48 -4.405 -3.171 -0.439 313 HB2 LEU 48 1HB LEU 48 -6.935 -4.684 -1.091 314 HB3 LEU 48 2HB LEU 48 -5.704 -4.278 -2.271 315 HG LEU 48 HG LEU 48 -5.149 -5.928 0.206 316 HD11 LEU 48 1HD1 LEU 48 -5.960 -6.818 -2.569 317 HD12 LEU 48 2HD1 LEU 48 -5.156 -7.881 -1.389 318 HD13 LEU 48 3HD1 LEU 48 -6.751 -7.184 -1.017 319 HD21 LEU 48 1HD2 LEU 48 -3.547 -5.052 -2.154 320 HD22 LEU 48 2HD2 LEU 48 -3.074 -5.249 -0.450 321 HD23 LEU 48 3HD2 LEU 48 -3.254 -6.679 -1.494 322 H ILE 49 H ILE 49 -4.317 -1.385 -1.739 323 HA ILE 49 HA ILE 49 -6.123 0.685 -1.303 324 HB ILE 49 HB ILE 49 -4.082 0.229 -3.478 325 HG12 ILE 49 1HG1 ILE 49 -3.979 1.702 -0.832 326 HG13 ILE 49 2HG1 ILE 49 -3.094 0.255 -1.273 327 HG21 ILE 49 1HG2 ILE 49 -4.507 2.233 -4.394 328 HG22 ILE 49 2HG2 ILE 49 -6.114 2.037 -3.655 329 HG23 ILE 49 3HG2 ILE 49 -4.864 2.994 -2.826 330 HD11 ILE 49 1HD1 ILE 49 -1.729 1.425 -2.856 331 HD12 ILE 49 2HD1 ILE 49 -2.817 2.834 -2.864 332 HD13 ILE 49 3HD1 ILE 49 -1.815 2.491 -1.433 333 H SER 50 H SER 50 -8.282 0.229 -1.669 334 HA SER 50 HA SER 50 -9.215 -1.282 -3.759 335 HB2 SER 50 1HB SER 50 -10.809 -0.938 -2.106 336 HB3 SER 50 2HB SER 50 -10.381 0.747 -1.883 337 HG SER 50 HG SER 50 -12.464 0.505 -2.912 338 H TYR 51 H TYR 51 -8.976 2.334 -3.438 339 HA TYR 51 HA TYR 51 -8.581 2.515 -6.302 340 HB2 TYR 51 1HB TYR 51 -11.081 2.588 -5.889 341 HB3 TYR 51 2HB TYR 51 -10.847 3.834 -4.679 342 HD1 TYR 51 1HD TYR 51 -10.396 3.136 -8.322 343 HD2 TYR 51 2HD TYR 51 -10.878 6.110 -5.284 344 HE1 TYR 51 1HE TYR 51 -10.658 4.927 -10.107 345 HE2 TYR 51 2HE TYR 51 -11.139 7.891 -7.080 346 HH TYR 51 HH TYR 51 -10.530 8.246 -9.362 347 H ILE 52 H ILE 52 -7.848 4.694 -6.964 348 HA ILE 52 HA ILE 52 -6.829 6.219 -4.669 349 HB ILE 52 HB ILE 52 -5.414 5.583 -7.260 350 HG12 ILE 52 1HG1 ILE 52 -4.508 4.828 -4.486 351 HG13 ILE 52 2HG1 ILE 52 -5.616 3.806 -5.379 352 HG21 ILE 52 1HG2 ILE 52 -3.619 6.933 -6.563 353 HG22 ILE 52 2HG2 ILE 52 -5.077 7.919 -6.301 354 HG23 ILE 52 3HG2 ILE 52 -4.283 7.121 -4.922 355 HD11 ILE 52 1HD1 ILE 52 -2.779 3.941 -5.641 356 HD12 ILE 52 2HD1 ILE 52 -3.912 2.969 -6.610 357 HD13 ILE 52 3HD1 ILE 52 -3.459 4.604 -7.146 358 H GLU 53 H GLU 53 -7.931 8.100 -4.574 359 HA GLU 53 HA GLU 53 -9.519 9.079 -6.533 360 HB2 GLU 53 1HB GLU 53 -8.812 9.826 -3.954 361 HB3 GLU 53 2HB GLU 53 -8.223 11.182 -4.896 362 HG2 GLU 53 1HG GLU 53 -10.764 10.616 -6.002 363 HG3 GLU 53 2HG GLU 53 -10.990 10.414 -4.276 364 H ALA 54 H ALA 54 -9.326 10.917 -8.029 365 HA ALA 54 HA ALA 54 -6.691 10.963 -9.239 366 HB1 ALA 54 1HB ALA 54 -8.166 12.433 -10.904 367 HB2 ALA 54 2HB ALA 54 -8.280 10.657 -10.890 368 HB3 ALA 54 3HB ALA 54 -9.504 11.634 -10.044 369 H ASP 55 H ASP 55 -5.740 13.077 -9.938 370 HA ASP 55 HA ASP 55 -4.936 15.034 -9.471 371 HB2 ASP 55 1HB ASP 55 -7.741 15.377 -9.459 372 HB3 ASP 55 2HB ASP 55 -7.209 16.205 -8.009 373 H SER 56 H SER 56 -5.198 12.775 -7.330 374 HA SER 56 HA SER 56 -5.010 14.416 -4.944 375 HB2 SER 56 1HB SER 56 -6.068 12.701 -3.929 376 HB3 SER 56 2HB SER 56 -6.177 11.885 -5.476 377 HG SER 56 HG SER 56 -4.812 10.434 -4.717 378 HA PRO 57 HA PRO 57 -0.734 13.677 -4.618 379 HB2 PRO 57 1HB PRO 57 -0.297 13.427 -1.932 380 HB3 PRO 57 2HB PRO 57 -0.530 14.972 -2.725 381 HG2 PRO 57 1HG PRO 57 -2.417 13.457 -1.027 382 HG3 PRO 57 2HG PRO 57 -2.457 15.152 -1.470 383 HD2 PRO 57 1HD PRO 57 -4.080 13.055 -2.562 384 HD3 PRO 57 2HD PRO 57 -4.037 14.727 -3.085 385 H ALA 58 H ALA 58 -2.845 11.272 -3.463 386 HA ALA 58 HA ALA 58 -0.791 9.357 -2.955 387 HB1 ALA 58 1HB ALA 58 -2.787 7.798 -2.888 388 HB2 ALA 58 2HB ALA 58 -2.886 9.186 -1.777 389 HB3 ALA 58 3HB ALA 58 -3.808 9.197 -3.300 390 H GLU 59 H GLU 59 -2.563 10.556 -5.756 391 HA GLU 59 HA GLU 59 -1.769 8.240 -7.289 392 HB2 GLU 59 1HB GLU 59 -4.081 9.235 -7.502 393 HB3 GLU 59 2HB GLU 59 -3.361 10.689 -8.164 394 HG2 GLU 59 1HG GLU 59 -3.999 9.399 -10.072 395 HG3 GLU 59 2HG GLU 59 -2.263 9.193 -9.950 396 H ARG 60 H ARG 60 -0.798 11.525 -6.569 397 HA ARG 60 HA ARG 60 0.524 12.075 -8.947 398 HB2 ARG 60 1HB ARG 60 0.493 13.153 -6.156 399 HB3 ARG 60 2HB ARG 60 1.950 13.504 -7.064 400 HG2 ARG 60 1HG ARG 60 0.022 14.068 -8.956 401 HG3 ARG 60 2HG ARG 60 -0.833 14.494 -7.486 402 HD2 ARG 60 1HD ARG 60 1.385 15.788 -6.855 403 HD3 ARG 60 2HD ARG 60 1.756 15.661 -8.563 404 HE ARG 60 HE ARG 60 0.151 17.299 -8.989 405 HH11 ARG 60 2HH2 ARG 60 -0.546 15.826 -5.870 406 HH12 ARG 60 1HH2 ARG 60 -1.842 16.914 -5.503 407 HH21 ARG 60 2HH1 ARG 60 -1.559 18.735 -8.504 408 HH22 ARG 60 1HH1 ARG 60 -2.422 18.580 -7.011 409 H CYS 61 H CYS 61 1.530 10.518 -5.849 410 HA CYS 61 HA CYS 61 4.243 10.383 -6.366 411 HB2 CYS 61 1HB CYS 61 2.529 9.552 -4.329 412 HB3 CYS 61 2HB CYS 61 3.221 8.054 -4.918 413 HG CYS 61 HG CYS 61 5.644 9.757 -5.128 414 H GLY 62 H GLY 62 1.484 8.206 -7.215 415 HA2 GLY 62 1HA GLY 62 1.312 6.858 -9.055 416 HA3 GLY 62 2HA GLY 62 2.997 7.141 -9.445 417 H VAL 63 H VAL 63 4.292 6.421 -7.029 418 HA VAL 63 HA VAL 63 4.691 3.765 -7.301 419 HB VAL 63 HB VAL 63 5.708 3.825 -5.127 420 HG11 VAL 63 1HG1 VAL 63 7.335 5.395 -5.579 421 HG12 VAL 63 2HG1 VAL 63 6.540 5.282 -7.167 422 HG13 VAL 63 3HG1 VAL 63 6.159 6.635 -6.076 423 HG21 VAL 63 1HG2 VAL 63 3.609 5.199 -4.217 424 HG22 VAL 63 2HG2 VAL 63 5.193 5.242 -3.405 425 HG23 VAL 63 3HG2 VAL 63 4.712 6.569 -4.489 426 H LEU 64 H LEU 64 1.960 5.400 -5.774 427 HA LEU 64 HA LEU 64 1.089 3.026 -4.405 428 HB2 LEU 64 1HB LEU 64 -0.484 5.548 -4.885 429 HB3 LEU 64 2HB LEU 64 -0.709 4.351 -3.625 430 HG LEU 64 HG LEU 64 1.681 6.200 -3.864 431 HD11 LEU 64 1HD1 LEU 64 -0.953 6.699 -2.886 432 HD12 LEU 64 2HD1 LEU 64 0.168 6.674 -1.503 433 HD13 LEU 64 3HD1 LEU 64 0.470 7.768 -2.874 434 HD21 LEU 64 1HD2 LEU 64 1.323 3.769 -2.404 435 HD22 LEU 64 2HD2 LEU 64 2.714 4.880 -2.415 436 HD23 LEU 64 3HD2 LEU 64 1.390 5.124 -1.251 437 H GLN 65 H GLN 65 0.446 1.325 -5.633 438 HA GLN 65 HA GLN 65 -1.025 1.947 -8.052 439 HB2 GLN 65 1HB GLN 65 -0.553 -0.351 -8.729 440 HB3 GLN 65 2HB GLN 65 0.935 0.405 -8.196 441 HG2 GLN 65 1HG GLN 65 -0.222 -0.732 -5.853 442 HG3 GLN 65 2HG GLN 65 -0.426 -1.938 -7.108 443 HE21 GLN 65 1HE2 GLN 65 1.129 -3.352 -7.147 444 HE22 GLN 65 2HE2 GLN 65 2.815 -3.079 -6.860 445 H ILE 66 H ILE 66 -2.960 0.494 -8.571 446 HA ILE 66 HA ILE 66 -4.741 0.581 -6.355 447 HB ILE 66 HB ILE 66 -4.988 -0.362 -9.206 448 HG12 ILE 66 1HG1 ILE 66 -4.733 2.139 -8.478 449 HG13 ILE 66 2HG1 ILE 66 -5.916 1.682 -9.687 450 HG21 ILE 66 1HG2 ILE 66 -7.561 -0.031 -8.311 451 HG22 ILE 66 2HG2 ILE 66 -6.731 -1.590 -8.531 452 HG23 ILE 66 3HG2 ILE 66 -6.776 -0.824 -6.924 453 HD11 ILE 66 1HD1 ILE 66 -6.619 3.224 -7.644 454 HD12 ILE 66 2HD1 ILE 66 -7.732 1.968 -8.236 455 HD13 ILE 66 3HD1 ILE 66 -6.747 1.672 -6.783 456 H GLY 67 H GLY 67 -4.985 -0.925 -4.801 457 HA2 GLY 67 1HA GLY 67 -5.265 -3.001 -3.910 458 HA3 GLY 67 2HA GLY 67 -4.917 -3.731 -5.465 459 H ASP 68 H ASP 68 -2.889 -1.343 -3.665 460 HA ASP 68 HA ASP 68 -0.636 -3.008 -4.038 461 HB2 ASP 68 1HB ASP 68 -0.977 -0.328 -3.736 462 HB3 ASP 68 2HB ASP 68 -0.592 -0.730 -2.074 463 H ARG 69 H ARG 69 0.879 -2.993 -1.768 464 HA ARG 69 HA ARG 69 -0.872 -4.215 0.212 465 HB2 ARG 69 1HB ARG 69 1.515 -5.339 0.825 466 HB3 ARG 69 2HB ARG 69 0.438 -6.040 -0.366 467 HG2 ARG 69 1HG ARG 69 2.484 -3.959 -1.205 468 HG3 ARG 69 2HG ARG 69 2.967 -5.631 -0.994 469 HD2 ARG 69 1HD ARG 69 0.766 -6.057 -2.518 470 HD3 ARG 69 2HD ARG 69 1.129 -4.429 -3.055 471 HE ARG 69 HE ARG 69 2.767 -6.837 -3.515 472 HH11 ARG 69 2HH2 ARG 69 2.639 -3.321 -3.585 473 HH12 ARG 69 1HH2 ARG 69 3.969 -3.167 -4.685 474 HH21 ARG 69 2HH1 ARG 69 4.521 -6.634 -4.966 475 HH22 ARG 69 1HH1 ARG 69 5.046 -5.064 -5.475 476 H VAL 70 H VAL 70 -1.154 -2.290 1.478 477 HA VAL 70 HA VAL 70 1.223 -0.874 2.330 478 HB VAL 70 HB VAL 70 -0.938 0.208 1.612 479 HG11 VAL 70 1HG1 VAL 70 -1.957 -0.459 4.376 480 HG12 VAL 70 2HG1 VAL 70 -2.840 0.219 2.987 481 HG13 VAL 70 3HG1 VAL 70 -2.331 -1.487 2.972 482 HG21 VAL 70 1HG2 VAL 70 -0.742 1.403 4.209 483 HG22 VAL 70 2HG2 VAL 70 0.881 0.880 3.699 484 HG23 VAL 70 3HG2 VAL 70 -0.069 1.971 2.662 485 H MET 71 H MET 71 2.410 -1.664 3.985 486 HA MET 71 HA MET 71 1.172 -3.492 5.803 487 HB2 MET 71 1HB MET 71 3.975 -2.362 6.129 488 HB3 MET 71 2HB MET 71 3.414 -3.989 6.460 489 HG2 MET 71 1HG MET 71 2.946 -4.038 3.828 490 HG3 MET 71 2HG MET 71 4.111 -2.730 3.797 491 HE1 MET 71 1HE MET 71 4.617 -7.073 4.909 492 HE2 MET 71 2HE MET 71 4.418 -6.085 6.376 493 HE3 MET 71 3HE MET 71 3.180 -6.040 5.099 494 H ALA 72 H ALA 72 1.455 -0.109 5.582 495 HA ALA 72 HA ALA 72 0.495 0.225 8.240 496 HB1 ALA 72 1HB ALA 72 2.952 -0.019 8.645 497 HB2 ALA 72 2HB ALA 72 3.235 1.375 7.574 498 HB3 ALA 72 3HB ALA 72 2.329 1.587 9.091 499 H ILE 73 H ILE 73 -0.368 2.377 8.552 500 HA ILE 73 HA ILE 73 -0.515 3.865 6.022 501 HB ILE 73 HB ILE 73 -2.550 3.173 8.092 502 HG12 ILE 73 1HG1 ILE 73 -2.814 3.438 5.090 503 HG13 ILE 73 2HG1 ILE 73 -2.242 1.974 5.865 504 HG21 ILE 73 1HG2 ILE 73 -2.637 5.571 8.166 505 HG22 ILE 73 2HG2 ILE 73 -2.605 5.677 6.389 506 HG23 ILE 73 3HG2 ILE 73 -4.021 4.982 7.214 507 HD11 ILE 73 1HD1 ILE 73 -4.971 2.961 5.602 508 HD12 ILE 73 2HD1 ILE 73 -4.404 1.367 6.153 509 HD13 ILE 73 3HD1 ILE 73 -4.567 2.704 7.316 510 H ASN 74 H ASN 74 1.080 3.819 8.891 511 HA ASN 74 HA ASN 74 1.981 6.359 8.724 512 HB2 ASN 74 1HB ASN 74 0.829 7.325 10.871 513 HB3 ASN 74 2HB ASN 74 -0.072 7.387 9.369 514 HD21 ASN 74 1HD2 ASN 74 -2.004 7.475 10.528 515 HD22 ASN 74 2HD2 ASN 74 -2.721 6.077 11.259 516 H GLY 75 H GLY 75 2.992 3.775 9.252 517 HA2 GLY 75 1HA GLY 75 4.736 3.096 10.611 518 HA3 GLY 75 2HA GLY 75 4.185 4.161 11.889 519 H ILE 76 H ILE 76 1.399 3.409 11.974 520 HA ILE 76 HA ILE 76 1.597 1.149 13.630 521 HB ILE 76 HB ILE 76 -0.511 2.977 12.659 522 HG12 ILE 76 1HG1 ILE 76 0.327 1.843 15.339 523 HG13 ILE 76 2HG1 ILE 76 0.601 3.463 14.730 524 HG21 ILE 76 1HG2 ILE 76 -1.031 0.105 13.263 525 HG22 ILE 76 2HG2 ILE 76 -2.150 1.313 13.937 526 HG23 ILE 76 3HG2 ILE 76 -1.885 1.229 12.179 527 HD11 ILE 76 1HD1 ILE 76 -2.082 3.442 14.490 528 HD12 ILE 76 2HD1 ILE 76 -1.928 2.227 15.781 529 HD13 ILE 76 3HD1 ILE 76 -1.281 3.868 16.022 530 HA PRO 77 HA PRO 77 1.213 -1.998 10.689 531 HB2 PRO 77 1HB PRO 77 0.640 -4.101 12.337 532 HB3 PRO 77 2HB PRO 77 2.267 -3.506 12.074 533 HG2 PRO 77 1HG PRO 77 0.519 -3.140 14.429 534 HG3 PRO 77 2HG PRO 77 2.255 -2.933 14.308 535 HD2 PRO 77 1HD PRO 77 0.280 -0.854 14.381 536 HD3 PRO 77 2HD PRO 77 2.005 -0.654 14.143 537 H THR 78 H THR 78 -0.367 -1.762 9.223 538 HA THR 78 HA THR 78 -3.080 -1.763 10.139 539 HB THR 78 HB THR 78 -3.538 -1.368 7.755 540 HG1 THR 78 1HG THR 78 -0.693 -1.860 7.357 541 HG21 THR 78 1HG2 THR 78 -1.244 0.140 7.310 542 HG22 THR 78 2HG2 THR 78 -2.672 0.721 8.198 543 HG23 THR 78 3HG2 THR 78 -1.285 0.048 9.087 544 H GLU 79 H GLU 79 -2.989 -3.848 11.314 545 HA GLU 79 HA GLU 79 -4.285 -5.780 9.847 546 HB2 GLU 79 1HB GLU 79 -1.563 -5.914 9.296 547 HB3 GLU 79 2HB GLU 79 -1.734 -7.092 10.582 548 HG2 GLU 79 1HG GLU 79 -3.824 -7.933 9.192 549 HG3 GLU 79 2HG GLU 79 -3.087 -7.054 7.868 550 H ASP 80 H ASP 80 -5.003 -4.615 12.145 551 HA ASP 80 HA ASP 80 -4.892 -6.811 13.967 552 HB2 ASP 80 1HB ASP 80 -2.925 -5.085 14.422 553 HB3 ASP 80 2HB ASP 80 -4.197 -4.080 15.088 554 H SER 81 H SER 81 -5.659 -3.256 13.656 555 HA SER 81 HA SER 81 -8.020 -3.532 15.186 556 HB2 SER 81 1HB SER 81 -8.315 -1.112 13.959 557 HB3 SER 81 2HB SER 81 -7.349 -1.360 15.400 558 HG SER 81 HG SER 81 -6.346 -1.471 12.682 559 H THR 82 H THR 82 -9.996 -2.092 13.867 560 HA THR 82 HA THR 82 -10.843 -4.015 11.890 561 HB THR 82 HB THR 82 -12.990 -2.990 12.227 562 HG1 THR 82 1HG THR 82 -11.254 -0.808 13.129 563 HG21 THR 82 1HG2 THR 82 -11.659 -2.219 14.852 564 HG22 THR 82 2HG2 THR 82 -13.287 -2.890 14.589 565 HG23 THR 82 3HG2 THR 82 -11.855 -3.934 14.417 566 H PHE 83 H PHE 83 -11.811 -3.304 9.792 567 HA PHE 83 HA PHE 83 -9.872 -2.044 8.269 568 HB2 PHE 83 1HB PHE 83 -11.414 -3.458 7.125 569 HB3 PHE 83 2HB PHE 83 -12.782 -2.870 8.049 570 HD1 PHE 83 2HD PHE 83 -13.692 -0.560 7.513 571 HD2 PHE 83 1HD PHE 83 -10.923 -2.569 5.002 572 HE1 PHE 83 2HE PHE 83 -14.338 0.936 5.604 573 HE2 PHE 83 1HE PHE 83 -11.569 -1.073 3.093 574 HZ PHE 83 HZ PHE 83 -13.269 0.662 3.417 575 H GLU 84 H GLU 84 -12.693 -0.753 10.026 576 HA GLU 84 HA GLU 84 -12.853 1.658 8.663 577 HB2 GLU 84 1HB GLU 84 -13.761 0.639 11.349 578 HB3 GLU 84 2HB GLU 84 -13.842 2.365 11.054 579 HG2 GLU 84 1HG GLU 84 -14.986 0.367 9.062 580 HG3 GLU 84 2HG GLU 84 -15.925 0.923 10.434 581 H GLU 85 H GLU 85 -10.783 0.505 11.333 582 HA GLU 85 HA GLU 85 -9.921 2.886 12.324 583 HB2 GLU 85 1HB GLU 85 -9.214 0.161 12.559 584 HB3 GLU 85 2HB GLU 85 -7.725 0.961 12.097 585 HG2 GLU 85 1HG GLU 85 -9.468 2.135 14.289 586 HG3 GLU 85 2HG GLU 85 -8.373 0.815 14.649 587 H ALA 86 H ALA 86 -8.478 0.957 9.600 588 HA ALA 86 HA ALA 86 -6.394 2.607 8.979 589 HB1 ALA 86 1HB ALA 86 -6.577 1.625 6.715 590 HB2 ALA 86 2HB ALA 86 -6.813 0.395 7.979 591 HB3 ALA 86 3HB ALA 86 -8.216 1.049 7.101 592 H ASN 87 H ASN 87 -9.757 2.737 7.597 593 HA ASN 87 HA ASN 87 -9.408 4.898 6.019 594 HB2 ASN 87 1HB ASN 87 -11.538 3.345 6.668 595 HB3 ASN 87 2HB ASN 87 -11.955 4.743 7.639 596 HD21 ASN 87 1HD2 ASN 87 -13.489 3.849 5.516 597 HD22 ASN 87 2HD2 ASN 87 -13.487 5.019 4.239 598 H GLN 88 H GLN 88 -9.880 4.671 9.565 599 HA GLN 88 HA GLN 88 -10.426 7.399 9.942 600 HB2 GLN 88 1HB GLN 88 -10.246 5.012 11.542 601 HB3 GLN 88 2HB GLN 88 -9.246 6.235 12.300 602 HG2 GLN 88 1HG GLN 88 -11.471 6.504 13.199 603 HG3 GLN 88 2HG GLN 88 -11.198 7.857 12.118 604 HE21 GLN 88 1HE2 GLN 88 -12.142 4.439 11.734 605 HE22 GLN 88 2HE2 GLN 88 -13.556 4.709 10.771 606 H LEU 89 H LEU 89 -7.456 5.386 9.904 607 HA LEU 89 HA LEU 89 -5.685 7.155 11.034 608 HB2 LEU 89 1HB LEU 89 -5.261 5.198 8.771 609 HB3 LEU 89 2HB LEU 89 -3.979 5.977 9.679 610 HG LEU 89 HG LEU 89 -5.873 3.816 10.528 611 HD11 LEU 89 1HD1 LEU 89 -2.903 4.274 10.531 612 HD12 LEU 89 2HD1 LEU 89 -3.634 3.072 11.622 613 HD13 LEU 89 3HD1 LEU 89 -3.846 2.920 9.862 614 HD21 LEU 89 1HD2 LEU 89 -5.119 4.211 12.908 615 HD22 LEU 89 2HD2 LEU 89 -4.583 5.825 12.384 616 HD23 LEU 89 3HD2 LEU 89 -6.301 5.374 12.262 617 H LEU 90 H LEU 90 -6.906 6.973 7.642 618 HA LEU 90 HA LEU 90 -5.255 9.066 6.719 619 HB2 LEU 90 1HB LEU 90 -7.806 7.850 5.658 620 HB3 LEU 90 2HB LEU 90 -6.880 9.069 4.805 621 HG LEU 90 HG LEU 90 -6.162 6.207 5.385 622 HD11 LEU 90 1HD1 LEU 90 -5.381 6.690 2.853 623 HD12 LEU 90 2HD1 LEU 90 -7.027 6.177 3.298 624 HD13 LEU 90 3HD1 LEU 90 -6.680 7.898 3.004 625 HD21 LEU 90 1HD2 LEU 90 -4.218 7.381 6.159 626 HD22 LEU 90 2HD2 LEU 90 -3.859 6.690 4.559 627 HD23 LEU 90 3HD2 LEU 90 -4.212 8.427 4.720 628 H ARG 91 H ARG 91 -8.601 8.892 8.046 629 HA ARG 91 HA ARG 91 -9.205 11.543 7.533 630 HB2 ARG 91 1HB ARG 91 -10.228 9.540 9.594 631 HB3 ARG 91 2HB ARG 91 -10.896 11.157 9.485 632 HG2 ARG 91 1HG ARG 91 -10.715 9.905 6.833 633 HG3 ARG 91 2HG ARG 91 -11.643 8.911 7.938 634 HD2 ARG 91 1HD ARG 91 -13.390 10.389 7.983 635 HD3 ARG 91 2HD ARG 91 -12.332 11.772 8.181 636 HE ARG 91 HE ARG 91 -12.116 10.727 5.494 637 HH11 ARG 91 2HH2 ARG 91 -14.232 12.620 7.573 638 HH12 ARG 91 1HH2 ARG 91 -14.953 13.492 6.261 639 HH21 ARG 91 2HH1 ARG 91 -13.066 11.877 3.763 640 HH22 ARG 91 1HH1 ARG 91 -14.285 13.066 4.079 641 H ASP 92 H ASP 92 -7.350 9.925 10.092 642 HA ASP 92 HA ASP 92 -7.434 12.198 11.810 643 HB2 ASP 92 1HB ASP 92 -7.068 9.580 12.305 644 HB3 ASP 92 2HB ASP 92 -5.382 9.997 12.067 645 H SER 93 H SER 93 -5.066 10.464 9.670 646 HA SER 93 HA SER 93 -2.807 11.772 10.144 647 HB2 SER 93 1HB SER 93 -3.979 11.017 7.433 648 HB3 SER 93 2HB SER 93 -2.306 11.491 7.658 649 HG SER 93 HG SER 93 -2.156 9.696 9.257 650 H SER 94 H SER 94 -5.622 12.983 8.251 651 HA SER 94 HA SER 94 -4.637 15.126 7.035 652 HB2 SER 94 1HB SER 94 -7.064 14.328 7.175 653 HB3 SER 94 2HB SER 94 -7.202 15.221 8.677 654 HG SER 94 HG SER 94 -7.717 16.867 7.404 655 H ILE 95 H ILE 95 -4.978 14.634 10.529 656 HA ILE 95 HA ILE 95 -4.945 17.223 11.444 657 HB ILE 95 HB ILE 95 -3.906 14.621 12.508 658 HG12 ILE 95 1HG1 ILE 95 -6.010 16.356 13.762 659 HG13 ILE 95 2HG1 ILE 95 -6.409 15.435 12.325 660 HG21 ILE 95 1HG2 ILE 95 -3.698 15.958 14.727 661 HG22 ILE 95 2HG2 ILE 95 -2.354 15.978 13.560 662 HG23 ILE 95 3HG2 ILE 95 -3.469 17.363 13.658 663 HD11 ILE 95 1HD1 ILE 95 -6.228 14.496 15.029 664 HD12 ILE 95 2HD1 ILE 95 -6.628 13.560 13.569 665 HD13 ILE 95 3HD1 ILE 95 -4.935 13.701 14.098 666 H THR 96 H THR 96 -2.000 15.102 11.203 667 HA THR 96 HA THR 96 -0.288 17.384 11.285 668 HB THR 96 HB THR 96 0.259 15.116 12.231 669 HG1 THR 96 1HG THR 96 1.845 16.755 11.288 670 HG21 THR 96 1HG2 THR 96 0.545 13.219 10.905 671 HG22 THR 96 2HG2 THR 96 -0.728 14.012 9.946 672 HG23 THR 96 3HG2 THR 96 0.978 14.173 9.465 673 H SER 97 H SER 97 -2.293 16.207 8.861 674 HA SER 97 HA SER 97 -2.445 16.596 6.733 675 HB2 SER 97 1HB SER 97 -0.692 18.792 7.663 676 HB3 SER 97 2HB SER 97 -0.518 18.450 5.953 677 HG SER 97 HG SER 97 -2.815 19.356 7.398 678 H LYS 98 H LYS 98 -0.486 14.585 7.856 679 HA LYS 98 HA LYS 98 0.856 14.050 5.351 680 HB2 LYS 98 1HB LYS 98 2.366 15.471 6.956 681 HB3 LYS 98 2HB LYS 98 2.555 13.965 7.831 682 HG2 LYS 98 1HG LYS 98 3.727 12.935 6.103 683 HG3 LYS 98 2HG LYS 98 2.886 13.825 4.850 684 HD2 LYS 98 1HD LYS 98 4.500 15.579 6.601 685 HD3 LYS 98 2HD LYS 98 5.467 14.363 5.791 686 HE2 LYS 98 1HE LYS 98 3.783 15.242 3.744 687 HE3 LYS 98 2HE LYS 98 4.061 16.713 4.655 688 HZ1 LYS 98 1HZ LYS 98 6.390 16.399 4.438 689 HZ2 LYS 98 2HZ LYS 98 6.212 14.929 3.749 690 HZ3 LYS 98 3HZ LYS 98 5.735 16.269 2.948 691 H VAL 99 H VAL 99 1.506 11.789 5.167 692 HA VAL 99 HA VAL 99 0.612 10.064 7.326 693 HB VAL 99 HB VAL 99 -1.354 10.527 5.859 694 HG11 VAL 99 1HG1 VAL 99 0.510 9.401 3.786 695 HG12 VAL 99 2HG1 VAL 99 -1.243 9.128 3.642 696 HG13 VAL 99 3HG1 VAL 99 -0.601 10.788 3.684 697 HG21 VAL 99 1HG2 VAL 99 -1.361 8.517 7.159 698 HG22 VAL 99 2HG2 VAL 99 -1.937 8.095 5.528 699 HG23 VAL 99 3HG2 VAL 99 -0.271 7.698 6.014 700 H THR 100 H THR 100 1.498 7.892 7.152 701 HA THR 100 HA THR 100 3.699 7.739 5.199 702 HB THR 100 HB THR 100 3.803 6.480 7.959 703 HG1 THR 100 1HG THR 100 3.181 8.873 7.927 704 HG21 THR 100 1HG2 THR 100 5.740 7.441 5.838 705 HG22 THR 100 2HG2 THR 100 6.245 7.501 7.544 706 HG23 THR 100 3HG2 THR 100 5.788 5.947 6.805 707 H LEU 101 H LEU 101 2.768 6.477 3.640 708 HA LEU 101 HA LEU 101 1.399 4.068 4.530 709 HB2 LEU 101 1HB LEU 101 1.636 5.496 1.890 710 HB3 LEU 101 2HB LEU 101 0.978 3.877 2.015 711 HG LEU 101 HG LEU 101 -0.885 4.601 3.287 712 HD11 LEU 101 1HD1 LEU 101 0.446 7.312 3.552 713 HD12 LEU 101 2HD1 LEU 101 -1.165 6.864 4.164 714 HD13 LEU 101 3HD1 LEU 101 0.290 6.088 4.835 715 HD21 LEU 101 1HD2 LEU 101 -1.198 6.944 1.702 716 HD22 LEU 101 2HD2 LEU 101 -0.282 5.753 0.747 717 HD23 LEU 101 3HD2 LEU 101 -1.865 5.316 1.433 718 H GLU 102 H GLU 102 2.623 2.313 4.948 719 HA GLU 102 HA GLU 102 5.179 2.126 3.635 720 HB2 GLU 102 1HB GLU 102 4.845 1.719 6.128 721 HB3 GLU 102 2HB GLU 102 3.965 0.260 5.717 722 HG2 GLU 102 1HG GLU 102 5.892 -0.890 5.375 723 HG3 GLU 102 2HG GLU 102 6.472 0.313 4.240 724 H ILE 103 H ILE 103 5.151 1.268 1.594 725 HA ILE 103 HA ILE 103 3.235 -0.874 1.065 726 HB ILE 103 HB ILE 103 4.876 0.845 -0.799 727 HG12 ILE 103 1HG1 ILE 103 2.993 1.949 0.509 728 HG13 ILE 103 2HG1 ILE 103 2.939 2.093 -1.236 729 HG21 ILE 103 1HG2 ILE 103 4.590 -1.172 -1.948 730 HG22 ILE 103 2HG2 ILE 103 2.951 -1.420 -1.301 731 HG23 ILE 103 3HG2 ILE 103 3.246 -0.150 -2.512 732 HD11 ILE 103 1HD1 ILE 103 1.394 0.055 -1.268 733 HD12 ILE 103 2HD1 ILE 103 1.319 0.189 0.506 734 HD13 ILE 103 3HD1 ILE 103 0.710 1.515 -0.514 735 H GLU 104 H GLU 104 4.064 -2.709 -0.357 736 HA GLU 104 HA GLU 104 6.856 -3.250 0.253 737 HB2 GLU 104 1HB GLU 104 5.868 -4.580 1.908 738 HB3 GLU 104 2HB GLU 104 4.441 -4.914 0.947 739 HG2 GLU 104 1HG GLU 104 5.479 -6.619 -0.273 740 HG3 GLU 104 2HG GLU 104 7.077 -5.919 -0.108 741 H PHE 105 H PHE 105 8.010 -4.166 -1.445 742 HA PHE 105 HA PHE 105 6.431 -5.156 -3.701 743 HB2 PHE 105 1HB PHE 105 8.259 -3.922 -5.101 744 HB3 PHE 105 2HB PHE 105 7.068 -2.897 -4.325 745 HD1 PHE 105 2HD PHE 105 7.720 -1.968 -1.974 746 HD2 PHE 105 1HD PHE 105 10.518 -3.497 -4.775 747 HE1 PHE 105 2HE PHE 105 9.558 -0.697 -0.832 748 HE2 PHE 105 1HE PHE 105 12.356 -2.226 -3.632 749 HZ PHE 105 HZ PHE 105 11.854 -0.841 -1.674 750 H ASP 106 H ASP 106 8.136 -6.135 -5.411 751 HA ASP 106 HA ASP 106 9.801 -7.873 -3.786 752 HB2 ASP 106 1HB ASP 106 9.190 -8.342 -6.713 753 HB3 ASP 106 2HB ASP 106 9.545 -9.525 -5.470 754 H VAL 107 H VAL 107 11.967 -8.515 -4.816 755 HA VAL 107 HA VAL 107 12.959 -6.450 -6.646 756 HB VAL 107 HB VAL 107 14.357 -7.499 -4.178 757 HG11 VAL 107 1HG1 VAL 107 16.261 -6.454 -4.830 758 HG12 VAL 107 2HG1 VAL 107 15.579 -6.692 -6.456 759 HG13 VAL 107 3HG1 VAL 107 15.389 -5.126 -5.632 760 HG21 VAL 107 1HG2 VAL 107 12.851 -4.956 -4.750 761 HG22 VAL 107 2HG2 VAL 107 12.793 -6.010 -3.317 762 HG23 VAL 107 3HG2 VAL 107 14.203 -4.959 -3.592 763 H ALA 108 H ALA 108 14.439 -7.180 -8.205 764 HA ALA 108 HA ALA 108 14.271 -9.940 -8.803 765 HB1 ALA 108 1HB ALA 108 14.766 -7.605 -10.186 766 HB2 ALA 108 2HB ALA 108 16.377 -8.360 -10.140 767 HB3 ALA 108 3HB ALA 108 14.998 -9.246 -10.833 768 H GLU 109 H GLU 109 15.849 -11.576 -8.663 769 HA GLU 109 HA GLU 109 17.885 -10.978 -6.695 770 HB2 GLU 109 1HB GLU 109 16.700 -13.575 -7.748 771 HB3 GLU 109 2HB GLU 109 18.115 -13.554 -6.714 772 HG2 GLU 109 1HG GLU 109 16.119 -11.820 -5.539 773 HG3 GLU 109 2HG GLU 109 15.349 -13.341 -5.945 774 H SER 110 H SER 110 20.062 -12.240 -7.035 775 HA SER 110 HA SER 110 20.809 -11.788 -9.812 776 HB2 SER 110 1HB SER 110 22.462 -11.733 -7.252 777 HB3 SER 110 2HB SER 110 23.166 -11.627 -8.853 778 HG SER 110 HG SER 110 22.614 -9.562 -8.962 779 H VAL 111 H VAL 111 20.518 -13.795 -10.808 780 HA VAL 111 HA VAL 111 22.038 -16.003 -9.611 781 HB VAL 111 HB VAL 111 19.278 -16.040 -10.837 782 HG11 VAL 111 1HG1 VAL 111 21.250 -18.012 -11.150 783 HG12 VAL 111 2HG1 VAL 111 20.196 -18.610 -9.846 784 HG13 VAL 111 3HG1 VAL 111 19.501 -18.183 -11.428 785 HG21 VAL 111 1HG2 VAL 111 19.727 -17.441 -8.303 786 HG22 VAL 111 2HG2 VAL 111 20.080 -15.698 -8.207 787 HG23 VAL 111 3HG2 VAL 111 18.479 -16.254 -8.752 788 H ILE 112 H ILE 112 23.352 -17.135 -11.024 789 HA ILE 112 HA ILE 112 24.074 -15.885 -13.401 790 HB ILE 112 HB ILE 112 25.292 -18.068 -13.806 791 HG12 ILE 112 1HG1 ILE 112 24.718 -18.871 -11.000 792 HG13 ILE 112 2HG1 ILE 112 23.459 -19.198 -12.175 793 HG21 ILE 112 1HG2 ILE 112 25.987 -15.930 -12.410 794 HG22 ILE 112 2HG2 ILE 112 25.950 -17.090 -11.061 795 HG23 ILE 112 3HG2 ILE 112 27.008 -17.387 -12.461 796 HD11 ILE 112 1HD1 ILE 112 24.640 -20.902 -13.097 797 HD12 ILE 112 2HD1 ILE 112 26.100 -19.894 -13.246 798 HD13 ILE 112 3HD1 ILE 112 25.760 -20.749 -11.722 799 HA PRO 113 HA PRO 113 21.140 -17.389 -16.191 800 HB2 PRO 113 1HB PRO 113 22.434 -16.950 -18.558 801 HB3 PRO 113 2HB PRO 113 21.590 -15.691 -17.680 802 HG2 PRO 113 1HG PRO 113 24.500 -16.155 -17.914 803 HG3 PRO 113 2HG PRO 113 23.656 -14.701 -17.417 804 HD2 PRO 113 1HD PRO 113 25.002 -16.573 -15.710 805 HD3 PRO 113 2HD PRO 113 24.061 -15.183 -15.206 806 H SER 114 H SER 114 20.963 -19.543 -15.533 807 HA SER 114 HA SER 114 22.907 -21.353 -16.473 808 HB2 SER 114 1HB SER 114 21.603 -21.747 -14.406 809 HB3 SER 114 2HB SER 114 20.116 -21.816 -15.332 810 HG SER 114 HG SER 114 22.283 -23.587 -15.984 811 H SER 115 H SER 115 19.345 -21.032 -17.192 812 HA SER 115 HA SER 115 19.434 -22.717 -19.379 813 HB2 SER 115 1HB SER 115 17.514 -20.523 -18.526 814 HB3 SER 115 2HB SER 115 17.239 -21.449 -19.988 815 HG SER 115 HG SER 115 16.335 -22.177 -17.729 816 H GLY 116 H GLY 116 19.206 -22.177 -21.712 817 HA2 GLY 116 1HA GLY 116 19.211 -20.126 -23.210 818 HA3 GLY 116 2HA GLY 116 20.694 -19.713 -22.373 819 H SER 117 H SER 117 20.852 -20.008 -25.096 820 HA SER 117 HA SER 117 21.972 -21.001 -26.666 821 HB2 SER 117 1HB SER 117 23.160 -22.584 -24.352 822 HB3 SER 117 2HB SER 117 23.727 -22.751 -26.001 823 HG SER 117 HG SER 117 23.637 -20.241 -24.557 824 H GLY 118 H GLY 118 22.035 -22.988 -28.047 825 HA2 GLY 118 1HA GLY 118 21.145 -25.477 -27.494 826 HA3 GLY 118 2HA GLY 118 19.652 -24.571 -27.648 827 HA PRO 119 HA PRO 119 21.608 -25.511 -31.811 828 HB2 PRO 119 1HB PRO 119 20.857 -28.078 -32.371 829 HB3 PRO 119 2HB PRO 119 22.448 -27.655 -31.772 830 HG2 PRO 119 1HG PRO 119 20.199 -28.915 -30.327 831 HG3 PRO 119 2HG PRO 119 21.897 -28.872 -29.893 832 HD2 PRO 119 1HD PRO 119 19.793 -27.290 -28.752 833 HD3 PRO 119 2HD PRO 119 21.506 -27.166 -28.402 834 H SER 120 H SER 120 20.582 -24.871 -33.638 835 HA SER 120 HA SER 120 17.702 -24.893 -33.312 836 HB2 SER 120 1HB SER 120 17.681 -23.120 -35.013 837 HB3 SER 120 2HB SER 120 18.802 -22.709 -33.731 838 HG SER 120 HG SER 120 20.560 -23.449 -35.085 839 H SER 121 H SER 121 16.305 -25.562 -35.113 840 HA SER 121 HA SER 121 17.696 -27.082 -37.158 841 HB2 SER 121 1HB SER 121 16.310 -29.024 -36.858 842 HB3 SER 121 2HB SER 121 16.941 -28.611 -35.276 843 HG SER 121 HG SER 121 14.828 -27.341 -35.043 844 H GLY 122 H GLY 122 16.412 -27.367 -39.145 845 HA2 GLY 122 1HA GLY 122 15.025 -25.158 -39.987 846 HA3 GLY 122 2HA GLY 122 14.908 -26.753 -40.702 Start of MODEL 7 1 H1 GLY 1 H GLY 1 32.841 -33.300 11.531 2 HA2 GLY 1 1HA GLY 1 32.561 -34.903 9.872 3 HA3 GLY 1 2HA GLY 1 32.083 -36.089 11.071 4 H SER 2 H SER 2 30.818 -34.825 8.478 5 HA SER 2 HA SER 2 28.207 -35.189 9.239 6 HB2 SER 2 1HB SER 2 29.020 -32.727 10.183 7 HB3 SER 2 2HB SER 2 28.379 -32.284 8.613 8 HG SER 2 HG SER 2 26.352 -33.115 9.162 9 H SER 3 H SER 3 26.727 -34.914 7.375 10 HA SER 3 HA SER 3 28.268 -34.725 4.918 11 HB2 SER 3 1HB SER 3 25.676 -36.128 5.645 12 HB3 SER 3 2HB SER 3 26.111 -35.854 3.970 13 HG SER 3 HG SER 3 28.018 -37.062 5.745 14 H GLY 4 H GLY 4 24.990 -33.904 6.279 15 HA2 GLY 4 1HA GLY 4 24.176 -32.198 4.233 16 HA3 GLY 4 2HA GLY 4 23.604 -32.180 5.889 17 H SER 5 H SER 5 24.209 -29.912 3.994 18 HA SER 5 HA SER 5 26.516 -28.721 5.245 19 HB2 SER 5 1HB SER 5 26.469 -27.125 3.498 20 HB3 SER 5 2HB SER 5 25.962 -28.611 2.721 21 HG SER 5 HG SER 5 24.008 -27.791 2.346 22 H SER 6 H SER 6 23.106 -27.674 4.479 23 HA SER 6 HA SER 6 22.554 -26.990 7.114 24 HB2 SER 6 1HB SER 6 24.233 -25.153 6.485 25 HB3 SER 6 2HB SER 6 23.043 -24.562 5.342 26 HG SER 6 HG SER 6 22.363 -24.975 8.112 27 H GLY 7 H GLY 7 20.426 -25.537 7.149 28 HA2 GLY 7 1HA GLY 7 18.387 -26.749 5.890 29 HA3 GLY 7 2HA GLY 7 18.366 -25.055 6.336 30 H ALA 8 H ALA 8 20.013 -23.736 4.644 31 HA ALA 8 HA ALA 8 20.187 -22.896 2.605 32 HB1 ALA 8 1HB ALA 8 19.527 -25.543 1.332 33 HB2 ALA 8 2HB ALA 8 20.768 -24.347 0.887 34 HB3 ALA 8 3HB ALA 8 21.011 -25.396 2.304 35 H GLY 9 H GLY 9 18.846 -21.778 1.174 36 HA2 GLY 9 1HA GLY 9 16.375 -22.697 0.231 37 HA3 GLY 9 2HA GLY 9 16.085 -21.796 1.706 38 H GLN 10 H GLN 10 16.788 -21.609 -1.687 39 HA GLN 10 HA GLN 10 17.597 -18.849 -1.497 40 HB2 GLN 10 1HB GLN 10 17.831 -19.044 -3.998 41 HB3 GLN 10 2HB GLN 10 18.808 -20.194 -3.107 42 HG2 GLN 10 1HG GLN 10 16.230 -21.407 -3.541 43 HG3 GLN 10 2HG GLN 10 16.752 -20.725 -5.068 44 HE21 GLN 10 1HE2 GLN 10 18.317 -21.662 -6.214 45 HE22 GLN 10 2HE2 GLN 10 19.221 -23.062 -5.742 46 H VAL 11 H VAL 11 16.282 -17.093 -1.973 47 HA VAL 11 HA VAL 11 13.881 -17.409 -3.464 48 HB VAL 11 HB VAL 11 13.231 -18.391 -1.285 49 HG11 VAL 11 1HG1 VAL 11 14.285 -15.781 -0.294 50 HG12 VAL 11 2HG1 VAL 11 12.828 -16.430 0.496 51 HG13 VAL 11 3HG1 VAL 11 14.323 -17.395 0.456 52 HG21 VAL 11 1HG2 VAL 11 11.121 -17.454 -1.307 53 HG22 VAL 11 2HG2 VAL 11 11.737 -15.797 -1.514 54 HG23 VAL 11 3HG2 VAL 11 11.740 -16.926 -2.890 55 H VAL 12 H VAL 12 12.613 -15.204 -3.362 56 HA VAL 12 HA VAL 12 14.638 -13.167 -3.677 57 HB VAL 12 HB VAL 12 12.819 -13.641 -5.331 58 HG11 VAL 12 1HG1 VAL 12 10.625 -12.317 -4.642 59 HG12 VAL 12 2HG1 VAL 12 10.839 -14.036 -4.233 60 HG13 VAL 12 3HG1 VAL 12 11.140 -12.784 -3.003 61 HG21 VAL 12 1HG2 VAL 12 12.760 -10.812 -4.236 62 HG22 VAL 12 2HG2 VAL 12 14.099 -11.485 -5.197 63 HG23 VAL 12 3HG2 VAL 12 12.477 -11.335 -5.914 64 H HIS 13 H HIS 13 14.189 -10.920 -2.782 65 HA HIS 13 HA HIS 13 13.135 -11.225 -0.065 66 HB2 HIS 13 1HB HIS 13 14.696 -9.472 0.604 67 HB3 HIS 13 2HB HIS 13 15.531 -10.848 -0.090 68 HD1 HIS 13 1HD HIS 13 16.476 -10.527 -2.592 69 HD2 HIS 13 2HD HIS 13 15.131 -7.047 -0.675 70 HE1 HIS 13 1HE HIS 13 17.429 -8.567 -3.918 71 H THR 14 H THR 14 12.238 -9.115 0.874 72 HA THR 14 HA THR 14 11.020 -7.472 -1.236 73 HB THR 14 HB THR 14 8.955 -7.618 0.462 74 HG1 THR 14 1HG THR 14 9.084 -9.903 1.333 75 HG21 THR 14 1HG2 THR 14 8.038 -9.528 -0.761 76 HG22 THR 14 2HG2 THR 14 8.995 -8.568 -1.915 77 HG23 THR 14 3HG2 THR 14 9.668 -10.067 -1.230 78 H GLU 15 H GLU 15 10.833 -5.304 -0.805 79 HA GLU 15 HA GLU 15 11.883 -4.532 1.806 80 HB2 GLU 15 1HB GLU 15 12.414 -3.386 -0.952 81 HB3 GLU 15 2HB GLU 15 12.650 -2.406 0.481 82 HG2 GLU 15 1HG GLU 15 14.013 -4.566 1.320 83 HG3 GLU 15 2HG GLU 15 14.149 -4.873 -0.400 84 H THR 16 H THR 16 11.000 -2.542 2.742 85 HA THR 16 HA THR 16 8.293 -2.012 1.729 86 HB THR 16 HB THR 16 8.445 -0.948 4.276 87 HG1 THR 16 1HG THR 16 9.726 -2.737 5.363 88 HG21 THR 16 1HG2 THR 16 6.722 -2.595 3.657 89 HG22 THR 16 2HG2 THR 16 7.956 -3.866 3.484 90 HG23 THR 16 3HG2 THR 16 7.586 -3.197 5.092 91 H THR 17 H THR 17 7.503 0.118 1.505 92 HA THR 17 HA THR 17 9.611 2.172 1.498 93 HB THR 17 HB THR 17 9.206 1.322 -0.816 94 HG1 THR 17 1HG THR 17 9.297 3.479 -1.314 95 HG21 THR 17 1HG2 THR 17 6.971 0.556 -0.979 96 HG22 THR 17 2HG2 THR 17 6.335 1.924 -0.035 97 HG23 THR 17 3HG2 THR 17 6.851 2.169 -1.720 98 H GLU 18 H GLU 18 8.896 4.352 1.840 99 HA GLU 18 HA GLU 18 6.292 4.386 3.156 100 HB2 GLU 18 1HB GLU 18 7.811 4.729 4.912 101 HB3 GLU 18 2HB GLU 18 8.942 5.616 3.909 102 HG2 GLU 18 1HG GLU 18 7.646 7.609 3.975 103 HG3 GLU 18 2HG GLU 18 6.181 6.759 4.427 104 H VAL 19 H VAL 19 4.800 5.563 2.044 105 HA VAL 19 HA VAL 19 5.791 7.567 0.171 106 HB VAL 19 HB VAL 19 4.181 5.663 -0.410 107 HG11 VAL 19 1HG1 VAL 19 2.064 7.507 0.703 108 HG12 VAL 19 2HG1 VAL 19 1.904 5.827 0.139 109 HG13 VAL 19 3HG1 VAL 19 2.744 6.176 1.668 110 HG21 VAL 19 1HG2 VAL 19 3.149 8.418 -1.113 111 HG22 VAL 19 2HG2 VAL 19 4.689 7.789 -1.745 112 HG23 VAL 19 3HG2 VAL 19 3.165 6.946 -2.113 113 H VAL 20 H VAL 20 5.325 9.755 0.348 114 HA VAL 20 HA VAL 20 3.929 10.506 2.824 115 HB VAL 20 HB VAL 20 6.339 10.971 2.820 116 HG11 VAL 20 1HG1 VAL 20 5.921 11.681 0.132 117 HG12 VAL 20 2HG1 VAL 20 6.342 13.198 0.964 118 HG13 VAL 20 3HG1 VAL 20 7.436 11.797 1.059 119 HG21 VAL 20 1HG2 VAL 20 6.132 13.498 3.223 120 HG22 VAL 20 2HG2 VAL 20 4.417 13.305 2.784 121 HG23 VAL 20 3HG2 VAL 20 5.082 12.427 4.183 122 H LEU 21 H LEU 21 1.929 11.287 2.430 123 HA LEU 21 HA LEU 21 1.580 12.789 -0.072 124 HB2 LEU 21 1HB LEU 21 -0.501 11.155 1.382 125 HB3 LEU 21 2HB LEU 21 -0.701 12.006 -0.136 126 HG LEU 21 HG LEU 21 1.302 9.768 0.202 127 HD11 LEU 21 1HD1 LEU 21 -0.253 8.180 0.053 128 HD12 LEU 21 2HD1 LEU 21 -1.434 9.439 0.487 129 HD13 LEU 21 3HD1 LEU 21 -1.138 9.048 -1.225 130 HD21 LEU 21 1HD2 LEU 21 1.646 11.259 -1.713 131 HD22 LEU 21 2HD2 LEU 21 1.172 9.623 -2.229 132 HD23 LEU 21 3HD2 LEU 21 -0.019 10.945 -2.259 133 H THR 22 H THR 22 0.772 14.849 0.072 134 HA THR 22 HA THR 22 0.303 15.815 2.800 135 HB THR 22 HB THR 22 0.676 17.503 0.295 136 HG1 THR 22 1HG THR 22 2.560 16.044 2.006 137 HG21 THR 22 1HG2 THR 22 0.222 18.417 2.737 138 HG22 THR 22 2HG2 THR 22 1.895 17.896 3.054 139 HG23 THR 22 3HG2 THR 22 1.565 19.117 1.801 140 H ALA 23 H ALA 23 -1.760 15.657 3.443 141 HA ALA 23 HA ALA 23 -3.968 15.294 1.979 142 HB1 ALA 23 1HB ALA 23 -3.765 17.136 4.395 143 HB2 ALA 23 2HB ALA 23 -5.205 16.241 3.854 144 HB3 ALA 23 3HB ALA 23 -3.789 15.358 4.472 145 H ASP 24 H ASP 24 -4.214 16.291 -0.012 146 HA ASP 24 HA ASP 24 -3.535 18.817 -0.650 147 HB2 ASP 24 1HB ASP 24 -5.109 16.704 -1.772 148 HB3 ASP 24 2HB ASP 24 -6.078 18.158 -1.911 149 HA PRO 25 HA PRO 25 -6.664 21.403 1.027 150 HB2 PRO 25 1HB PRO 25 -7.323 23.157 -0.963 151 HB3 PRO 25 2HB PRO 25 -5.866 23.303 0.000 152 HG2 PRO 25 1HG PRO 25 -6.157 22.374 -2.791 153 HG3 PRO 25 2HG PRO 25 -4.715 22.927 -1.963 154 HD2 PRO 25 1HD PRO 25 -5.420 20.210 -2.557 155 HD3 PRO 25 2HD PRO 25 -4.037 20.755 -1.629 156 H VAL 26 H VAL 26 -7.497 19.454 -1.595 157 HA VAL 26 HA VAL 26 -10.299 19.696 -0.762 158 HB VAL 26 HB VAL 26 -9.109 19.721 -3.520 159 HG11 VAL 26 1HG1 VAL 26 -11.290 19.209 -4.481 160 HG12 VAL 26 2HG1 VAL 26 -10.740 17.862 -3.455 161 HG13 VAL 26 3HG1 VAL 26 -11.981 18.989 -2.855 162 HG21 VAL 26 1HG2 VAL 26 -10.516 21.630 -3.860 163 HG22 VAL 26 2HG2 VAL 26 -11.392 21.331 -2.339 164 HG23 VAL 26 3HG2 VAL 26 -9.689 21.848 -2.299 165 H THR 27 H THR 27 -8.051 17.683 -2.799 166 HA THR 27 HA THR 27 -9.385 15.309 -1.721 167 HB THR 27 HB THR 27 -8.080 14.229 -3.650 168 HG1 THR 27 1HG THR 27 -6.493 15.642 -4.293 169 HG21 THR 27 1HG2 THR 27 -9.722 14.789 -5.179 170 HG22 THR 27 2HG2 THR 27 -10.455 15.636 -3.795 171 HG23 THR 27 3HG2 THR 27 -9.454 16.535 -4.960 172 H GLY 28 H GLY 28 -8.335 15.926 0.427 173 HA2 GLY 28 1HA GLY 28 -5.939 16.106 1.305 174 HA3 GLY 28 2HA GLY 28 -6.926 14.784 1.895 175 H PHE 29 H PHE 29 -6.621 12.617 1.059 176 HA PHE 29 HA PHE 29 -4.009 12.320 -0.237 177 HB2 PHE 29 1HB PHE 29 -5.705 10.299 1.337 178 HB3 PHE 29 2HB PHE 29 -4.012 10.125 0.922 179 HD1 PHE 29 1HD PHE 29 -2.699 12.490 1.736 180 HD2 PHE 29 2HD PHE 29 -5.993 10.571 3.599 181 HE1 PHE 29 1HE PHE 29 -2.054 13.517 3.934 182 HE2 PHE 29 2HE PHE 29 -5.349 11.598 5.797 183 HZ PHE 29 HZ PHE 29 -3.387 13.059 5.938 184 H GLY 30 H GLY 30 -7.476 11.675 -0.456 185 HA2 GLY 30 1HA GLY 30 -8.737 10.657 -2.014 186 HA3 GLY 30 2HA GLY 30 -7.501 11.147 -3.156 187 H ILE 31 H ILE 31 -8.060 8.636 -0.583 188 HA ILE 31 HA ILE 31 -7.067 6.655 -2.487 189 HB ILE 31 HB ILE 31 -6.187 6.731 0.396 190 HG12 ILE 31 1HG1 ILE 31 -4.530 7.535 -2.008 191 HG13 ILE 31 2HG1 ILE 31 -5.339 8.688 -0.966 192 HG21 ILE 31 1HG2 ILE 31 -6.322 4.560 -1.071 193 HG22 ILE 31 2HG2 ILE 31 -4.832 5.206 -1.800 194 HG23 ILE 31 3HG2 ILE 31 -4.898 4.881 -0.051 195 HD11 ILE 31 1HD1 ILE 31 -4.126 7.521 1.009 196 HD12 ILE 31 2HD1 ILE 31 -3.119 6.744 -0.236 197 HD13 ILE 31 3HD1 ILE 31 -3.131 8.517 -0.080 198 H GLN 32 H GLN 32 -7.951 4.530 -2.172 199 HA GLN 32 HA GLN 32 -10.162 4.514 -0.272 200 HB2 GLN 32 1HB GLN 32 -10.190 4.107 -3.208 201 HB3 GLN 32 2HB GLN 32 -11.019 2.845 -2.319 202 HG2 GLN 32 1HG GLN 32 -11.527 5.819 -1.853 203 HG3 GLN 32 2HG GLN 32 -12.462 4.854 -2.979 204 HE21 GLN 32 1HE2 GLN 32 -13.557 2.947 -2.165 205 HE22 GLN 32 2HE2 GLN 32 -14.185 2.928 -0.550 206 H LEU 33 H LEU 33 -10.558 2.513 0.794 207 HA LEU 33 HA LEU 33 -8.534 0.456 0.240 208 HB2 LEU 33 1HB LEU 33 -9.725 0.972 2.951 209 HB3 LEU 33 2HB LEU 33 -8.305 0.031 2.535 210 HG LEU 33 HG LEU 33 -8.248 2.942 1.882 211 HD11 LEU 33 1HD1 LEU 33 -9.033 3.397 3.973 212 HD12 LEU 33 2HD1 LEU 33 -8.476 1.847 4.648 213 HD13 LEU 33 3HD1 LEU 33 -7.310 3.160 4.355 214 HD21 LEU 33 1HD2 LEU 33 -6.427 0.934 1.693 215 HD22 LEU 33 2HD2 LEU 33 -6.019 2.661 1.835 216 HD23 LEU 33 3HD2 LEU 33 -6.009 1.623 3.281 217 H GLN 34 H GLN 34 -9.237 -1.785 0.837 218 HA GLN 34 HA GLN 34 -12.074 -2.017 0.232 219 HB2 GLN 34 1HB GLN 34 -11.347 -4.450 -0.354 220 HB3 GLN 34 2HB GLN 34 -10.899 -3.162 -1.454 221 HG2 GLN 34 1HG GLN 34 -8.641 -3.242 -0.866 222 HG3 GLN 34 2HG GLN 34 -8.970 -3.781 0.768 223 HE21 GLN 34 1HE2 GLN 34 -9.189 -5.917 1.239 224 HE22 GLN 34 2HE2 GLN 34 -8.852 -7.204 0.130 225 H GLY 35 H GLY 35 -13.464 -3.208 1.577 226 HA2 GLY 35 1HA GLY 35 -12.247 -4.154 4.102 227 HA3 GLY 35 2HA GLY 35 -13.823 -3.400 3.972 228 H SER 36 H SER 36 -15.409 -4.895 4.306 229 HA SER 36 HA SER 36 -15.322 -7.255 2.658 230 HB2 SER 36 1HB SER 36 -14.261 -8.078 4.682 231 HB3 SER 36 2HB SER 36 -15.474 -7.324 5.699 232 HG SER 36 HG SER 36 -16.413 -9.254 5.595 233 H VAL 37 H VAL 37 -17.510 -8.392 2.666 234 HA VAL 37 HA VAL 37 -19.557 -6.741 2.116 235 HB VAL 37 HB VAL 37 -21.030 -8.705 2.686 236 HG11 VAL 37 1HG1 VAL 37 -18.801 -8.578 0.773 237 HG12 VAL 37 2HG1 VAL 37 -19.383 -10.231 1.088 238 HG13 VAL 37 3HG1 VAL 37 -20.516 -8.982 0.515 239 HG21 VAL 37 1HG2 VAL 37 -20.136 -9.913 4.412 240 HG22 VAL 37 2HG2 VAL 37 -19.463 -10.835 3.047 241 HG23 VAL 37 3HG2 VAL 37 -18.458 -9.633 3.891 242 H PHE 38 H PHE 38 -19.029 -8.354 5.334 243 HA PHE 38 HA PHE 38 -20.386 -6.052 6.527 244 HB2 PHE 38 1HB PHE 38 -20.753 -9.065 7.018 245 HB3 PHE 38 2HB PHE 38 -21.375 -7.856 8.123 246 HD1 PHE 38 1HD PHE 38 -22.681 -5.878 6.650 247 HD2 PHE 38 2HD PHE 38 -22.382 -10.004 5.703 248 HE1 PHE 38 1HE PHE 38 -24.786 -5.719 5.292 249 HE2 PHE 38 2HE PHE 38 -24.487 -9.845 4.346 250 HZ PHE 38 HZ PHE 38 -25.664 -7.704 4.156 251 H ALA 39 H ALA 39 -17.537 -7.600 6.188 252 HA ALA 39 HA ALA 39 -15.794 -8.111 7.505 253 HB1 ALA 39 1HB ALA 39 -15.791 -5.624 7.223 254 HB2 ALA 39 2HB ALA 39 -16.641 -5.479 8.780 255 HB3 ALA 39 3HB ALA 39 -14.997 -6.157 8.724 256 H THR 40 H THR 40 -16.518 -10.016 8.580 257 HA THR 40 HA THR 40 -18.231 -10.226 10.670 258 HB THR 40 HB THR 40 -15.645 -11.662 9.933 259 HG1 THR 40 1HG THR 40 -17.634 -11.828 8.630 260 HG21 THR 40 1HG2 THR 40 -17.404 -12.015 12.346 261 HG22 THR 40 2HG2 THR 40 -17.012 -13.489 11.429 262 HG23 THR 40 3HG2 THR 40 -15.705 -12.490 12.110 263 H GLU 41 H GLU 41 -14.654 -10.058 11.243 264 HA GLU 41 HA GLU 41 -15.330 -8.456 13.585 265 HB2 GLU 41 1HB GLU 41 -13.610 -10.909 13.340 266 HB3 GLU 41 2HB GLU 41 -13.074 -9.662 14.448 267 HG2 GLU 41 1HG GLU 41 -15.560 -9.707 15.333 268 HG3 GLU 41 2HG GLU 41 -15.658 -11.253 14.514 269 H THR 42 H THR 42 -12.876 -9.352 11.097 270 HA THR 42 HA THR 42 -11.882 -6.599 11.247 271 HB THR 42 HB THR 42 -9.541 -7.539 11.114 272 HG1 THR 42 1HG THR 42 -10.855 -9.680 10.393 273 HG21 THR 42 1HG2 THR 42 -9.465 -8.592 13.428 274 HG22 THR 42 2HG2 THR 42 -10.311 -7.026 13.396 275 HG23 THR 42 3HG2 THR 42 -11.244 -8.541 13.455 276 H LEU 43 H LEU 43 -9.725 -7.991 9.323 277 HA LEU 43 HA LEU 43 -11.501 -8.059 6.992 278 HB2 LEU 43 1HB LEU 43 -10.655 -5.858 6.980 279 HB3 LEU 43 2HB LEU 43 -9.037 -6.382 7.402 280 HG LEU 43 HG LEU 43 -8.750 -7.403 5.200 281 HD11 LEU 43 1HD1 LEU 43 -11.216 -7.959 4.939 282 HD12 LEU 43 2HD1 LEU 43 -11.434 -6.279 4.390 283 HD13 LEU 43 3HD1 LEU 43 -10.367 -7.380 3.485 284 HD21 LEU 43 1HD2 LEU 43 -9.787 -4.581 4.857 285 HD22 LEU 43 2HD2 LEU 43 -8.230 -4.979 5.622 286 HD23 LEU 43 3HD2 LEU 43 -8.520 -5.410 3.920 287 H SER 44 H SER 44 -9.607 -9.816 8.955 288 HA SER 44 HA SER 44 -8.139 -11.441 8.741 289 HB2 SER 44 1HB SER 44 -10.354 -11.960 6.794 290 HB3 SER 44 2HB SER 44 -8.960 -13.014 6.669 291 HG SER 44 HG SER 44 -9.202 -13.412 9.022 292 H SER 45 H SER 45 -7.315 -8.998 7.320 293 HA SER 45 HA SER 45 -5.087 -9.857 6.088 294 HB2 SER 45 1HB SER 45 -7.325 -10.297 4.351 295 HB3 SER 45 2HB SER 45 -6.415 -8.960 3.676 296 HG SER 45 HG SER 45 -5.839 -11.472 3.325 297 HA PRO 46 HA PRO 46 -4.535 -5.540 5.942 298 HB2 PRO 46 1HB PRO 46 -2.718 -5.119 3.945 299 HB3 PRO 46 2HB PRO 46 -2.274 -5.702 5.537 300 HG2 PRO 46 1HG PRO 46 -2.453 -7.204 2.997 301 HG3 PRO 46 2HG PRO 46 -1.622 -7.643 4.476 302 HD2 PRO 46 1HD PRO 46 -4.126 -8.683 3.541 303 HD3 PRO 46 2HD PRO 46 -3.352 -9.035 5.073 304 HA PRO 47 HA PRO 47 -7.174 -3.662 3.200 305 HB2 PRO 47 1HB PRO 47 -6.732 -1.019 3.739 306 HB3 PRO 47 2HB PRO 47 -7.768 -2.037 4.720 307 HG2 PRO 47 1HG PRO 47 -5.042 -1.055 5.305 308 HG3 PRO 47 2HG PRO 47 -6.238 -1.697 6.413 309 HD2 PRO 47 1HD PRO 47 -3.923 -3.060 5.409 310 HD3 PRO 47 2HD PRO 47 -5.181 -3.739 6.423 311 H LEU 48 H LEU 48 -7.027 -3.766 1.058 312 HA LEU 48 HA LEU 48 -4.544 -2.749 -0.062 313 HB2 LEU 48 1HB LEU 48 -6.770 -4.206 -1.477 314 HB3 LEU 48 2HB LEU 48 -5.123 -3.964 -2.024 315 HG LEU 48 HG LEU 48 -5.729 -5.536 0.480 316 HD11 LEU 48 1HD1 LEU 48 -5.389 -7.554 -1.142 317 HD12 LEU 48 2HD1 LEU 48 -6.990 -6.794 -0.985 318 HD13 LEU 48 3HD1 LEU 48 -5.956 -6.410 -2.382 319 HD21 LEU 48 1HD2 LEU 48 -3.560 -6.573 0.016 320 HD22 LEU 48 2HD2 LEU 48 -3.383 -5.564 -1.439 321 HD23 LEU 48 3HD2 LEU 48 -3.420 -4.805 0.170 322 H ILE 49 H ILE 49 -4.473 -1.152 -1.725 323 HA ILE 49 HA ILE 49 -6.322 0.931 -1.344 324 HB ILE 49 HB ILE 49 -4.090 0.423 -3.294 325 HG12 ILE 49 1HG1 ILE 49 -4.414 2.332 -0.959 326 HG13 ILE 49 2HG1 ILE 49 -3.466 0.858 -0.965 327 HG21 ILE 49 1HG2 ILE 49 -4.875 1.963 -4.683 328 HG22 ILE 49 2HG2 ILE 49 -6.277 2.264 -3.628 329 HG23 ILE 49 3HG2 ILE 49 -4.761 3.159 -3.370 330 HD11 ILE 49 1HD1 ILE 49 -2.539 3.399 -1.662 331 HD12 ILE 49 2HD1 ILE 49 -1.722 1.860 -2.026 332 HD13 ILE 49 3HD1 ILE 49 -2.791 2.609 -3.237 333 H SER 50 H SER 50 -8.451 0.367 -1.773 334 HA SER 50 HA SER 50 -9.252 -1.205 -3.868 335 HB2 SER 50 1HB SER 50 -10.853 -0.827 -2.181 336 HB3 SER 50 2HB SER 50 -10.598 0.907 -2.180 337 HG SER 50 HG SER 50 -12.295 1.012 -3.472 338 H TYR 51 H TYR 51 -9.296 2.430 -3.617 339 HA TYR 51 HA TYR 51 -8.782 2.553 -6.483 340 HB2 TYR 51 1HB TYR 51 -11.238 2.665 -6.282 341 HB3 TYR 51 2HB TYR 51 -11.132 3.691 -4.865 342 HD1 TYR 51 1HD TYR 51 -10.439 3.641 -8.535 343 HD2 TYR 51 2HD TYR 51 -11.202 6.038 -5.074 344 HE1 TYR 51 1HE TYR 51 -10.661 5.704 -10.004 345 HE2 TYR 51 2HE TYR 51 -11.422 8.093 -6.555 346 HH TYR 51 HH TYR 51 -11.745 8.756 -8.672 347 H ILE 52 H ILE 52 -8.056 4.721 -7.183 348 HA ILE 52 HA ILE 52 -7.086 6.315 -4.915 349 HB ILE 52 HB ILE 52 -5.599 5.581 -7.439 350 HG12 ILE 52 1HG1 ILE 52 -4.749 4.960 -4.616 351 HG13 ILE 52 2HG1 ILE 52 -5.845 3.896 -5.473 352 HG21 ILE 52 1HG2 ILE 52 -3.885 7.024 -6.850 353 HG22 ILE 52 2HG2 ILE 52 -5.340 7.974 -6.466 354 HG23 ILE 52 3HG2 ILE 52 -4.437 7.165 -5.164 355 HD11 ILE 52 1HD1 ILE 52 -3.720 4.546 -7.291 356 HD12 ILE 52 2HD1 ILE 52 -2.983 4.098 -5.735 357 HD13 ILE 52 3HD1 ILE 52 -4.089 2.969 -6.553 358 H GLU 53 H GLU 53 -8.218 8.181 -4.917 359 HA GLU 53 HA GLU 53 -9.737 9.088 -6.964 360 HB2 GLU 53 1HB GLU 53 -8.680 10.158 -4.438 361 HB3 GLU 53 2HB GLU 53 -8.914 11.422 -5.630 362 HG2 GLU 53 1HG GLU 53 -11.008 11.234 -4.474 363 HG3 GLU 53 2HG GLU 53 -11.262 10.474 -6.033 364 H ALA 54 H ALA 54 -9.491 11.008 -8.415 365 HA ALA 54 HA ALA 54 -6.837 10.973 -9.594 366 HB1 ALA 54 1HB ALA 54 -8.257 12.486 -11.277 367 HB2 ALA 54 2HB ALA 54 -8.396 10.712 -11.278 368 HB3 ALA 54 3HB ALA 54 -9.621 11.699 -10.447 369 H ASP 55 H ASP 55 -6.018 13.184 -10.445 370 HA ASP 55 HA ASP 55 -5.102 15.076 -9.891 371 HB2 ASP 55 1HB ASP 55 -7.851 15.494 -10.077 372 HB3 ASP 55 2HB ASP 55 -7.479 16.226 -8.529 373 H SER 56 H SER 56 -5.281 12.875 -7.776 374 HA SER 56 HA SER 56 -5.257 14.519 -5.380 375 HB2 SER 56 1HB SER 56 -6.144 12.741 -4.287 376 HB3 SER 56 2HB SER 56 -6.452 12.064 -5.874 377 HG SER 56 HG SER 56 -4.923 10.586 -5.569 378 HA PRO 57 HA PRO 57 -0.974 13.901 -4.904 379 HB2 PRO 57 1HB PRO 57 -0.617 13.587 -2.213 380 HB3 PRO 57 2HB PRO 57 -0.878 15.146 -2.969 381 HG2 PRO 57 1HG PRO 57 -2.766 13.518 -1.380 382 HG3 PRO 57 2HG PRO 57 -2.850 15.223 -1.775 383 HD2 PRO 57 1HD PRO 57 -4.363 13.105 -2.980 384 HD3 PRO 57 2HD PRO 57 -4.361 14.793 -3.454 385 H ALA 58 H ALA 58 -3.032 11.394 -3.854 386 HA ALA 58 HA ALA 58 -0.935 9.536 -3.337 387 HB1 ALA 58 1HB ALA 58 -2.904 9.017 -2.218 388 HB2 ALA 58 2HB ALA 58 -3.935 9.484 -3.592 389 HB3 ALA 58 3HB ALA 58 -3.034 7.949 -3.636 390 H GLU 59 H GLU 59 -2.649 10.747 -6.172 391 HA GLU 59 HA GLU 59 -1.706 8.507 -7.735 392 HB2 GLU 59 1HB GLU 59 -4.060 9.529 -7.951 393 HB3 GLU 59 2HB GLU 59 -3.297 10.911 -8.713 394 HG2 GLU 59 1HG GLU 59 -3.941 9.489 -10.523 395 HG3 GLU 59 2HG GLU 59 -2.211 9.258 -10.362 396 H ARG 60 H ARG 60 -0.924 11.829 -6.919 397 HA ARG 60 HA ARG 60 0.395 12.611 -9.174 398 HB2 ARG 60 1HB ARG 60 0.368 13.350 -6.307 399 HB3 ARG 60 2HB ARG 60 1.913 13.682 -7.064 400 HG2 ARG 60 1HG ARG 60 -0.060 14.545 -8.934 401 HG3 ARG 60 2HG ARG 60 -0.618 15.100 -7.368 402 HD2 ARG 60 1HD ARG 60 1.962 15.835 -7.101 403 HD3 ARG 60 2HD ARG 60 1.908 15.827 -8.852 404 HE ARG 60 HE ARG 60 -0.381 17.231 -7.755 405 HH11 ARG 60 2HH2 ARG 60 3.053 17.580 -8.439 406 HH12 ARG 60 1HH2 ARG 60 2.980 19.305 -8.577 407 HH21 ARG 60 2HH1 ARG 60 -0.478 19.506 -7.938 408 HH22 ARG 60 1HH1 ARG 60 0.959 20.408 -8.290 409 H CYS 61 H CYS 61 1.715 10.957 -6.211 410 HA CYS 61 HA CYS 61 4.320 10.755 -7.134 411 HB2 CYS 61 1HB CYS 61 2.713 9.305 -5.048 412 HB3 CYS 61 2HB CYS 61 4.306 8.710 -5.469 413 HG CYS 61 HG CYS 61 4.565 11.795 -5.430 414 H GLY 62 H GLY 62 1.428 8.608 -7.435 415 HA2 GLY 62 1HA GLY 62 0.939 7.123 -9.085 416 HA3 GLY 62 2HA GLY 62 2.484 7.442 -9.847 417 H VAL 63 H VAL 63 3.381 6.942 -6.713 418 HA VAL 63 HA VAL 63 4.360 4.342 -7.260 419 HB VAL 63 HB VAL 63 5.294 4.490 -5.029 420 HG11 VAL 63 1HG1 VAL 63 6.210 5.828 -7.030 421 HG12 VAL 63 2HG1 VAL 63 5.532 7.259 -6.216 422 HG13 VAL 63 3HG1 VAL 63 6.775 6.277 -5.403 423 HG21 VAL 63 1HG2 VAL 63 3.192 6.564 -4.684 424 HG22 VAL 63 2HG2 VAL 63 3.872 5.408 -3.513 425 HG23 VAL 63 3HG2 VAL 63 4.765 6.893 -3.919 426 H LEU 64 H LEU 64 1.474 5.681 -5.708 427 HA LEU 64 HA LEU 64 0.834 3.193 -4.412 428 HB2 LEU 64 1HB LEU 64 -0.815 5.697 -4.779 429 HB3 LEU 64 2HB LEU 64 -1.188 4.353 -3.718 430 HG LEU 64 HG LEU 64 1.324 6.012 -3.425 431 HD11 LEU 64 1HD1 LEU 64 0.167 7.708 -2.593 432 HD12 LEU 64 2HD1 LEU 64 -1.354 6.863 -2.971 433 HD13 LEU 64 3HD1 LEU 64 -0.575 6.628 -1.388 434 HD21 LEU 64 1HD2 LEU 64 1.862 4.460 -1.934 435 HD22 LEU 64 2HD2 LEU 64 0.467 4.979 -0.959 436 HD23 LEU 64 3HD2 LEU 64 0.290 3.649 -2.129 437 H GLN 65 H GLN 65 0.324 1.484 -5.689 438 HA GLN 65 HA GLN 65 -1.179 2.051 -8.098 439 HB2 GLN 65 1HB GLN 65 0.872 0.639 -8.252 440 HB3 GLN 65 2HB GLN 65 0.157 -0.526 -7.155 441 HG2 GLN 65 1HG GLN 65 -1.281 -1.368 -8.756 442 HG3 GLN 65 2HG GLN 65 -1.540 0.195 -9.505 443 HE21 GLN 65 1HE2 GLN 65 -0.003 -2.777 -9.704 444 HE22 GLN 65 2HE2 GLN 65 1.104 -2.467 -11.000 445 H ILE 66 H ILE 66 -3.158 0.862 -8.611 446 HA ILE 66 HA ILE 66 -4.910 0.695 -6.448 447 HB ILE 66 HB ILE 66 -5.074 -0.291 -9.292 448 HG12 ILE 66 1HG1 ILE 66 -4.905 2.231 -8.608 449 HG13 ILE 66 2HG1 ILE 66 -6.053 1.714 -9.828 450 HG21 ILE 66 1HG2 ILE 66 -6.772 -1.573 -8.588 451 HG22 ILE 66 2HG2 ILE 66 -6.899 -0.731 -7.025 452 HG23 ILE 66 3HG2 ILE 66 -7.666 -0.038 -8.474 453 HD11 ILE 66 1HD1 ILE 66 -7.033 1.624 -7.000 454 HD12 ILE 66 2HD1 ILE 66 -6.755 3.240 -7.693 455 HD13 ILE 66 3HD1 ILE 66 -7.884 2.115 -8.485 456 H GLY 67 H GLY 67 -5.199 -0.839 -4.924 457 HA2 GLY 67 1HA GLY 67 -5.359 -2.910 -4.014 458 HA3 GLY 67 2HA GLY 67 -4.965 -3.629 -5.563 459 H ASP 68 H ASP 68 -3.217 -1.323 -3.353 460 HA ASP 68 HA ASP 68 -0.804 -2.760 -3.863 461 HB2 ASP 68 1HB ASP 68 -1.551 -0.302 -2.241 462 HB3 ASP 68 2HB ASP 68 0.043 -1.012 -2.082 463 H ARG 69 H ARG 69 0.606 -2.783 -1.497 464 HA ARG 69 HA ARG 69 -1.149 -4.204 0.341 465 HB2 ARG 69 1HB ARG 69 1.214 -5.432 0.848 466 HB3 ARG 69 2HB ARG 69 0.104 -6.020 -0.375 467 HG2 ARG 69 1HG ARG 69 2.191 -3.939 -1.099 468 HG3 ARG 69 2HG ARG 69 2.640 -5.630 -1.001 469 HD2 ARG 69 1HD ARG 69 0.399 -5.893 -2.519 470 HD3 ARG 69 2HD ARG 69 0.830 -4.255 -2.970 471 HE ARG 69 HE ARG 69 2.326 -6.701 -3.612 472 HH11 ARG 69 2HH2 ARG 69 2.470 -3.195 -3.346 473 HH12 ARG 69 1HH2 ARG 69 3.827 -3.042 -4.412 474 HH21 ARG 69 2HH1 ARG 69 4.115 -6.499 -5.019 475 HH22 ARG 69 1HH1 ARG 69 4.769 -4.934 -5.371 476 H VAL 70 H VAL 70 -1.371 -2.396 1.767 477 HA VAL 70 HA VAL 70 1.000 -1.016 2.642 478 HB VAL 70 HB VAL 70 -1.262 0.014 2.203 479 HG11 VAL 70 1HG1 VAL 70 -3.083 -0.347 3.539 480 HG12 VAL 70 2HG1 VAL 70 -2.325 -1.952 3.668 481 HG13 VAL 70 3HG1 VAL 70 -2.100 -0.755 4.965 482 HG21 VAL 70 1HG2 VAL 70 -0.836 1.735 3.672 483 HG22 VAL 70 2HG2 VAL 70 -0.474 0.640 5.027 484 HG23 VAL 70 3HG2 VAL 70 0.720 0.874 3.729 485 H MET 71 H MET 71 2.362 -2.071 4.004 486 HA MET 71 HA MET 71 1.393 -4.117 5.693 487 HB2 MET 71 1HB MET 71 4.086 -2.683 5.905 488 HB3 MET 71 2HB MET 71 3.735 -4.349 6.319 489 HG2 MET 71 1HG MET 71 2.977 -4.247 3.637 490 HG3 MET 71 2HG MET 71 4.346 -3.154 3.670 491 HE1 MET 71 1HE MET 71 2.974 -6.145 5.279 492 HE2 MET 71 2HE MET 71 3.987 -7.493 4.711 493 HE3 MET 71 3HE MET 71 4.415 -6.627 6.206 494 H ALA 72 H ALA 72 2.038 -0.641 6.009 495 HA ALA 72 HA ALA 72 0.784 -0.665 8.596 496 HB1 ALA 72 1HB ALA 72 2.684 0.492 9.710 497 HB2 ALA 72 2HB ALA 72 3.101 -1.167 9.220 498 HB3 ALA 72 3HB ALA 72 3.681 0.216 8.262 499 H ILE 73 H ILE 73 0.450 1.653 9.365 500 HA ILE 73 HA ILE 73 0.647 3.562 7.165 501 HB ILE 73 HB ILE 73 -1.885 2.766 8.596 502 HG12 ILE 73 1HG1 ILE 73 -1.074 2.795 5.675 503 HG13 ILE 73 2HG1 ILE 73 -1.350 1.383 6.675 504 HG21 ILE 73 1HG2 ILE 73 -2.391 4.951 8.589 505 HG22 ILE 73 2HG2 ILE 73 -1.099 5.356 7.434 506 HG23 ILE 73 3HG2 ILE 73 -2.650 4.711 6.845 507 HD11 ILE 73 1HD1 ILE 73 -3.285 2.999 5.226 508 HD12 ILE 73 2HD1 ILE 73 -3.525 1.441 6.051 509 HD13 ILE 73 3HD1 ILE 73 -3.695 2.963 6.958 510 H ASN 74 H ASN 74 2.111 4.929 8.103 511 HA ASN 74 HA ASN 74 2.756 6.575 9.381 512 HB2 ASN 74 1HB ASN 74 -0.028 6.450 10.042 513 HB3 ASN 74 2HB ASN 74 0.816 6.555 11.575 514 HD21 ASN 74 1HD2 ASN 74 -0.429 8.243 8.994 515 HD22 ASN 74 2HD2 ASN 74 0.344 9.778 9.211 516 H GLY 75 H GLY 75 2.756 3.438 9.998 517 HA2 GLY 75 1HA GLY 75 4.488 2.574 11.424 518 HA3 GLY 75 2HA GLY 75 3.993 3.702 12.670 519 H ILE 76 H ILE 76 1.036 3.125 11.733 520 HA ILE 76 HA ILE 76 0.512 1.222 13.737 521 HB ILE 76 HB ILE 76 -1.117 2.561 11.599 522 HG12 ILE 76 1HG1 ILE 76 -0.326 3.803 13.647 523 HG13 ILE 76 2HG1 ILE 76 -2.058 3.804 13.376 524 HG21 ILE 76 1HG2 ILE 76 -3.118 1.538 12.821 525 HG22 ILE 76 2HG2 ILE 76 -2.216 0.493 11.697 526 HG23 ILE 76 3HG2 ILE 76 -1.966 0.338 13.453 527 HD11 ILE 76 1HD1 ILE 76 -1.856 3.306 15.684 528 HD12 ILE 76 2HD1 ILE 76 -2.111 1.709 14.940 529 HD13 ILE 76 3HD1 ILE 76 -0.474 2.216 15.420 530 HA PRO 77 HA PRO 77 1.189 -2.367 11.395 531 HB2 PRO 77 1HB PRO 77 0.384 -4.206 13.250 532 HB3 PRO 77 2HB PRO 77 1.987 -3.499 13.234 533 HG2 PRO 77 1HG PRO 77 -0.276 -2.919 15.045 534 HG3 PRO 77 2HG PRO 77 1.425 -2.557 15.263 535 HD2 PRO 77 1HD PRO 77 -0.640 -0.713 14.514 536 HD3 PRO 77 2HD PRO 77 1.076 -0.378 14.619 537 H THR 78 H THR 78 -0.043 -2.487 9.606 538 HA THR 78 HA THR 78 -2.887 -2.955 10.072 539 HB THR 78 HB THR 78 -2.813 -2.602 7.471 540 HG1 THR 78 1HG THR 78 -0.743 -2.247 6.756 541 HG21 THR 78 1HG2 THR 78 -2.041 -0.502 9.536 542 HG22 THR 78 2HG2 THR 78 -2.140 -0.079 7.810 543 HG23 THR 78 3HG2 THR 78 -3.582 -0.681 8.663 544 H GLU 79 H GLU 79 -2.957 -5.086 10.824 545 HA GLU 79 HA GLU 79 -3.113 -6.980 8.817 546 HB2 GLU 79 1HB GLU 79 -1.237 -8.489 9.438 547 HB3 GLU 79 2HB GLU 79 -0.661 -6.960 8.804 548 HG2 GLU 79 1HG GLU 79 -0.879 -6.432 11.539 549 HG3 GLU 79 2HG GLU 79 -0.357 -8.105 11.519 550 H ASP 80 H ASP 80 -4.745 -5.985 10.919 551 HA ASP 80 HA ASP 80 -5.614 -8.358 12.018 552 HB2 ASP 80 1HB ASP 80 -3.555 -8.038 13.461 553 HB3 ASP 80 2HB ASP 80 -4.225 -6.520 14.025 554 H SER 81 H SER 81 -5.185 -4.795 12.488 555 HA SER 81 HA SER 81 -7.477 -4.276 13.871 556 HB2 SER 81 1HB SER 81 -7.215 -2.039 12.269 557 HB3 SER 81 2HB SER 81 -6.332 -2.318 13.757 558 HG SER 81 HG SER 81 -4.509 -2.625 12.657 559 H THR 82 H THR 82 -9.187 -2.575 12.576 560 HA THR 82 HA THR 82 -10.376 -4.323 10.532 561 HB THR 82 HB THR 82 -12.485 -3.539 11.343 562 HG1 THR 82 1HG THR 82 -10.800 -1.489 12.603 563 HG21 THR 82 1HG2 THR 82 -10.747 -3.271 13.843 564 HG22 THR 82 2HG2 THR 82 -12.453 -3.772 13.757 565 HG23 THR 82 3HG2 THR 82 -11.177 -4.851 13.144 566 H PHE 83 H PHE 83 -11.276 -3.434 8.611 567 HA PHE 83 HA PHE 83 -9.683 -1.735 7.251 568 HB2 PHE 83 1HB PHE 83 -11.357 -2.924 6.032 569 HB3 PHE 83 2HB PHE 83 -12.609 -2.541 7.197 570 HD1 PHE 83 2HD PHE 83 -13.808 -0.419 7.083 571 HD2 PHE 83 1HD PHE 83 -10.816 -1.388 4.234 572 HE1 PHE 83 2HE PHE 83 -14.636 1.420 5.589 573 HE2 PHE 83 1HE PHE 83 -11.643 0.452 2.740 574 HZ PHE 83 HZ PHE 83 -13.543 1.834 3.435 575 H GLU 84 H GLU 84 -12.362 -0.897 9.474 576 HA GLU 84 HA GLU 84 -12.651 1.733 8.703 577 HB2 GLU 84 1HB GLU 84 -13.432 0.032 10.971 578 HB3 GLU 84 2HB GLU 84 -13.145 1.687 11.469 579 HG2 GLU 84 1HG GLU 84 -14.671 2.484 9.633 580 HG3 GLU 84 2HG GLU 84 -14.984 0.818 9.188 581 H GLU 85 H GLU 85 -10.297 0.128 10.870 582 HA GLU 85 HA GLU 85 -9.322 2.336 12.150 583 HB2 GLU 85 1HB GLU 85 -8.677 -0.387 11.970 584 HB3 GLU 85 2HB GLU 85 -7.221 0.410 11.407 585 HG2 GLU 85 1HG GLU 85 -8.539 1.520 13.878 586 HG3 GLU 85 2HG GLU 85 -7.703 -0.013 14.031 587 H ALA 86 H ALA 86 -7.757 0.717 9.284 588 HA ALA 86 HA ALA 86 -5.871 2.523 8.695 589 HB1 ALA 86 1HB ALA 86 -5.680 1.100 6.970 590 HB2 ALA 86 2HB ALA 86 -7.281 0.424 7.357 591 HB3 ALA 86 3HB ALA 86 -7.141 1.791 6.225 592 H ASN 87 H ASN 87 -9.351 2.726 7.691 593 HA ASN 87 HA ASN 87 -9.163 5.012 6.238 594 HB2 ASN 87 1HB ASN 87 -11.209 3.365 7.005 595 HB3 ASN 87 2HB ASN 87 -11.552 4.729 8.050 596 HD21 ASN 87 1HD2 ASN 87 -11.140 3.649 4.741 597 HD22 ASN 87 2HD2 ASN 87 -11.987 4.939 3.956 598 H GLN 88 H GLN 88 -9.746 4.536 9.792 599 HA GLN 88 HA GLN 88 -10.130 7.177 10.438 600 HB2 GLN 88 1HB GLN 88 -9.634 4.659 11.827 601 HB3 GLN 88 2HB GLN 88 -8.800 5.970 12.637 602 HG2 GLN 88 1HG GLN 88 -10.853 6.248 13.648 603 HG3 GLN 88 2HG GLN 88 -11.166 7.220 12.224 604 HE21 GLN 88 1HE2 GLN 88 -11.914 5.927 10.266 605 HE22 GLN 88 2HE2 GLN 88 -13.144 4.738 10.531 606 H LEU 89 H LEU 89 -7.101 5.229 10.193 607 HA LEU 89 HA LEU 89 -5.310 6.971 11.269 608 HB2 LEU 89 1HB LEU 89 -4.876 5.321 8.778 609 HB3 LEU 89 2HB LEU 89 -3.649 5.903 9.885 610 HG LEU 89 HG LEU 89 -5.669 3.708 10.290 611 HD11 LEU 89 1HD1 LEU 89 -3.710 2.827 9.412 612 HD12 LEU 89 2HD1 LEU 89 -2.671 3.944 10.329 613 HD13 LEU 89 3HD1 LEU 89 -3.494 2.606 11.165 614 HD21 LEU 89 1HD2 LEU 89 -4.772 3.628 12.691 615 HD22 LEU 89 2HD2 LEU 89 -4.276 5.317 12.426 616 HD23 LEU 89 3HD2 LEU 89 -5.992 4.863 12.299 617 H LEU 90 H LEU 90 -6.312 6.854 7.774 618 HA LEU 90 HA LEU 90 -4.913 9.045 6.935 619 HB2 LEU 90 1HB LEU 90 -7.602 7.990 6.060 620 HB3 LEU 90 2HB LEU 90 -6.721 9.238 5.201 621 HG LEU 90 HG LEU 90 -6.028 6.326 5.531 622 HD11 LEU 90 1HD1 LEU 90 -5.535 7.127 2.928 623 HD12 LEU 90 2HD1 LEU 90 -6.993 6.296 3.522 624 HD13 LEU 90 3HD1 LEU 90 -6.972 8.071 3.390 625 HD21 LEU 90 1HD2 LEU 90 -3.922 7.097 5.998 626 HD22 LEU 90 2HD2 LEU 90 -3.873 7.083 4.219 627 HD23 LEU 90 3HD2 LEU 90 -4.148 8.611 5.090 628 H ARG 91 H ARG 91 -8.341 8.993 8.148 629 HA ARG 91 HA ARG 91 -8.817 11.632 7.999 630 HB2 ARG 91 1HB ARG 91 -9.686 9.564 10.063 631 HB3 ARG 91 2HB ARG 91 -10.306 11.202 10.110 632 HG2 ARG 91 1HG ARG 91 -10.603 10.485 7.412 633 HG3 ARG 91 2HG ARG 91 -10.975 8.998 8.262 634 HD2 ARG 91 1HD ARG 91 -13.022 9.814 8.802 635 HD3 ARG 91 2HD ARG 91 -12.271 11.114 9.707 636 HE ARG 91 HE ARG 91 -13.338 11.270 6.969 637 HH11 ARG 91 2HH2 ARG 91 -11.268 12.781 9.381 638 HH12 ARG 91 1HH2 ARG 91 -11.342 14.348 8.648 639 HH21 ARG 91 2HH1 ARG 91 -13.436 13.338 6.002 640 HH22 ARG 91 1HH1 ARG 91 -12.583 14.667 6.713 641 H ASP 92 H ASP 92 -6.643 9.923 10.178 642 HA ASP 92 HA ASP 92 -6.537 12.107 12.029 643 HB2 ASP 92 1HB ASP 92 -6.175 9.476 12.394 644 HB3 ASP 92 2HB ASP 92 -4.522 9.854 11.954 645 H SER 93 H SER 93 -4.445 10.425 9.581 646 HA SER 93 HA SER 93 -2.164 11.845 9.900 647 HB2 SER 93 1HB SER 93 -3.337 10.937 7.235 648 HB3 SER 93 2HB SER 93 -1.642 11.236 7.566 649 HG SER 93 HG SER 93 -3.182 8.988 8.113 650 H SER 94 H SER 94 -5.261 12.880 8.587 651 HA SER 94 HA SER 94 -4.432 14.917 6.942 652 HB2 SER 94 1HB SER 94 -6.785 13.992 7.238 653 HB3 SER 94 2HB SER 94 -6.912 14.926 8.716 654 HG SER 94 HG SER 94 -6.019 16.533 6.664 655 H ILE 95 H ILE 95 -4.708 14.695 10.494 656 HA ILE 95 HA ILE 95 -4.747 17.327 11.209 657 HB ILE 95 HB ILE 95 -3.577 14.853 12.411 658 HG12 ILE 95 1HG1 ILE 95 -5.630 16.688 13.622 659 HG13 ILE 95 2HG1 ILE 95 -6.087 15.592 12.333 660 HG21 ILE 95 1HG2 ILE 95 -2.050 16.057 13.519 661 HG22 ILE 95 2HG2 ILE 95 -2.818 17.607 13.099 662 HG23 ILE 95 3HG2 ILE 95 -3.431 16.652 14.471 663 HD11 ILE 95 1HD1 ILE 95 -4.438 14.208 14.316 664 HD12 ILE 95 2HD1 ILE 95 -5.858 14.967 15.075 665 HD13 ILE 95 3HD1 ILE 95 -6.075 13.812 13.738 666 H THR 96 H THR 96 -1.676 15.386 11.093 667 HA THR 96 HA THR 96 -0.074 17.707 10.983 668 HB THR 96 HB THR 96 0.676 15.519 11.895 669 HG1 THR 96 1HG THR 96 2.700 15.614 10.686 670 HG21 THR 96 1HG2 THR 96 -0.565 14.169 10.005 671 HG22 THR 96 2HG2 THR 96 0.871 14.535 9.020 672 HG23 THR 96 3HG2 THR 96 1.038 13.597 10.524 673 H SER 97 H SER 97 -2.082 16.274 8.627 674 HA SER 97 HA SER 97 -2.416 16.780 6.537 675 HB2 SER 97 1HB SER 97 -0.750 19.003 7.413 676 HB3 SER 97 2HB SER 97 -0.381 18.609 5.746 677 HG SER 97 HG SER 97 -2.831 19.525 6.895 678 H LYS 98 H LYS 98 -0.412 14.753 7.546 679 HA LYS 98 HA LYS 98 0.744 14.171 4.966 680 HB2 LYS 98 1HB LYS 98 2.351 15.608 6.563 681 HB3 LYS 98 2HB LYS 98 2.688 14.021 7.223 682 HG2 LYS 98 1HG LYS 98 3.504 13.185 5.148 683 HG3 LYS 98 2HG LYS 98 2.706 14.437 4.218 684 HD2 LYS 98 1HD LYS 98 4.445 15.792 6.040 685 HD3 LYS 98 2HD LYS 98 5.371 14.453 5.390 686 HE2 LYS 98 1HE LYS 98 4.208 15.346 3.083 687 HE3 LYS 98 2HE LYS 98 4.252 16.851 3.980 688 HZ1 LYS 98 1HZ LYS 98 6.648 15.223 3.975 689 HZ2 LYS 98 2HZ LYS 98 6.282 16.034 2.606 690 HZ3 LYS 98 3HZ LYS 98 6.498 16.848 4.005 691 H VAL 99 H VAL 99 0.787 11.976 4.583 692 HA VAL 99 HA VAL 99 0.194 10.283 6.910 693 HB VAL 99 HB VAL 99 -1.812 10.642 5.588 694 HG11 VAL 99 1HG1 VAL 99 0.023 10.025 3.321 695 HG12 VAL 99 2HG1 VAL 99 -1.646 9.417 3.205 696 HG13 VAL 99 3HG1 VAL 99 -1.346 11.159 3.417 697 HG21 VAL 99 1HG2 VAL 99 -2.020 8.108 4.773 698 HG22 VAL 99 2HG2 VAL 99 -0.509 7.955 5.701 699 HG23 VAL 99 3HG2 VAL 99 -1.986 8.549 6.498 700 H THR 100 H THR 100 1.229 8.248 6.964 701 HA THR 100 HA THR 100 3.273 7.891 4.870 702 HB THR 100 HB THR 100 3.382 7.887 7.881 703 HG1 THR 100 1HG THR 100 4.406 9.547 6.627 704 HG21 THR 100 1HG2 THR 100 5.289 6.245 6.139 705 HG22 THR 100 2HG2 THR 100 5.362 6.453 7.905 706 HG23 THR 100 3HG2 THR 100 4.038 5.514 7.173 707 H LEU 101 H LEU 101 2.600 6.311 3.550 708 HA LEU 101 HA LEU 101 1.251 4.035 4.805 709 HB2 LEU 101 1HB LEU 101 1.354 4.831 1.894 710 HB3 LEU 101 2HB LEU 101 0.410 3.530 2.591 711 HG LEU 101 HG LEU 101 -1.131 5.248 2.240 712 HD11 LEU 101 1HD1 LEU 101 -1.738 6.086 4.533 713 HD12 LEU 101 2HD1 LEU 101 -1.500 4.327 4.402 714 HD13 LEU 101 3HD1 LEU 101 -0.233 5.345 5.127 715 HD21 LEU 101 1HD2 LEU 101 -0.523 7.354 1.922 716 HD22 LEU 101 2HD2 LEU 101 -0.111 7.519 3.646 717 HD23 LEU 101 3HD2 LEU 101 1.119 6.962 2.486 718 H GLU 102 H GLU 102 2.383 2.201 5.132 719 HA GLU 102 HA GLU 102 4.967 2.037 3.861 720 HB2 GLU 102 1HB GLU 102 4.879 1.672 6.281 721 HB3 GLU 102 2HB GLU 102 3.671 0.416 6.094 722 HG2 GLU 102 1HG GLU 102 5.261 -1.025 4.902 723 HG3 GLU 102 2HG GLU 102 6.457 0.255 4.854 724 H ILE 103 H ILE 103 4.974 1.134 1.841 725 HA ILE 103 HA ILE 103 3.110 -1.072 1.362 726 HB ILE 103 HB ILE 103 4.641 0.658 -0.583 727 HG12 ILE 103 1HG1 ILE 103 2.870 1.839 0.750 728 HG13 ILE 103 2HG1 ILE 103 2.630 1.850 -0.986 729 HG21 ILE 103 1HG2 ILE 103 2.934 -0.365 -2.199 730 HG22 ILE 103 2HG2 ILE 103 4.298 -1.383 -1.677 731 HG23 ILE 103 3HG2 ILE 103 2.689 -1.610 -0.951 732 HD11 ILE 103 1HD1 ILE 103 1.143 0.269 1.121 733 HD12 ILE 103 2HD1 ILE 103 0.492 1.268 -0.201 734 HD13 ILE 103 3HD1 ILE 103 1.198 -0.328 -0.555 735 H GLU 104 H GLU 104 4.031 -2.826 -0.171 736 HA GLU 104 HA GLU 104 6.857 -3.214 0.268 737 HB2 GLU 104 1HB GLU 104 6.181 -4.426 2.155 738 HB3 GLU 104 2HB GLU 104 4.670 -4.934 1.428 739 HG2 GLU 104 1HG GLU 104 5.655 -6.698 0.255 740 HG3 GLU 104 2HG GLU 104 7.204 -5.891 0.117 741 H PHE 105 H PHE 105 7.809 -3.997 -1.577 742 HA PHE 105 HA PHE 105 6.045 -5.381 -3.469 743 HB2 PHE 105 1HB PHE 105 7.514 -4.155 -5.215 744 HB3 PHE 105 2HB PHE 105 6.437 -3.115 -4.304 745 HD1 PHE 105 1HD PHE 105 7.449 -1.982 -2.191 746 HD2 PHE 105 2HD PHE 105 9.782 -3.657 -5.315 747 HE1 PHE 105 1HE PHE 105 9.404 -0.576 -1.484 748 HE2 PHE 105 2HE PHE 105 11.737 -2.251 -4.608 749 HZ PHE 105 HZ PHE 105 11.525 -0.727 -2.701 750 H ASP 106 H ASP 106 7.655 -6.313 -5.348 751 HA ASP 106 HA ASP 106 9.433 -8.002 -3.839 752 HB2 ASP 106 1HB ASP 106 9.610 -9.164 -6.160 753 HB3 ASP 106 2HB ASP 106 8.082 -9.268 -5.308 754 H VAL 107 H VAL 107 11.722 -8.165 -4.350 755 HA VAL 107 HA VAL 107 12.696 -6.066 -6.163 756 HB VAL 107 HB VAL 107 13.983 -7.065 -3.616 757 HG11 VAL 107 1HG1 VAL 107 15.134 -5.810 -5.822 758 HG12 VAL 107 2HG1 VAL 107 14.867 -4.487 -4.660 759 HG13 VAL 107 3HG1 VAL 107 15.818 -5.914 -4.181 760 HG21 VAL 107 1HG2 VAL 107 12.956 -4.272 -3.873 761 HG22 VAL 107 2HG2 VAL 107 11.770 -5.570 -3.594 762 HG23 VAL 107 3HG2 VAL 107 13.099 -5.315 -2.438 763 H ALA 108 H ALA 108 14.499 -6.602 -7.488 764 HA ALA 108 HA ALA 108 14.622 -9.391 -8.120 765 HB1 ALA 108 1HB ALA 108 15.033 -6.926 -9.436 766 HB2 ALA 108 2HB ALA 108 16.620 -7.732 -9.424 767 HB3 ALA 108 3HB ALA 108 15.207 -8.558 -10.124 768 H GLU 109 H GLU 109 16.233 -10.858 -7.637 769 HA GLU 109 HA GLU 109 18.397 -9.777 -6.005 770 HB2 GLU 109 1HB GLU 109 18.437 -11.985 -4.847 771 HB3 GLU 109 2HB GLU 109 16.903 -11.161 -4.653 772 HG2 GLU 109 1HG GLU 109 15.776 -12.843 -5.684 773 HG3 GLU 109 2HG GLU 109 16.846 -12.795 -7.071 774 H SER 110 H SER 110 20.437 -11.233 -6.052 775 HA SER 110 HA SER 110 21.204 -11.475 -8.724 776 HB2 SER 110 1HB SER 110 22.425 -11.727 -6.069 777 HB3 SER 110 2HB SER 110 23.065 -12.927 -7.174 778 HG SER 110 HG SER 110 24.340 -11.107 -7.463 779 H VAL 111 H VAL 111 20.097 -13.017 -9.950 780 HA VAL 111 HA VAL 111 20.356 -15.779 -8.990 781 HB VAL 111 HB VAL 111 18.059 -14.907 -8.687 782 HG11 VAL 111 1HG1 VAL 111 17.590 -14.927 -11.637 783 HG12 VAL 111 2HG1 VAL 111 16.768 -14.013 -10.351 784 HG13 VAL 111 3HG1 VAL 111 18.368 -13.491 -10.930 785 HG21 VAL 111 1HG2 VAL 111 18.554 -17.317 -9.133 786 HG22 VAL 111 2HG2 VAL 111 16.930 -16.807 -9.654 787 HG23 VAL 111 3HG2 VAL 111 18.224 -17.022 -10.857 788 H ILE 112 H ILE 112 21.137 -17.231 -10.491 789 HA ILE 112 HA ILE 112 22.506 -16.258 -12.688 790 HB ILE 112 HB ILE 112 22.529 -18.715 -13.357 791 HG12 ILE 112 1HG1 ILE 112 21.502 -19.385 -10.645 792 HG13 ILE 112 2HG1 ILE 112 20.305 -18.965 -11.855 793 HG21 ILE 112 1HG2 ILE 112 23.735 -19.184 -10.973 794 HG22 ILE 112 2HG2 ILE 112 24.462 -18.251 -12.304 795 HG23 ILE 112 3HG2 ILE 112 23.656 -17.406 -10.960 796 HD11 ILE 112 1HD1 ILE 112 20.554 -21.296 -12.144 797 HD12 ILE 112 2HD1 ILE 112 21.607 -20.628 -13.414 798 HD13 ILE 112 3HD1 ILE 112 22.316 -21.232 -11.898 799 HA PRO 113 HA PRO 113 19.022 -15.696 -15.300 800 HB2 PRO 113 1HB PRO 113 20.271 -14.122 -17.152 801 HB3 PRO 113 2HB PRO 113 19.518 -13.484 -15.705 802 HG2 PRO 113 1HG PRO 113 22.392 -13.843 -16.294 803 HG3 PRO 113 2HG PRO 113 21.640 -12.840 -15.069 804 HD2 PRO 113 1HD PRO 113 22.933 -15.368 -14.660 805 HD3 PRO 113 2HD PRO 113 22.080 -14.420 -13.458 806 H SER 114 H SER 114 18.378 -17.538 -16.240 807 HA SER 114 HA SER 114 20.140 -18.360 -18.413 808 HB2 SER 114 1HB SER 114 19.396 -19.847 -16.070 809 HB3 SER 114 2HB SER 114 18.592 -20.598 -17.435 810 HG SER 114 HG SER 114 21.149 -20.880 -16.716 811 H SER 115 H SER 115 19.122 -18.488 -20.396 812 HA SER 115 HA SER 115 16.498 -19.353 -20.677 813 HB2 SER 115 1HB SER 115 16.916 -16.390 -20.442 814 HB3 SER 115 2HB SER 115 15.831 -16.933 -21.707 815 HG SER 115 HG SER 115 14.357 -17.530 -20.248 816 H GLY 116 H GLY 116 16.944 -20.510 -22.526 817 HA2 GLY 116 1HA GLY 116 18.724 -19.341 -24.534 818 HA3 GLY 116 2HA GLY 116 18.191 -21.006 -24.423 819 H SER 117 H SER 117 15.455 -20.931 -24.312 820 HA SER 117 HA SER 117 13.706 -20.836 -25.595 821 HB2 SER 117 1HB SER 117 14.389 -18.187 -25.014 822 HB3 SER 117 2HB SER 117 14.129 -18.151 -26.747 823 HG SER 117 HG SER 117 12.198 -19.565 -25.220 824 H GLY 118 H GLY 118 12.867 -20.349 -27.988 825 HA2 GLY 118 1HA GLY 118 14.059 -19.837 -30.219 826 HA3 GLY 118 2HA GLY 118 15.014 -21.242 -29.791 827 HA PRO 119 HA PRO 119 10.633 -22.376 -31.231 828 HB2 PRO 119 1HB PRO 119 10.183 -21.375 -33.734 829 HB3 PRO 119 2HB PRO 119 9.538 -20.642 -32.278 830 HG2 PRO 119 1HG PRO 119 11.790 -19.739 -33.967 831 HG3 PRO 119 2HG PRO 119 10.870 -18.828 -32.786 832 HD2 PRO 119 1HD PRO 119 13.505 -19.908 -32.445 833 HD3 PRO 119 2HD PRO 119 12.538 -19.099 -31.228 834 H SER 120 H SER 120 9.950 -24.049 -32.781 835 HA SER 120 HA SER 120 12.243 -25.570 -33.380 836 HB2 SER 120 1HB SER 120 9.268 -25.913 -33.859 837 HB3 SER 120 2HB SER 120 10.411 -27.049 -34.547 838 HG SER 120 HG SER 120 9.641 -26.664 -31.858 839 H SER 121 H SER 121 12.454 -26.628 -35.686 840 HA SER 121 HA SER 121 11.627 -24.837 -37.777 841 HB2 SER 121 1HB SER 121 13.785 -23.875 -37.064 842 HB3 SER 121 2HB SER 121 14.562 -25.439 -37.205 843 HG SER 121 HG SER 121 13.998 -23.565 -39.172 844 H GLY 122 H GLY 122 11.965 -25.831 -39.966 845 HA2 GLY 122 1HA GLY 122 12.495 -28.732 -39.847 846 HA3 GLY 122 2HA GLY 122 11.025 -28.117 -40.576 Start of MODEL 8 1 H1 GLY 1 H GLY 1 39.452 -21.339 -6.600 2 HA2 GLY 1 1HA GLY 1 36.966 -20.680 -5.313 3 HA3 GLY 1 2HA GLY 1 37.179 -19.869 -6.852 4 H SER 2 H SER 2 35.591 -22.384 -5.627 5 HA SER 2 HA SER 2 35.211 -23.636 -8.030 6 HB2 SER 2 1HB SER 2 37.649 -24.484 -6.904 7 HB3 SER 2 2HB SER 2 36.528 -25.766 -6.493 8 HG SER 2 HG SER 2 37.585 -26.055 -8.593 9 H SER 3 H SER 3 33.983 -25.866 -7.641 10 HA SER 3 HA SER 3 32.344 -26.930 -6.700 11 HB2 SER 3 1HB SER 3 33.954 -27.418 -4.884 12 HB3 SER 3 2HB SER 3 33.525 -25.925 -4.073 13 HG SER 3 HG SER 3 31.792 -28.196 -4.552 14 H GLY 4 H GLY 4 30.142 -26.625 -5.808 15 HA2 GLY 4 1HA GLY 4 29.482 -23.818 -5.185 16 HA3 GLY 4 2HA GLY 4 28.631 -24.676 -6.455 17 H SER 5 H SER 5 26.632 -24.362 -5.210 18 HA SER 5 HA SER 5 26.186 -26.588 -3.509 19 HB2 SER 5 1HB SER 5 27.145 -24.585 -2.065 20 HB3 SER 5 2HB SER 5 25.536 -23.916 -2.247 21 HG SER 5 HG SER 5 25.719 -26.644 -1.451 22 H SER 6 H SER 6 23.742 -26.481 -2.709 23 HA SER 6 HA SER 6 22.001 -24.730 -3.944 24 HB2 SER 6 1HB SER 6 21.112 -25.941 -5.795 25 HB3 SER 6 2HB SER 6 22.851 -26.003 -5.999 26 HG SER 6 HG SER 6 21.742 -28.088 -6.307 27 H GLY 7 H GLY 7 19.934 -24.997 -3.020 28 HA2 GLY 7 1HA GLY 7 18.614 -27.219 -2.266 29 HA3 GLY 7 2HA GLY 7 19.742 -27.003 -0.943 30 H ALA 8 H ALA 8 17.577 -26.730 0.247 31 HA ALA 8 HA ALA 8 15.892 -24.593 -0.178 32 HB1 ALA 8 1HB ALA 8 16.728 -26.162 2.275 33 HB2 ALA 8 2HB ALA 8 15.519 -24.859 2.372 34 HB3 ALA 8 3HB ALA 8 15.219 -26.277 1.338 35 H GLY 9 H GLY 9 15.707 -22.778 1.716 36 HA2 GLY 9 1HA GLY 9 16.850 -21.180 2.988 37 HA3 GLY 9 2HA GLY 9 18.357 -21.614 2.207 38 H GLN 10 H GLN 10 17.826 -21.516 -0.503 39 HA GLN 10 HA GLN 10 18.044 -18.880 -1.072 40 HB2 GLN 10 1HB GLN 10 16.969 -21.116 -2.847 41 HB3 GLN 10 2HB GLN 10 17.487 -19.551 -3.442 42 HG2 GLN 10 1HG GLN 10 19.756 -20.000 -2.304 43 HG3 GLN 10 2HG GLN 10 19.204 -21.641 -2.033 44 HE21 GLN 10 1HE2 GLN 10 21.322 -20.325 -3.750 45 HE22 GLN 10 2HE2 GLN 10 21.116 -20.997 -5.333 46 H VAL 11 H VAL 11 16.655 -17.168 -1.579 47 HA VAL 11 HA VAL 11 13.940 -17.549 -2.213 48 HB VAL 11 HB VAL 11 13.858 -18.207 0.160 49 HG11 VAL 11 1HG1 VAL 11 14.180 -16.460 1.906 50 HG12 VAL 11 2HG1 VAL 11 15.686 -16.899 1.064 51 HG13 VAL 11 3HG1 VAL 11 14.850 -15.381 0.659 52 HG21 VAL 11 1HG2 VAL 11 12.011 -16.910 -1.120 53 HG22 VAL 11 2HG2 VAL 11 11.889 -17.048 0.650 54 HG23 VAL 11 3HG2 VAL 11 12.475 -15.538 -0.086 55 H VAL 12 H VAL 12 12.775 -15.291 -2.092 56 HA VAL 12 HA VAL 12 14.767 -13.352 -2.995 57 HB VAL 12 HB VAL 12 12.863 -14.132 -4.457 58 HG11 VAL 12 1HG1 VAL 12 11.062 -14.253 -2.868 59 HG12 VAL 12 2HG1 VAL 12 11.250 -12.535 -2.442 60 HG13 VAL 12 3HG1 VAL 12 10.662 -12.993 -4.059 61 HG21 VAL 12 1HG2 VAL 12 12.893 -11.151 -3.891 62 HG22 VAL 12 2HG2 VAL 12 14.169 -12.014 -4.783 63 HG23 VAL 12 3HG2 VAL 12 12.511 -11.961 -5.430 64 H HIS 13 H HIS 13 14.292 -11.002 -2.433 65 HA HIS 13 HA HIS 13 13.380 -10.915 0.349 66 HB2 HIS 13 1HB HIS 13 14.891 -9.033 0.656 67 HB3 HIS 13 2HB HIS 13 15.756 -10.452 0.100 68 HD1 HIS 13 1HD HIS 13 17.044 -10.279 -2.099 69 HD2 HIS 13 2HD HIS 13 14.593 -6.957 -1.353 70 HE1 HIS 13 1HE HIS 13 17.663 -8.527 -3.848 71 H THR 14 H THR 14 12.443 -8.712 1.003 72 HA THR 14 HA THR 14 10.971 -7.536 -1.258 73 HB THR 14 HB THR 14 9.111 -7.363 0.652 74 HG1 THR 14 1HG THR 14 10.715 -9.733 1.294 75 HG21 THR 14 1HG2 THR 14 8.691 -8.750 -1.331 76 HG22 THR 14 2HG2 THR 14 9.858 -9.971 -0.769 77 HG23 THR 14 3HG2 THR 14 8.330 -9.728 0.112 78 H GLU 15 H GLU 15 10.614 -5.320 -1.201 79 HA GLU 15 HA GLU 15 12.072 -4.001 0.955 80 HB2 GLU 15 1HB GLU 15 11.881 -3.403 -2.006 81 HB3 GLU 15 2HB GLU 15 12.235 -2.107 -0.880 82 HG2 GLU 15 1HG GLU 15 14.137 -3.531 0.048 83 HG3 GLU 15 2HG GLU 15 13.832 -4.685 -1.235 84 H THR 16 H THR 16 11.212 -1.907 1.698 85 HA THR 16 HA THR 16 8.341 -1.625 1.092 86 HB THR 16 HB THR 16 8.492 -0.653 3.594 87 HG1 THR 16 1HG THR 16 10.567 -2.711 3.395 88 HG21 THR 16 1HG2 THR 16 7.113 -2.579 3.379 89 HG22 THR 16 2HG2 THR 16 8.433 -3.557 2.694 90 HG23 THR 16 3HG2 THR 16 8.425 -3.164 4.430 91 H THR 17 H THR 17 7.518 0.405 0.704 92 HA THR 17 HA THR 17 9.546 2.543 0.606 93 HB THR 17 HB THR 17 8.881 1.682 -1.648 94 HG1 THR 17 1HG THR 17 9.263 3.938 -1.540 95 HG21 THR 17 1HG2 THR 17 6.458 2.438 -2.318 96 HG22 THR 17 2HG2 THR 17 6.630 0.891 -1.455 97 HG23 THR 17 3HG2 THR 17 6.108 2.347 -0.575 98 H GLU 18 H GLU 18 8.864 4.691 1.090 99 HA GLU 18 HA GLU 18 6.485 4.650 2.772 100 HB2 GLU 18 1HB GLU 18 8.311 5.182 4.171 101 HB3 GLU 18 2HB GLU 18 9.106 6.147 2.943 102 HG2 GLU 18 1HG GLU 18 7.536 7.961 3.197 103 HG3 GLU 18 2HG GLU 18 6.415 6.968 4.106 104 H VAL 19 H VAL 19 4.725 5.672 1.930 105 HA VAL 19 HA VAL 19 5.230 7.726 -0.100 106 HB VAL 19 HB VAL 19 2.641 6.287 0.469 107 HG11 VAL 19 1HG1 VAL 19 3.225 8.467 -1.139 108 HG12 VAL 19 2HG1 VAL 19 3.252 7.100 -2.278 109 HG13 VAL 19 3HG1 VAL 19 1.805 7.404 -1.286 110 HG21 VAL 19 1HG2 VAL 19 3.545 4.387 -0.281 111 HG22 VAL 19 2HG2 VAL 19 3.759 5.186 -1.858 112 HG23 VAL 19 3HG2 VAL 19 5.082 5.200 -0.667 113 H VAL 20 H VAL 20 5.116 9.790 0.599 114 HA VAL 20 HA VAL 20 3.453 10.303 2.958 115 HB VAL 20 HB VAL 20 5.808 11.751 1.742 116 HG11 VAL 20 1HG1 VAL 20 3.767 13.097 2.862 117 HG12 VAL 20 2HG1 VAL 20 4.663 12.660 4.337 118 HG13 VAL 20 3HG1 VAL 20 5.469 13.586 3.047 119 HG21 VAL 20 1HG2 VAL 20 5.538 9.708 3.747 120 HG22 VAL 20 2HG2 VAL 20 7.013 10.481 3.121 121 HG23 VAL 20 3HG2 VAL 20 6.152 11.198 4.503 122 H LEU 21 H LEU 21 1.395 10.681 2.197 123 HA LEU 21 HA LEU 21 1.132 12.418 -0.129 124 HB2 LEU 21 1HB LEU 21 -0.915 10.775 1.369 125 HB3 LEU 21 2HB LEU 21 -1.224 11.724 -0.072 126 HG LEU 21 HG LEU 21 -0.853 9.854 -1.220 127 HD11 LEU 21 1HD1 LEU 21 2.038 10.059 -0.343 128 HD12 LEU 21 2HD1 LEU 21 1.401 9.335 -1.840 129 HD13 LEU 21 3HD1 LEU 21 1.286 11.092 -1.582 130 HD21 LEU 21 1HD2 LEU 21 0.746 8.506 0.945 131 HD22 LEU 21 2HD2 LEU 21 -1.021 8.679 1.073 132 HD23 LEU 21 3HD2 LEU 21 -0.311 7.789 -0.295 133 H THR 22 H THR 22 1.402 14.534 0.449 134 HA THR 22 HA THR 22 0.643 15.526 2.990 135 HB THR 22 HB THR 22 1.026 17.221 0.499 136 HG1 THR 22 1HG THR 22 2.984 15.713 2.088 137 HG21 THR 22 1HG2 THR 22 1.016 17.743 3.278 138 HG22 THR 22 2HG2 THR 22 2.742 17.655 2.852 139 HG23 THR 22 3HG2 THR 22 1.676 18.810 2.016 140 H ALA 23 H ALA 23 -1.445 15.307 3.626 141 HA ALA 23 HA ALA 23 -3.692 15.179 2.239 142 HB1 ALA 23 1HB ALA 23 -3.471 15.164 4.720 143 HB2 ALA 23 2HB ALA 23 -3.299 16.935 4.696 144 HB3 ALA 23 3HB ALA 23 -4.822 16.182 4.166 145 H ASP 24 H ASP 24 -3.898 16.236 0.269 146 HA ASP 24 HA ASP 24 -3.134 18.831 -0.183 147 HB2 ASP 24 1HB ASP 24 -4.408 16.728 -1.604 148 HB3 ASP 24 2HB ASP 24 -5.516 18.080 -1.722 149 HA PRO 25 HA PRO 25 -6.517 21.171 1.346 150 HB2 PRO 25 1HB PRO 25 -6.904 23.136 -0.512 151 HB3 PRO 25 2HB PRO 25 -5.612 23.178 0.671 152 HG2 PRO 25 1HG PRO 25 -5.460 22.570 -2.218 153 HG3 PRO 25 2HG PRO 25 -4.171 23.030 -1.123 154 HD2 PRO 25 1HD PRO 25 -4.721 20.395 -2.116 155 HD3 PRO 25 2HD PRO 25 -3.506 20.837 -0.933 156 H VAL 26 H VAL 26 -6.945 19.155 -1.154 157 HA VAL 26 HA VAL 26 -9.829 19.455 -0.893 158 HB VAL 26 HB VAL 26 -8.245 19.644 -3.441 159 HG11 VAL 26 1HG1 VAL 26 -10.768 18.205 -3.021 160 HG12 VAL 26 2HG1 VAL 26 -10.878 19.476 -4.262 161 HG13 VAL 26 3HG1 VAL 26 -9.656 18.191 -4.410 162 HG21 VAL 26 1HG2 VAL 26 -9.682 21.549 -3.884 163 HG22 VAL 26 2HG2 VAL 26 -10.648 21.201 -2.430 164 HG23 VAL 26 3HG2 VAL 26 -8.953 21.719 -2.269 165 H THR 27 H THR 27 -7.193 17.594 -2.575 166 HA THR 27 HA THR 27 -8.631 15.144 -1.814 167 HB THR 27 HB THR 27 -7.151 14.179 -3.681 168 HG1 THR 27 1HG THR 27 -5.543 15.857 -3.672 169 HG21 THR 27 1HG2 THR 27 -9.285 16.253 -4.046 170 HG22 THR 27 2HG2 THR 27 -8.262 15.942 -5.468 171 HG23 THR 27 3HG2 THR 27 -9.179 14.610 -4.723 172 H GLY 28 H GLY 28 -7.791 15.609 0.435 173 HA2 GLY 28 1HA GLY 28 -5.419 15.801 1.464 174 HA3 GLY 28 2HA GLY 28 -6.475 14.502 1.980 175 H PHE 29 H PHE 29 -6.247 12.343 0.988 176 HA PHE 29 HA PHE 29 -3.553 11.988 -0.126 177 HB2 PHE 29 1HB PHE 29 -5.289 9.937 1.349 178 HB3 PHE 29 2HB PHE 29 -3.556 9.866 1.100 179 HD1 PHE 29 1HD PHE 29 -2.282 12.020 2.134 180 HD2 PHE 29 2HD PHE 29 -5.999 10.469 3.469 181 HE1 PHE 29 1HE PHE 29 -1.916 13.076 4.382 182 HE2 PHE 29 2HE PHE 29 -5.633 11.525 5.717 183 HZ PHE 29 HZ PHE 29 -3.596 12.816 6.146 184 H GLY 30 H GLY 30 -7.012 11.480 -0.497 185 HA2 GLY 30 1HA GLY 30 -8.245 10.465 -2.081 186 HA3 GLY 30 2HA GLY 30 -6.942 10.883 -3.175 187 H ILE 31 H ILE 31 -7.491 8.492 -0.480 188 HA ILE 31 HA ILE 31 -6.568 6.418 -2.335 189 HB ILE 31 HB ILE 31 -5.812 6.539 0.582 190 HG12 ILE 31 1HG1 ILE 31 -4.146 7.361 -1.816 191 HG13 ILE 31 2HG1 ILE 31 -4.815 8.449 -0.616 192 HG21 ILE 31 1HG2 ILE 31 -4.516 4.663 0.213 193 HG22 ILE 31 2HG2 ILE 31 -5.941 4.334 -0.801 194 HG23 ILE 31 3HG2 ILE 31 -4.437 4.927 -1.546 195 HD11 ILE 31 1HD1 ILE 31 -3.373 7.697 1.085 196 HD12 ILE 31 2HD1 ILE 31 -3.098 6.128 0.291 197 HD13 ILE 31 3HD1 ILE 31 -2.332 7.599 -0.356 198 H GLN 32 H GLN 32 -7.585 4.373 -2.094 199 HA GLN 32 HA GLN 32 -9.818 4.416 -0.222 200 HB2 GLN 32 1HB GLN 32 -9.821 4.024 -3.173 201 HB3 GLN 32 2HB GLN 32 -10.776 2.857 -2.280 202 HG2 GLN 32 1HG GLN 32 -11.094 5.719 -1.445 203 HG3 GLN 32 2HG GLN 32 -11.715 5.312 -3.033 204 HE21 GLN 32 1HE2 GLN 32 -13.678 4.538 -3.164 205 HE22 GLN 32 2HE2 GLN 32 -14.603 3.807 -1.896 206 H LEU 33 H LEU 33 -10.225 2.469 0.881 207 HA LEU 33 HA LEU 33 -8.315 0.320 0.275 208 HB2 LEU 33 1HB LEU 33 -9.545 0.887 2.965 209 HB3 LEU 33 2HB LEU 33 -8.218 -0.192 2.585 210 HG LEU 33 HG LEU 33 -7.994 2.780 2.117 211 HD11 LEU 33 1HD1 LEU 33 -7.347 3.230 4.285 212 HD12 LEU 33 2HD1 LEU 33 -8.680 2.077 4.536 213 HD13 LEU 33 3HD1 LEU 33 -6.992 1.525 4.652 214 HD21 LEU 33 1HD2 LEU 33 -5.814 2.415 1.700 215 HD22 LEU 33 2HD2 LEU 33 -5.670 1.160 2.953 216 HD23 LEU 33 3HD2 LEU 33 -6.356 0.754 1.362 217 H GLN 34 H GLN 34 -9.106 -1.905 0.749 218 HA GLN 34 HA GLN 34 -11.951 -2.011 0.140 219 HB2 GLN 34 1HB GLN 34 -11.367 -4.379 -0.661 220 HB3 GLN 34 2HB GLN 34 -10.732 -3.056 -1.619 221 HG2 GLN 34 1HG GLN 34 -8.524 -3.331 -0.779 222 HG3 GLN 34 2HG GLN 34 -9.066 -4.209 0.637 223 HE21 GLN 34 1HE2 GLN 34 -9.804 -6.358 0.437 224 HE22 GLN 34 2HE2 GLN 34 -9.314 -7.376 -0.876 225 H GLY 35 H GLY 35 -13.317 -3.540 1.268 226 HA2 GLY 35 1HA GLY 35 -12.114 -4.784 3.652 227 HA3 GLY 35 2HA GLY 35 -13.480 -3.700 3.827 228 H SER 36 H SER 36 -13.958 -6.163 4.771 229 HA SER 36 HA SER 36 -15.628 -7.306 2.680 230 HB2 SER 36 1HB SER 36 -15.118 -9.569 3.939 231 HB3 SER 36 2HB SER 36 -13.994 -8.967 2.737 232 HG SER 36 HG SER 36 -13.446 -9.557 5.271 233 H VAL 37 H VAL 37 -17.732 -7.807 3.356 234 HA VAL 37 HA VAL 37 -18.713 -6.631 5.650 235 HB VAL 37 HB VAL 37 -19.811 -8.910 3.991 236 HG11 VAL 37 1HG1 VAL 37 -21.713 -8.888 5.185 237 HG12 VAL 37 2HG1 VAL 37 -20.759 -8.066 6.444 238 HG13 VAL 37 3HG1 VAL 37 -21.730 -7.112 5.296 239 HG21 VAL 37 1HG2 VAL 37 -20.138 -5.899 3.790 240 HG22 VAL 37 2HG2 VAL 37 -19.378 -6.989 2.605 241 HG23 VAL 37 3HG2 VAL 37 -21.131 -7.078 2.901 242 H PHE 38 H PHE 38 -18.138 -10.168 5.017 243 HA PHE 38 HA PHE 38 -18.581 -10.801 7.754 244 HB2 PHE 38 1HB PHE 38 -17.236 -12.318 5.436 245 HB3 PHE 38 2HB PHE 38 -17.821 -13.067 6.909 246 HD1 PHE 38 2HD PHE 38 -20.346 -12.857 7.405 247 HD2 PHE 38 1HD PHE 38 -18.645 -12.111 3.589 248 HE1 PHE 38 2HE PHE 38 -22.591 -13.203 6.337 249 HE2 PHE 38 1HE PHE 38 -20.890 -12.457 2.521 250 HZ PHE 38 HZ PHE 38 -22.836 -12.999 3.908 251 H ALA 39 H ALA 39 -17.101 -9.647 9.063 252 HA ALA 39 HA ALA 39 -14.539 -10.859 9.277 253 HB1 ALA 39 1HB ALA 39 -14.340 -9.154 7.338 254 HB2 ALA 39 2HB ALA 39 -14.502 -7.906 8.597 255 HB3 ALA 39 3HB ALA 39 -13.143 -9.054 8.652 256 H THR 40 H THR 40 -14.737 -11.217 11.444 257 HA THR 40 HA THR 40 -16.244 -9.745 13.209 258 HB THR 40 HB THR 40 -13.714 -11.432 13.569 259 HG1 THR 40 1HG THR 40 -16.598 -11.803 13.981 260 HG21 THR 40 1HG2 THR 40 -13.794 -10.832 15.779 261 HG22 THR 40 2HG2 THR 40 -15.284 -9.890 15.530 262 HG23 THR 40 3HG2 THR 40 -15.378 -11.640 15.842 263 H GLU 41 H GLU 41 -12.682 -9.667 13.631 264 HA GLU 41 HA GLU 41 -12.777 -6.794 13.432 265 HB2 GLU 41 1HB GLU 41 -12.722 -8.235 15.979 266 HB3 GLU 41 2HB GLU 41 -11.291 -7.240 15.799 267 HG2 GLU 41 1HG GLU 41 -12.534 -5.234 15.634 268 HG3 GLU 41 2HG GLU 41 -13.991 -6.056 15.111 269 H THR 42 H THR 42 -11.583 -9.097 11.932 270 HA THR 42 HA THR 42 -8.943 -8.021 11.703 271 HB THR 42 HB THR 42 -7.989 -10.454 12.140 272 HG1 THR 42 1HG THR 42 -9.442 -11.705 13.334 273 HG21 THR 42 1HG2 THR 42 -7.396 -9.853 14.334 274 HG22 THR 42 2HG2 THR 42 -7.870 -8.261 13.694 275 HG23 THR 42 3HG2 THR 42 -9.010 -9.194 14.693 276 H LEU 43 H LEU 43 -8.666 -7.856 9.578 277 HA LEU 43 HA LEU 43 -10.227 -9.547 7.848 278 HB2 LEU 43 1HB LEU 43 -8.176 -7.554 6.947 279 HB3 LEU 43 2HB LEU 43 -9.636 -8.086 6.137 280 HG LEU 43 HG LEU 43 -9.639 -6.430 8.672 281 HD11 LEU 43 1HD1 LEU 43 -9.915 -5.485 5.805 282 HD12 LEU 43 2HD1 LEU 43 -10.119 -4.489 7.267 283 HD13 LEU 43 3HD1 LEU 43 -8.528 -5.189 6.881 284 HD21 LEU 43 1HD2 LEU 43 -11.958 -6.047 8.235 285 HD22 LEU 43 2HD2 LEU 43 -11.860 -6.879 6.665 286 HD23 LEU 43 3HD2 LEU 43 -11.671 -7.803 8.175 287 H SER 44 H SER 44 -7.615 -10.219 9.645 288 HA SER 44 HA SER 44 -5.755 -11.371 9.411 289 HB2 SER 44 1HB SER 44 -8.038 -12.889 8.483 290 HB3 SER 44 2HB SER 44 -6.618 -13.424 7.606 291 HG SER 44 HG SER 44 -6.811 -14.631 9.549 292 H SER 45 H SER 45 -5.854 -9.178 7.517 293 HA SER 45 HA SER 45 -3.769 -9.918 5.867 294 HB2 SER 45 1HB SER 45 -4.668 -10.228 3.743 295 HB3 SER 45 2HB SER 45 -5.886 -11.017 4.725 296 HG SER 45 HG SER 45 -7.319 -9.606 4.014 297 HA PRO 46 HA PRO 46 -3.659 -5.570 5.733 298 HB2 PRO 46 1HB PRO 46 -1.946 -5.088 3.659 299 HB3 PRO 46 2HB PRO 46 -1.406 -5.550 5.260 300 HG2 PRO 46 1HG PRO 46 -1.521 -7.185 2.801 301 HG3 PRO 46 2HG PRO 46 -0.612 -7.476 4.270 302 HD2 PRO 46 1HD PRO 46 -3.038 -8.779 3.467 303 HD3 PRO 46 2HD PRO 46 -2.191 -8.984 4.988 304 HA PRO 47 HA PRO 47 -6.559 -4.105 2.999 305 HB2 PRO 47 1HB PRO 47 -6.426 -1.418 3.479 306 HB3 PRO 47 2HB PRO 47 -7.323 -2.530 4.494 307 HG2 PRO 47 1HG PRO 47 -4.726 -1.221 5.023 308 HG3 PRO 47 2HG PRO 47 -5.826 -1.976 6.159 309 HD2 PRO 47 1HD PRO 47 -3.377 -3.078 5.151 310 HD3 PRO 47 2HD PRO 47 -4.535 -3.878 6.195 311 H LEU 48 H LEU 48 -6.611 -3.986 0.847 312 HA LEU 48 HA LEU 48 -4.183 -2.916 -0.349 313 HB2 LEU 48 1HB LEU 48 -6.423 -4.248 -1.833 314 HB3 LEU 48 2HB LEU 48 -4.727 -4.131 -2.258 315 HG LEU 48 HG LEU 48 -5.569 -5.681 0.181 316 HD11 LEU 48 1HD1 LEU 48 -5.407 -7.696 -1.510 317 HD12 LEU 48 2HD1 LEU 48 -6.936 -6.819 -1.262 318 HD13 LEU 48 3HD1 LEU 48 -5.927 -6.464 -2.684 319 HD21 LEU 48 1HD2 LEU 48 -3.210 -5.846 -1.712 320 HD22 LEU 48 2HD2 LEU 48 -3.210 -5.269 -0.028 321 HD23 LEU 48 3HD2 LEU 48 -3.526 -6.985 -0.382 322 H ILE 49 H ILE 49 -4.217 -1.266 -1.972 323 HA ILE 49 HA ILE 49 -6.122 0.755 -1.424 324 HB ILE 49 HB ILE 49 -3.813 0.428 -3.306 325 HG12 ILE 49 1HG1 ILE 49 -4.344 2.450 -1.112 326 HG13 ILE 49 2HG1 ILE 49 -3.495 0.937 -0.864 327 HG21 ILE 49 1HG2 ILE 49 -6.084 2.248 -3.640 328 HG22 ILE 49 2HG2 ILE 49 -4.512 3.077 -3.556 329 HG23 ILE 49 3HG2 ILE 49 -4.784 1.806 -4.771 330 HD11 ILE 49 1HD1 ILE 49 -2.437 2.382 -3.191 331 HD12 ILE 49 2HD1 ILE 49 -2.354 3.358 -1.705 332 HD13 ILE 49 3HD1 ILE 49 -1.578 1.757 -1.763 333 H SER 50 H SER 50 -8.231 0.270 -1.937 334 HA SER 50 HA SER 50 -8.988 -1.260 -4.085 335 HB2 SER 50 1HB SER 50 -10.541 -0.847 -2.291 336 HB3 SER 50 2HB SER 50 -10.434 0.891 -2.495 337 HG SER 50 HG SER 50 -11.293 -0.596 -4.758 338 H TYR 51 H TYR 51 -8.981 2.364 -3.729 339 HA TYR 51 HA TYR 51 -8.485 2.556 -6.597 340 HB2 TYR 51 1HB TYR 51 -10.979 2.690 -6.162 341 HB3 TYR 51 2HB TYR 51 -10.703 3.918 -4.943 342 HD1 TYR 51 1HD TYR 51 -10.221 3.255 -8.594 343 HD2 TYR 51 2HD TYR 51 -10.755 6.189 -5.526 344 HE1 TYR 51 1HE TYR 51 -10.450 5.070 -10.359 345 HE2 TYR 51 2HE TYR 51 -10.982 7.994 -7.302 346 HH TYR 51 HH TYR 51 -10.005 7.626 -10.379 347 H ILE 52 H ILE 52 -7.616 4.659 -7.241 348 HA ILE 52 HA ILE 52 -6.562 6.148 -4.937 349 HB ILE 52 HB ILE 52 -5.196 5.543 -7.562 350 HG12 ILE 52 1HG1 ILE 52 -4.295 4.623 -4.837 351 HG13 ILE 52 2HG1 ILE 52 -5.461 3.692 -5.756 352 HG21 ILE 52 1HG2 ILE 52 -4.119 7.021 -5.147 353 HG22 ILE 52 2HG2 ILE 52 -3.280 6.707 -6.685 354 HG23 ILE 52 3HG2 ILE 52 -4.688 7.795 -6.645 355 HD11 ILE 52 1HD1 ILE 52 -2.603 3.786 -6.082 356 HD12 ILE 52 2HD1 ILE 52 -3.782 2.802 -6.982 357 HD13 ILE 52 3HD1 ILE 52 -3.350 4.428 -7.565 358 H GLU 53 H GLU 53 -7.713 8.005 -4.803 359 HA GLU 53 HA GLU 53 -9.226 9.069 -6.777 360 HB2 GLU 53 1HB GLU 53 -8.569 9.722 -4.144 361 HB3 GLU 53 2HB GLU 53 -8.007 11.121 -5.037 362 HG2 GLU 53 1HG GLU 53 -10.493 10.593 -6.214 363 HG3 GLU 53 2HG GLU 53 -10.773 10.205 -4.528 364 H ALA 54 H ALA 54 -8.971 10.971 -8.186 365 HA ALA 54 HA ALA 54 -6.287 11.055 -9.289 366 HB1 ALA 54 1HB ALA 54 -7.830 10.780 -11.000 367 HB2 ALA 54 2HB ALA 54 -9.064 11.776 -10.192 368 HB3 ALA 54 3HB ALA 54 -7.672 12.553 -10.983 369 H ASP 55 H ASP 55 -5.439 13.271 -9.991 370 HA ASP 55 HA ASP 55 -4.645 15.203 -9.406 371 HB2 ASP 55 1HB ASP 55 -7.163 15.745 -9.852 372 HB3 ASP 55 2HB ASP 55 -7.319 15.866 -8.111 373 H SER 56 H SER 56 -4.841 12.875 -7.365 374 HA SER 56 HA SER 56 -4.731 14.442 -4.919 375 HB2 SER 56 1HB SER 56 -5.462 12.584 -3.772 376 HB3 SER 56 2HB SER 56 -6.142 12.195 -5.339 377 HG SER 56 HG SER 56 -4.901 10.461 -5.409 378 HA PRO 57 HA PRO 57 -0.467 13.656 -4.520 379 HB2 PRO 57 1HB PRO 57 -0.086 13.206 -1.851 380 HB3 PRO 57 2HB PRO 57 -0.305 14.806 -2.532 381 HG2 PRO 57 1HG PRO 57 -2.225 13.168 -0.992 382 HG3 PRO 57 2HG PRO 57 -2.258 14.892 -1.307 383 HD2 PRO 57 1HD PRO 57 -3.855 12.882 -2.587 384 HD3 PRO 57 2HD PRO 57 -3.804 14.588 -2.982 385 H ALA 58 H ALA 58 -2.576 11.171 -3.465 386 HA ALA 58 HA ALA 58 -0.544 9.227 -3.090 387 HB1 ALA 58 1HB ALA 58 -2.652 8.940 -1.989 388 HB2 ALA 58 2HB ALA 58 -3.551 9.118 -3.515 389 HB3 ALA 58 3HB ALA 58 -2.557 7.669 -3.231 390 H GLU 59 H GLU 59 -2.206 10.632 -5.858 391 HA GLU 59 HA GLU 59 -1.328 8.430 -7.520 392 HB2 GLU 59 1HB GLU 59 -3.675 9.399 -7.700 393 HB3 GLU 59 2HB GLU 59 -2.962 10.878 -8.313 394 HG2 GLU 59 1HG GLU 59 -3.580 9.600 -10.251 395 HG3 GLU 59 2HG GLU 59 -1.836 9.474 -10.136 396 H ARG 60 H ARG 60 -0.761 11.889 -6.832 397 HA ARG 60 HA ARG 60 0.644 12.606 -9.021 398 HB2 ARG 60 1HB ARG 60 0.751 13.375 -6.105 399 HB3 ARG 60 2HB ARG 60 2.035 13.972 -7.138 400 HG2 ARG 60 1HG ARG 60 -0.221 14.476 -8.687 401 HG3 ARG 60 2HG ARG 60 -0.837 14.729 -7.066 402 HD2 ARG 60 1HD ARG 60 1.327 16.175 -6.694 403 HD3 ARG 60 2HD ARG 60 1.466 16.163 -8.441 404 HE ARG 60 HE ARG 60 -0.491 17.641 -6.869 405 HH11 ARG 60 2HH2 ARG 60 0.077 16.130 -9.995 406 HH12 ARG 60 1HH2 ARG 60 -1.065 17.130 -10.829 407 HH21 ARG 60 2HH1 ARG 60 -1.999 18.960 -7.968 408 HH22 ARG 60 1HH1 ARG 60 -2.254 18.751 -9.669 409 H CYS 61 H CYS 61 1.778 10.832 -6.083 410 HA CYS 61 HA CYS 61 4.480 10.826 -6.716 411 HB2 CYS 61 1HB CYS 61 2.883 8.784 -5.133 412 HB3 CYS 61 2HB CYS 61 4.631 8.910 -5.149 413 HG CYS 61 HG CYS 61 2.768 10.143 -3.182 414 H GLY 62 H GLY 62 1.729 8.659 -7.588 415 HA2 GLY 62 1HA GLY 62 1.489 7.183 -9.270 416 HA3 GLY 62 2HA GLY 62 2.932 7.844 -10.014 417 H VAL 63 H VAL 63 3.146 6.690 -6.681 418 HA VAL 63 HA VAL 63 4.742 4.438 -7.666 419 HB VAL 63 HB VAL 63 5.917 4.540 -5.604 420 HG11 VAL 63 1HG1 VAL 63 6.067 7.371 -5.713 421 HG12 VAL 63 2HG1 VAL 63 7.137 6.181 -6.492 422 HG13 VAL 63 3HG1 VAL 63 5.716 6.806 -7.364 423 HG21 VAL 63 1HG2 VAL 63 4.199 4.914 -3.998 424 HG22 VAL 63 2HG2 VAL 63 5.321 6.290 -3.867 425 HG23 VAL 63 3HG2 VAL 63 3.769 6.484 -4.717 426 H LEU 64 H LEU 64 1.751 5.344 -6.159 427 HA LEU 64 HA LEU 64 1.455 2.736 -4.904 428 HB2 LEU 64 1HB LEU 64 -0.418 5.106 -4.943 429 HB3 LEU 64 2HB LEU 64 -0.590 3.655 -3.975 430 HG LEU 64 HG LEU 64 1.893 5.312 -3.676 431 HD11 LEU 64 1HD1 LEU 64 0.798 7.132 -3.039 432 HD12 LEU 64 2HD1 LEU 64 -0.772 6.319 -3.243 433 HD13 LEU 64 3HD1 LEU 64 0.099 6.195 -1.696 434 HD21 LEU 64 1HD2 LEU 64 0.374 3.299 -2.075 435 HD22 LEU 64 2HD2 LEU 64 2.123 3.456 -2.365 436 HD23 LEU 64 3HD2 LEU 64 1.311 4.542 -1.211 437 H GLN 65 H GLN 65 0.481 1.048 -5.894 438 HA GLN 65 HA GLN 65 -0.935 1.687 -8.357 439 HB2 GLN 65 1HB GLN 65 0.518 -0.829 -7.450 440 HB3 GLN 65 2HB GLN 65 -0.512 -0.796 -8.867 441 HG2 GLN 65 1HG GLN 65 1.097 0.214 -10.115 442 HG3 GLN 65 2HG GLN 65 1.321 1.477 -8.920 443 HE21 GLN 65 1HE2 GLN 65 2.966 -0.640 -10.594 444 HE22 GLN 65 2HE2 GLN 65 4.208 -1.138 -9.493 445 H ILE 66 H ILE 66 -2.971 0.602 -8.819 446 HA ILE 66 HA ILE 66 -4.652 0.425 -6.600 447 HB ILE 66 HB ILE 66 -4.963 -0.485 -9.460 448 HG12 ILE 66 1HG1 ILE 66 -4.638 2.021 -8.704 449 HG13 ILE 66 2HG1 ILE 66 -5.800 1.585 -9.942 450 HG21 ILE 66 1HG2 ILE 66 -6.683 -1.700 -8.667 451 HG22 ILE 66 2HG2 ILE 66 -6.747 -0.811 -7.126 452 HG23 ILE 66 3HG2 ILE 66 -7.503 -0.122 -8.583 453 HD11 ILE 66 1HD1 ILE 66 -6.792 1.489 -7.116 454 HD12 ILE 66 2HD1 ILE 66 -6.453 3.100 -7.792 455 HD13 ILE 66 3HD1 ILE 66 -7.623 2.027 -8.596 456 H GLY 67 H GLY 67 -4.782 -1.114 -5.067 457 HA2 GLY 67 1HA GLY 67 -5.170 -3.289 -4.362 458 HA3 GLY 67 2HA GLY 67 -4.534 -3.915 -5.870 459 H ASP 68 H ASP 68 -2.902 -1.372 -3.942 460 HA ASP 68 HA ASP 68 -0.493 -2.721 -4.005 461 HB2 ASP 68 1HB ASP 68 -1.589 -0.433 -2.335 462 HB3 ASP 68 2HB ASP 68 0.028 -1.040 -2.039 463 H ARG 69 H ARG 69 0.678 -2.814 -1.520 464 HA ARG 69 HA ARG 69 -1.150 -4.413 0.081 465 HB2 ARG 69 1HB ARG 69 1.157 -5.663 0.676 466 HB3 ARG 69 2HB ARG 69 0.192 -6.147 -0.704 467 HG2 ARG 69 1HG ARG 69 2.359 -4.028 -0.968 468 HG3 ARG 69 2HG ARG 69 2.744 -5.734 -1.074 469 HD2 ARG 69 1HD ARG 69 0.621 -5.645 -2.801 470 HD3 ARG 69 2HD ARG 69 1.215 -4.008 -2.991 471 HE ARG 69 HE ARG 69 2.605 -6.484 -3.779 472 HH11 ARG 69 2HH2 ARG 69 2.902 -3.032 -3.162 473 HH12 ARG 69 1HH2 ARG 69 4.348 -2.859 -4.100 474 HH21 ARG 69 2HH1 ARG 69 4.513 -6.256 -5.016 475 HH22 ARG 69 1HH1 ARG 69 5.270 -4.705 -5.161 476 H VAL 70 H VAL 70 -1.437 -2.414 1.367 477 HA VAL 70 HA VAL 70 0.781 -1.095 2.510 478 HB VAL 70 HB VAL 70 -1.539 -0.203 2.098 479 HG11 VAL 70 1HG1 VAL 70 -2.462 -2.352 3.423 480 HG12 VAL 70 2HG1 VAL 70 -2.396 -1.195 4.774 481 HG13 VAL 70 3HG1 VAL 70 -3.358 -0.817 3.324 482 HG21 VAL 70 1HG2 VAL 70 -1.308 0.574 4.844 483 HG22 VAL 70 2HG2 VAL 70 0.328 0.353 4.178 484 HG23 VAL 70 3HG2 VAL 70 -0.814 1.465 3.385 485 H MET 71 H MET 71 2.153 -1.909 3.999 486 HA MET 71 HA MET 71 1.248 -4.146 5.566 487 HB2 MET 71 1HB MET 71 3.978 -2.767 5.649 488 HB3 MET 71 2HB MET 71 3.616 -4.424 6.090 489 HG2 MET 71 1HG MET 71 3.247 -3.345 3.256 490 HG3 MET 71 2HG MET 71 4.728 -4.108 3.799 491 HE1 MET 71 1HE MET 71 4.684 -6.206 5.187 492 HE2 MET 71 2HE MET 71 3.077 -6.532 5.880 493 HE3 MET 71 3HE MET 71 3.777 -7.653 4.688 494 H ALA 72 H ALA 72 1.601 -0.697 5.844 495 HA ALA 72 HA ALA 72 0.617 -0.750 8.507 496 HB1 ALA 72 1HB ALA 72 3.481 0.179 8.045 497 HB2 ALA 72 2HB ALA 72 2.551 0.410 9.545 498 HB3 ALA 72 3HB ALA 72 2.974 -1.232 9.004 499 H ILE 73 H ILE 73 0.316 1.567 9.315 500 HA ILE 73 HA ILE 73 0.360 3.483 7.111 501 HB ILE 73 HB ILE 73 -2.065 2.702 8.726 502 HG12 ILE 73 1HG1 ILE 73 -1.389 2.582 5.778 503 HG13 ILE 73 2HG1 ILE 73 -1.744 1.244 6.853 504 HG21 ILE 73 1HG2 ILE 73 -3.234 4.563 7.929 505 HG22 ILE 73 2HG2 ILE 73 -1.663 5.223 8.446 506 HG23 ILE 73 3HG2 ILE 73 -1.988 4.949 6.718 507 HD11 ILE 73 1HD1 ILE 73 -3.638 3.333 5.745 508 HD12 ILE 73 2HD1 ILE 73 -3.792 1.560 5.728 509 HD13 ILE 73 3HD1 ILE 73 -4.044 2.460 7.243 510 H ASN 74 H ASN 74 1.768 4.974 7.890 511 HA ASN 74 HA ASN 74 2.441 6.644 9.125 512 HB2 ASN 74 1HB ASN 74 -0.212 6.311 10.114 513 HB3 ASN 74 2HB ASN 74 0.796 6.386 11.546 514 HD21 ASN 74 1HD2 ASN 74 -1.057 8.194 9.695 515 HD22 ASN 74 2HD2 ASN 74 -0.276 9.739 9.756 516 H GLY 75 H GLY 75 2.555 3.436 9.754 517 HA2 GLY 75 1HA GLY 75 4.583 2.676 10.869 518 HA3 GLY 75 2HA GLY 75 4.197 3.755 12.195 519 H ILE 76 H ILE 76 1.180 3.035 11.673 520 HA ILE 76 HA ILE 76 1.078 1.014 13.648 521 HB ILE 76 HB ILE 76 -0.960 2.391 11.918 522 HG12 ILE 76 1HG1 ILE 76 -1.682 3.303 14.126 523 HG13 ILE 76 2HG1 ILE 76 -0.325 2.490 14.881 524 HG21 ILE 76 1HG2 ILE 76 -1.255 -0.168 13.171 525 HG22 ILE 76 2HG2 ILE 76 -2.266 1.021 14.027 526 HG23 ILE 76 3HG2 ILE 76 -2.454 0.793 12.272 527 HD11 ILE 76 1HD1 ILE 76 1.283 3.818 13.706 528 HD12 ILE 76 2HD1 ILE 76 0.069 4.388 12.535 529 HD13 ILE 76 3HD1 ILE 76 0.020 4.963 14.219 530 HA PRO 77 HA PRO 77 1.380 -2.409 11.005 531 HB2 PRO 77 1HB PRO 77 0.861 -4.378 12.827 532 HB3 PRO 77 2HB PRO 77 2.442 -3.650 12.628 533 HG2 PRO 77 1HG PRO 77 0.464 -3.224 14.783 534 HG3 PRO 77 2HG PRO 77 2.177 -2.854 14.776 535 HD2 PRO 77 1HD PRO 77 0.018 -0.992 14.462 536 HD3 PRO 77 2HD PRO 77 1.731 -0.641 14.340 537 H THR 78 H THR 78 -0.046 -2.598 9.395 538 HA THR 78 HA THR 78 -2.828 -2.922 10.183 539 HB THR 78 HB THR 78 -2.989 -2.779 7.553 540 HG1 THR 78 1HG THR 78 -0.906 -1.678 6.847 541 HG21 THR 78 1HG2 THR 78 -1.670 -0.420 8.988 542 HG22 THR 78 2HG2 THR 78 -2.734 -0.351 7.563 543 HG23 THR 78 3HG2 THR 78 -3.399 -0.811 9.149 544 H GLU 79 H GLU 79 -2.717 -5.009 11.174 545 HA GLU 79 HA GLU 79 -3.103 -7.039 9.230 546 HB2 GLU 79 1HB GLU 79 -0.523 -6.875 9.743 547 HB3 GLU 79 2HB GLU 79 -0.937 -7.652 11.257 548 HG2 GLU 79 1HG GLU 79 -2.188 -9.423 9.822 549 HG3 GLU 79 2HG GLU 79 -1.367 -8.725 8.439 550 H ASP 80 H ASP 80 -4.511 -5.565 11.437 551 HA ASP 80 HA ASP 80 -5.972 -7.624 12.434 552 HB2 ASP 80 1HB ASP 80 -3.538 -7.614 13.768 553 HB3 ASP 80 2HB ASP 80 -4.514 -6.613 14.825 554 H SER 81 H SER 81 -7.657 -6.081 12.038 555 HA SER 81 HA SER 81 -8.439 -4.475 14.071 556 HB2 SER 81 1HB SER 81 -7.935 -2.266 12.406 557 HB3 SER 81 2HB SER 81 -7.173 -2.608 13.947 558 HG SER 81 HG SER 81 -6.219 -3.171 11.296 559 H THR 82 H THR 82 -9.920 -2.458 12.861 560 HA THR 82 HA THR 82 -11.541 -4.005 10.965 561 HB THR 82 HB THR 82 -13.390 -2.748 11.834 562 HG1 THR 82 1HG THR 82 -11.281 -1.072 13.003 563 HG21 THR 82 1HG2 THR 82 -11.466 -2.803 14.211 564 HG22 THR 82 2HG2 THR 82 -13.243 -2.877 14.262 565 HG23 THR 82 3HG2 THR 82 -12.313 -4.253 13.621 566 H PHE 83 H PHE 83 -12.338 -3.082 9.029 567 HA PHE 83 HA PHE 83 -10.488 -1.697 7.567 568 HB2 PHE 83 1HB PHE 83 -12.325 -2.912 6.522 569 HB3 PHE 83 2HB PHE 83 -13.525 -2.061 7.474 570 HD1 PHE 83 2HD PHE 83 -13.764 0.485 7.024 571 HD2 PHE 83 1HD PHE 83 -11.853 -2.205 4.356 572 HE1 PHE 83 2HE PHE 83 -14.104 2.111 5.143 573 HE2 PHE 83 1HE PHE 83 -12.192 -0.579 2.474 574 HZ PHE 83 HZ PHE 83 -13.313 1.560 2.890 575 H GLU 84 H GLU 84 -12.706 -0.487 9.981 576 HA GLU 84 HA GLU 84 -12.857 2.130 8.916 577 HB2 GLU 84 1HB GLU 84 -13.637 0.810 11.521 578 HB3 GLU 84 2HB GLU 84 -13.634 2.560 11.418 579 HG2 GLU 84 1HG GLU 84 -15.562 2.578 10.216 580 HG3 GLU 84 2HG GLU 84 -14.928 1.426 9.057 581 H GLU 85 H GLU 85 -10.728 0.359 11.164 582 HA GLU 85 HA GLU 85 -9.555 2.402 12.486 583 HB2 GLU 85 1HB GLU 85 -9.108 -0.325 12.186 584 HB3 GLU 85 2HB GLU 85 -7.628 0.361 11.544 585 HG2 GLU 85 1HG GLU 85 -8.797 1.243 14.218 586 HG3 GLU 85 2HG GLU 85 -7.686 -0.106 14.086 587 H ALA 86 H ALA 86 -8.185 0.887 9.467 588 HA ALA 86 HA ALA 86 -6.215 2.703 8.996 589 HB1 ALA 86 1HB ALA 86 -7.765 1.735 6.634 590 HB2 ALA 86 2HB ALA 86 -6.023 1.626 6.982 591 HB3 ALA 86 3HB ALA 86 -7.157 0.493 7.755 592 H ASN 87 H ASN 87 -9.628 2.833 7.745 593 HA ASN 87 HA ASN 87 -9.447 5.135 6.368 594 HB2 ASN 87 1HB ASN 87 -11.489 3.468 7.019 595 HB3 ASN 87 2HB ASN 87 -11.874 4.768 8.130 596 HD21 ASN 87 1HD2 ASN 87 -11.479 3.827 4.793 597 HD22 ASN 87 2HD2 ASN 87 -12.303 5.161 4.057 598 H GLN 88 H GLN 88 -9.562 4.588 9.892 599 HA GLN 88 HA GLN 88 -10.159 7.279 10.527 600 HB2 GLN 88 1HB GLN 88 -10.041 4.798 11.899 601 HB3 GLN 88 2HB GLN 88 -8.841 5.810 12.677 602 HG2 GLN 88 1HG GLN 88 -11.068 6.085 13.741 603 HG3 GLN 88 2HG GLN 88 -10.513 7.592 13.040 604 HE21 GLN 88 1HE2 GLN 88 -12.197 4.634 11.974 605 HE22 GLN 88 2HE2 GLN 88 -13.470 5.412 11.094 606 H LEU 89 H LEU 89 -7.213 5.296 10.100 607 HA LEU 89 HA LEU 89 -5.378 6.960 11.319 608 HB2 LEU 89 1HB LEU 89 -5.121 5.133 8.929 609 HB3 LEU 89 2HB LEU 89 -3.760 5.906 9.718 610 HG LEU 89 HG LEU 89 -5.524 3.692 10.702 611 HD11 LEU 89 1HD1 LEU 89 -3.646 2.685 9.961 612 HD12 LEU 89 2HD1 LEU 89 -2.650 4.148 10.150 613 HD13 LEU 89 3HD1 LEU 89 -3.029 3.140 11.567 614 HD21 LEU 89 1HD2 LEU 89 -3.964 5.567 12.499 615 HD22 LEU 89 2HD2 LEU 89 -5.725 5.310 12.483 616 HD23 LEU 89 3HD2 LEU 89 -4.638 3.996 12.994 617 H LEU 90 H LEU 90 -6.601 6.968 7.907 618 HA LEU 90 HA LEU 90 -5.040 9.066 7.013 619 HB2 LEU 90 1HB LEU 90 -7.849 8.339 6.170 620 HB3 LEU 90 2HB LEU 90 -6.705 9.298 5.251 621 HG LEU 90 HG LEU 90 -6.681 6.342 5.807 622 HD11 LEU 90 1HD1 LEU 90 -7.451 6.301 3.727 623 HD12 LEU 90 2HD1 LEU 90 -7.223 8.058 3.553 624 HD13 LEU 90 3HD1 LEU 90 -5.885 6.945 3.179 625 HD21 LEU 90 1HD2 LEU 90 -4.306 8.096 5.240 626 HD22 LEU 90 2HD2 LEU 90 -4.473 6.744 6.386 627 HD23 LEU 90 3HD2 LEU 90 -4.365 6.421 4.639 628 H ARG 91 H ARG 91 -8.433 9.167 8.317 629 HA ARG 91 HA ARG 91 -8.770 11.835 8.201 630 HB2 ARG 91 1HB ARG 91 -9.703 9.870 10.351 631 HB3 ARG 91 2HB ARG 91 -10.324 11.503 10.216 632 HG2 ARG 91 1HG ARG 91 -10.546 10.528 7.596 633 HG3 ARG 91 2HG ARG 91 -10.934 9.125 8.572 634 HD2 ARG 91 1HD ARG 91 -13.042 10.040 8.607 635 HD3 ARG 91 2HD ARG 91 -12.393 11.020 9.907 636 HE ARG 91 HE ARG 91 -12.484 12.887 8.504 637 HH11 ARG 91 2HH2 ARG 91 -12.590 9.974 6.532 638 HH12 ARG 91 1HH2 ARG 91 -12.881 10.831 5.055 639 HH21 ARG 91 2HH1 ARG 91 -12.868 14.018 6.556 640 HH22 ARG 91 1HH1 ARG 91 -13.040 13.147 5.069 641 H ASP 92 H ASP 92 -6.778 9.933 10.440 642 HA ASP 92 HA ASP 92 -6.492 12.097 12.274 643 HB2 ASP 92 1HB ASP 92 -6.380 9.591 12.835 644 HB3 ASP 92 2HB ASP 92 -4.816 9.557 12.044 645 H SER 93 H SER 93 -4.702 10.496 9.592 646 HA SER 93 HA SER 93 -2.247 11.646 9.965 647 HB2 SER 93 1HB SER 93 -3.668 10.896 7.371 648 HB3 SER 93 2HB SER 93 -1.958 11.267 7.477 649 HG SER 93 HG SER 93 -2.971 9.303 9.275 650 H SER 94 H SER 94 -5.283 13.004 8.766 651 HA SER 94 HA SER 94 -4.358 15.070 7.248 652 HB2 SER 94 1HB SER 94 -6.774 14.325 7.677 653 HB3 SER 94 2HB SER 94 -6.718 15.246 9.167 654 HG SER 94 HG SER 94 -6.261 16.318 6.512 655 H ILE 95 H ILE 95 -3.984 14.490 10.656 656 HA ILE 95 HA ILE 95 -3.912 17.099 11.627 657 HB ILE 95 HB ILE 95 -2.808 14.459 12.479 658 HG12 ILE 95 1HG1 ILE 95 -4.570 16.370 14.013 659 HG13 ILE 95 2HG1 ILE 95 -5.229 15.304 12.787 660 HG21 ILE 95 1HG2 ILE 95 -1.996 17.143 13.574 661 HG22 ILE 95 2HG2 ILE 95 -2.058 15.700 14.613 662 HG23 ILE 95 3HG2 ILE 95 -0.990 15.726 13.190 663 HD11 ILE 95 1HD1 ILE 95 -3.390 13.929 14.660 664 HD12 ILE 95 2HD1 ILE 95 -4.835 14.616 15.441 665 HD13 ILE 95 3HD1 ILE 95 -5.013 13.453 14.105 666 H THR 96 H THR 96 -1.014 14.997 11.003 667 HA THR 96 HA THR 96 0.739 17.191 10.910 668 HB THR 96 HB THR 96 1.316 14.785 11.438 669 HG1 THR 96 1HG THR 96 3.293 15.429 10.665 670 HG21 THR 96 1HG2 THR 96 -0.001 13.708 9.564 671 HG22 THR 96 2HG2 THR 96 1.106 14.469 8.397 672 HG23 THR 96 3HG2 THR 96 1.719 13.250 9.540 673 H SER 97 H SER 97 -1.628 16.139 8.666 674 HA SER 97 HA SER 97 -2.196 17.040 6.752 675 HB2 SER 97 1HB SER 97 -0.317 18.944 7.646 676 HB3 SER 97 2HB SER 97 0.212 18.552 6.022 677 HG SER 97 HG SER 97 -1.798 20.175 6.727 678 H LYS 98 H LYS 98 -0.449 14.615 7.250 679 HA LYS 98 HA LYS 98 0.026 13.995 4.521 680 HB2 LYS 98 1HB LYS 98 2.298 14.015 4.344 681 HB3 LYS 98 2HB LYS 98 2.095 15.382 5.419 682 HG2 LYS 98 1HG LYS 98 2.190 13.289 7.230 683 HG3 LYS 98 2HG LYS 98 3.256 12.696 5.971 684 HD2 LYS 98 1HD LYS 98 3.588 15.556 6.880 685 HD3 LYS 98 2HD LYS 98 4.157 14.284 7.942 686 HE2 LYS 98 1HE LYS 98 5.502 13.331 6.024 687 HE3 LYS 98 2HE LYS 98 4.984 14.675 5.026 688 HZ1 LYS 98 1HZ LYS 98 6.552 14.856 7.502 689 HZ2 LYS 98 2HZ LYS 98 7.074 15.174 5.987 690 HZ3 LYS 98 3HZ LYS 98 5.974 16.153 6.695 691 H VAL 99 H VAL 99 0.535 11.688 4.248 692 HA VAL 99 HA VAL 99 0.160 10.160 6.721 693 HB VAL 99 HB VAL 99 -1.997 10.358 5.631 694 HG11 VAL 99 1HG1 VAL 99 -2.445 9.670 3.391 695 HG12 VAL 99 2HG1 VAL 99 -1.042 10.762 3.321 696 HG13 VAL 99 3HG1 VAL 99 -0.806 9.003 3.195 697 HG21 VAL 99 1HG2 VAL 99 -0.573 7.771 5.859 698 HG22 VAL 99 2HG2 VAL 99 -2.094 8.319 6.604 699 HG23 VAL 99 3HG2 VAL 99 -2.087 7.733 4.923 700 H THR 100 H THR 100 1.393 8.286 6.863 701 HA THR 100 HA THR 100 3.236 7.873 4.606 702 HB THR 100 HB THR 100 3.466 7.472 7.628 703 HG1 THR 100 1HG THR 100 3.974 9.586 6.894 704 HG21 THR 100 1HG2 THR 100 5.278 6.102 7.338 705 HG22 THR 100 2HG2 THR 100 4.730 5.871 5.661 706 HG23 THR 100 3HG2 THR 100 5.919 7.139 6.042 707 H LEU 101 H LEU 101 2.342 6.378 3.281 708 HA LEU 101 HA LEU 101 1.018 4.101 4.500 709 HB2 LEU 101 1HB LEU 101 1.277 5.130 1.682 710 HB3 LEU 101 2HB LEU 101 0.620 3.545 2.037 711 HG LEU 101 HG LEU 101 -1.079 5.344 1.673 712 HD11 LEU 101 1HD1 LEU 101 -0.960 3.592 4.081 713 HD12 LEU 101 2HD1 LEU 101 -2.281 4.782 3.981 714 HD13 LEU 101 3HD1 LEU 101 -2.074 3.571 2.693 715 HD21 LEU 101 1HD2 LEU 101 -1.419 7.111 3.147 716 HD22 LEU 101 2HD2 LEU 101 -0.420 6.376 4.423 717 HD23 LEU 101 3HD2 LEU 101 0.351 7.059 2.972 718 H GLU 102 H GLU 102 2.143 2.328 5.070 719 HA GLU 102 HA GLU 102 4.787 2.029 3.990 720 HB2 GLU 102 1HB GLU 102 4.301 1.736 6.437 721 HB3 GLU 102 2HB GLU 102 3.305 0.345 6.058 722 HG2 GLU 102 1HG GLU 102 5.131 -0.994 5.478 723 HG3 GLU 102 2HG GLU 102 6.104 0.366 4.952 724 H ILE 103 H ILE 103 4.949 1.080 1.997 725 HA ILE 103 HA ILE 103 3.124 -1.148 1.444 726 HB ILE 103 HB ILE 103 4.692 0.537 -0.509 727 HG12 ILE 103 1HG1 ILE 103 2.985 1.829 0.819 728 HG13 ILE 103 2HG1 ILE 103 2.753 1.830 -0.918 729 HG21 ILE 103 1HG2 ILE 103 2.728 -0.471 -1.978 730 HG22 ILE 103 2HG2 ILE 103 4.250 -1.353 -1.706 731 HG23 ILE 103 3HG2 ILE 103 2.803 -1.761 -0.753 732 HD11 ILE 103 1HD1 ILE 103 1.209 -0.269 -0.459 733 HD12 ILE 103 2HD1 ILE 103 1.175 0.363 1.205 734 HD13 ILE 103 3HD1 ILE 103 0.585 1.368 -0.141 735 H GLU 104 H GLU 104 4.106 -2.941 0.075 736 HA GLU 104 HA GLU 104 6.949 -3.202 0.488 737 HB2 GLU 104 1HB GLU 104 6.305 -4.279 2.484 738 HB3 GLU 104 2HB GLU 104 4.853 -4.958 1.776 739 HG2 GLU 104 1HG GLU 104 6.000 -6.714 0.739 740 HG3 GLU 104 2HG GLU 104 7.490 -5.803 0.592 741 H PHE 105 H PHE 105 7.855 -3.966 -1.377 742 HA PHE 105 HA PHE 105 6.098 -5.537 -3.131 743 HB2 PHE 105 1HB PHE 105 7.653 -4.439 -4.932 744 HB3 PHE 105 2HB PHE 105 6.484 -3.381 -4.167 745 HD1 PHE 105 1HD PHE 105 7.310 -2.010 -2.134 746 HD2 PHE 105 2HD PHE 105 9.916 -3.882 -4.912 747 HE1 PHE 105 1HE PHE 105 9.163 -0.467 -1.436 748 HE2 PHE 105 2HE PHE 105 11.768 -2.339 -4.213 749 HZ PHE 105 HZ PHE 105 11.370 -0.650 -2.484 750 H ASP 106 H ASP 106 7.617 -6.680 -4.911 751 HA ASP 106 HA ASP 106 9.556 -8.119 -3.308 752 HB2 ASP 106 1HB ASP 106 9.445 -9.697 -5.394 753 HB3 ASP 106 2HB ASP 106 8.086 -9.672 -4.288 754 H VAL 107 H VAL 107 11.710 -8.603 -4.292 755 HA VAL 107 HA VAL 107 12.412 -6.680 -6.403 756 HB VAL 107 HB VAL 107 14.145 -7.698 -4.143 757 HG11 VAL 107 1HG1 VAL 107 15.888 -6.664 -5.105 758 HG12 VAL 107 2HG1 VAL 107 14.902 -6.643 -6.587 759 HG13 VAL 107 3HG1 VAL 107 14.924 -5.224 -5.512 760 HG21 VAL 107 1HG2 VAL 107 13.543 -4.846 -4.119 761 HG22 VAL 107 2HG2 VAL 107 12.072 -5.837 -3.964 762 HG23 VAL 107 3HG2 VAL 107 13.415 -6.051 -2.816 763 H ALA 108 H ALA 108 13.800 -7.409 -8.072 764 HA ALA 108 HA ALA 108 13.661 -10.255 -8.484 765 HB1 ALA 108 1HB ALA 108 15.205 -8.720 -10.432 766 HB2 ALA 108 2HB ALA 108 13.698 -9.642 -10.651 767 HB3 ALA 108 3HB ALA 108 13.635 -7.955 -10.089 768 H GLU 109 H GLU 109 15.154 -11.608 -7.631 769 HA GLU 109 HA GLU 109 17.840 -10.513 -7.323 770 HB2 GLU 109 1HB GLU 109 18.148 -11.894 -5.405 771 HB3 GLU 109 2HB GLU 109 16.545 -11.211 -5.223 772 HG2 GLU 109 1HG GLU 109 15.704 -13.309 -5.073 773 HG3 GLU 109 2HG GLU 109 16.172 -13.589 -6.738 774 H SER 110 H SER 110 19.610 -12.315 -7.417 775 HA SER 110 HA SER 110 19.079 -13.774 -9.840 776 HB2 SER 110 1HB SER 110 21.576 -13.083 -8.265 777 HB3 SER 110 2HB SER 110 21.633 -14.311 -9.514 778 HG SER 110 HG SER 110 20.315 -12.140 -10.511 779 H VAL 111 H VAL 111 18.125 -15.768 -9.573 780 HA VAL 111 HA VAL 111 19.424 -17.612 -7.746 781 HB VAL 111 HB VAL 111 17.623 -16.499 -6.461 782 HG11 VAL 111 1HG1 VAL 111 15.703 -17.844 -8.387 783 HG12 VAL 111 2HG1 VAL 111 15.303 -16.794 -7.006 784 HG13 VAL 111 3HG1 VAL 111 16.115 -16.113 -8.436 785 HG21 VAL 111 1HG2 VAL 111 16.604 -19.273 -6.830 786 HG22 VAL 111 2HG2 VAL 111 18.332 -19.094 -6.441 787 HG23 VAL 111 3HG2 VAL 111 17.100 -18.416 -5.350 788 H ILE 112 H ILE 112 18.966 -19.864 -8.288 789 HA ILE 112 HA ILE 112 18.847 -20.276 -11.044 790 HB ILE 112 HB ILE 112 18.918 -22.603 -10.519 791 HG12 ILE 112 1HG1 ILE 112 18.087 -21.824 -7.709 792 HG13 ILE 112 2HG1 ILE 112 17.129 -22.721 -8.871 793 HG21 ILE 112 1HG2 ILE 112 21.018 -22.512 -9.765 794 HG22 ILE 112 2HG2 ILE 112 20.772 -20.751 -9.681 795 HG23 ILE 112 3HG2 ILE 112 20.535 -21.753 -8.229 796 HD11 ILE 112 1HD1 ILE 112 18.721 -23.897 -6.978 797 HD12 ILE 112 2HD1 ILE 112 18.275 -24.678 -8.514 798 HD13 ILE 112 3HD1 ILE 112 19.842 -23.848 -8.360 799 HA PRO 113 HA PRO 113 14.603 -20.464 -11.801 800 HB2 PRO 113 1HB PRO 113 14.525 -22.003 -14.058 801 HB3 PRO 113 2HB PRO 113 14.927 -20.298 -14.075 802 HG2 PRO 113 1HG PRO 113 16.721 -22.628 -14.371 803 HG3 PRO 113 2HG PRO 113 17.015 -20.955 -14.800 804 HD2 PRO 113 1HD PRO 113 18.036 -22.343 -12.507 805 HD3 PRO 113 2HD PRO 113 18.233 -20.641 -12.876 806 H SER 114 H SER 114 16.172 -23.610 -12.019 807 HA SER 114 HA SER 114 15.660 -25.497 -11.054 808 HB2 SER 114 1HB SER 114 14.783 -23.905 -9.148 809 HB3 SER 114 2HB SER 114 13.189 -24.348 -9.725 810 HG SER 114 HG SER 114 13.992 -25.734 -7.982 811 H SER 115 H SER 115 14.905 -27.059 -12.432 812 HA SER 115 HA SER 115 12.254 -27.520 -12.874 813 HB2 SER 115 1HB SER 115 13.115 -25.335 -14.459 814 HB3 SER 115 2HB SER 115 13.058 -26.695 -15.563 815 HG SER 115 HG SER 115 10.922 -26.629 -15.524 816 H GLY 116 H GLY 116 12.000 -29.550 -13.936 817 HA2 GLY 116 1HA GLY 116 14.395 -31.081 -14.238 818 HA3 GLY 116 2HA GLY 116 12.744 -31.610 -14.496 819 H SER 117 H SER 117 15.629 -30.176 -15.979 820 HA SER 117 HA SER 117 15.027 -31.230 -18.454 821 HB2 SER 117 1HB SER 117 14.754 -28.977 -19.694 822 HB3 SER 117 2HB SER 117 13.347 -29.614 -18.866 823 HG SER 117 HG SER 117 14.150 -28.219 -16.978 824 H GLY 118 H GLY 118 17.080 -31.633 -19.186 825 HA2 GLY 118 1HA GLY 118 19.416 -30.874 -18.149 826 HA3 GLY 118 2HA GLY 118 19.201 -31.175 -19.862 827 HA PRO 119 HA PRO 119 19.212 -26.492 -18.959 828 HB2 PRO 119 1HB PRO 119 20.728 -25.711 -16.824 829 HB3 PRO 119 2HB PRO 119 18.985 -25.873 -16.754 830 HG2 PRO 119 1HG PRO 119 21.058 -27.663 -15.644 831 HG3 PRO 119 2HG PRO 119 19.357 -27.567 -15.234 832 HD2 PRO 119 1HD PRO 119 20.620 -29.563 -16.862 833 HD3 PRO 119 2HD PRO 119 18.904 -29.399 -16.547 834 H SER 120 H SER 120 20.445 -25.225 -20.250 835 HA SER 120 HA SER 120 22.720 -26.432 -21.268 836 HB2 SER 120 1HB SER 120 21.359 -24.795 -22.521 837 HB3 SER 120 2HB SER 120 21.803 -23.525 -21.397 838 HG SER 120 HG SER 120 23.060 -23.624 -23.457 839 H SER 121 H SER 121 24.450 -26.860 -19.900 840 HA SER 121 HA SER 121 25.182 -24.875 -17.966 841 HB2 SER 121 1HB SER 121 26.657 -26.539 -17.067 842 HB3 SER 121 2HB SER 121 25.188 -27.380 -17.521 843 HG SER 121 HG SER 121 27.243 -28.428 -18.196 844 H GLY 122 H GLY 122 27.402 -23.969 -17.837 845 HA2 GLY 122 1HA GLY 122 29.583 -23.971 -19.065 846 HA3 GLY 122 2HA GLY 122 28.631 -23.740 -20.518 Start of MODEL 9 1 H1 GLY 1 H GLY 1 13.492 -27.648 0.587 2 HA2 GLY 1 1HA GLY 1 12.285 -26.662 2.929 3 HA3 GLY 1 2HA GLY 1 12.456 -28.400 3.076 4 H SER 2 H SER 2 14.134 -25.298 2.905 5 HA SER 2 HA SER 2 16.713 -26.354 2.636 6 HB2 SER 2 1HB SER 2 15.925 -23.944 2.220 7 HB3 SER 2 2HB SER 2 15.952 -23.718 3.958 8 HG SER 2 HG SER 2 18.254 -24.686 2.506 9 H SER 3 H SER 3 18.350 -26.711 4.257 10 HA SER 3 HA SER 3 17.301 -26.763 6.975 11 HB2 SER 3 1HB SER 3 18.578 -28.877 7.355 12 HB3 SER 3 2HB SER 3 17.305 -29.064 6.165 13 HG SER 3 HG SER 3 19.855 -28.316 5.166 14 H GLY 4 H GLY 4 18.396 -24.876 7.649 15 HA2 GLY 4 1HA GLY 4 20.235 -24.006 8.738 16 HA3 GLY 4 2HA GLY 4 21.282 -25.164 7.943 17 H SER 5 H SER 5 21.170 -24.897 5.331 18 HA SER 5 HA SER 5 21.705 -23.691 3.609 19 HB2 SER 5 1HB SER 5 19.512 -22.311 4.727 20 HB3 SER 5 2HB SER 5 20.687 -21.054 4.394 21 HG SER 5 HG SER 5 20.416 -21.310 2.273 22 H SER 6 H SER 6 23.976 -23.721 3.985 23 HA SER 6 HA SER 6 24.983 -21.379 5.397 24 HB2 SER 6 1HB SER 6 27.067 -22.680 5.734 25 HB3 SER 6 2HB SER 6 25.678 -23.507 6.411 26 HG SER 6 HG SER 6 26.236 -24.159 3.725 27 H GLY 7 H GLY 7 24.989 -19.887 3.649 28 HA2 GLY 7 1HA GLY 7 26.815 -19.104 2.161 29 HA3 GLY 7 2HA GLY 7 26.688 -20.651 1.350 30 H ALA 8 H ALA 8 24.662 -21.204 0.199 31 HA ALA 8 HA ALA 8 23.364 -18.761 -0.764 32 HB1 ALA 8 1HB ALA 8 22.731 -20.243 -2.697 33 HB2 ALA 8 2HB ALA 8 24.488 -20.053 -2.481 34 HB3 ALA 8 3HB ALA 8 23.682 -21.547 -1.947 35 H GLY 9 H GLY 9 20.969 -19.250 -1.526 36 HA2 GLY 9 1HA GLY 9 19.606 -21.091 0.292 37 HA3 GLY 9 2HA GLY 9 19.257 -19.382 0.466 38 H GLN 10 H GLN 10 17.494 -18.674 -0.643 39 HA GLN 10 HA GLN 10 17.150 -19.055 -3.332 40 HB2 GLN 10 1HB GLN 10 16.552 -21.442 -2.106 41 HB3 GLN 10 2HB GLN 10 14.975 -20.679 -2.100 42 HG2 GLN 10 1HG GLN 10 15.833 -20.109 -4.670 43 HG3 GLN 10 2HG GLN 10 16.592 -21.665 -4.398 44 HE21 GLN 10 1HE2 GLN 10 15.286 -22.684 -5.887 45 HE22 GLN 10 2HE2 GLN 10 13.620 -23.060 -5.599 46 H VAL 11 H VAL 11 14.131 -19.256 -3.171 47 HA VAL 11 HA VAL 11 12.466 -17.795 -3.085 48 HB VAL 11 HB VAL 11 12.608 -18.666 -0.753 49 HG11 VAL 11 1HG1 VAL 11 13.312 -16.821 0.950 50 HG12 VAL 11 2HG1 VAL 11 14.565 -17.831 0.190 51 HG13 VAL 11 3HG1 VAL 11 14.272 -16.179 -0.405 52 HG21 VAL 11 1HG2 VAL 11 11.609 -15.845 -0.558 53 HG22 VAL 11 2HG2 VAL 11 10.877 -16.936 -1.759 54 HG23 VAL 11 3HG2 VAL 11 10.849 -17.366 -0.032 55 H VAL 12 H VAL 12 11.856 -15.347 -2.514 56 HA VAL 12 HA VAL 12 14.172 -13.739 -3.348 57 HB VAL 12 HB VAL 12 12.390 -14.124 -5.063 58 HG11 VAL 12 1HG1 VAL 12 10.356 -14.189 -3.918 59 HG12 VAL 12 2HG1 VAL 12 10.724 -12.725 -2.974 60 HG13 VAL 12 3HG1 VAL 12 10.324 -12.592 -4.704 61 HG21 VAL 12 1HG2 VAL 12 13.928 -12.150 -5.049 62 HG22 VAL 12 2HG2 VAL 12 12.365 -11.844 -5.843 63 HG23 VAL 12 3HG2 VAL 12 12.665 -11.227 -4.200 64 H HIS 13 H HIS 13 13.984 -11.383 -2.669 65 HA HIS 13 HA HIS 13 12.907 -11.342 0.046 66 HB2 HIS 13 1HB HIS 13 14.520 -9.589 0.499 67 HB3 HIS 13 2HB HIS 13 15.319 -11.012 -0.141 68 HD1 HIS 13 1HD HIS 13 15.903 -10.860 -2.839 69 HD2 HIS 13 2HD HIS 13 15.124 -7.264 -0.827 70 HE1 HIS 13 1HE HIS 13 16.851 -9.000 -4.306 71 H THR 14 H THR 14 12.132 -9.078 0.777 72 HA THR 14 HA THR 14 10.817 -7.685 -1.450 73 HB THR 14 HB THR 14 8.847 -7.564 0.349 74 HG1 THR 14 1HG THR 14 10.343 -10.029 0.902 75 HG21 THR 14 1HG2 THR 14 7.968 -9.810 -0.439 76 HG22 THR 14 2HG2 THR 14 8.517 -8.772 -1.777 77 HG23 THR 14 3HG2 THR 14 9.545 -10.109 -1.208 78 H GLU 15 H GLU 15 10.572 -5.465 -1.224 79 HA GLU 15 HA GLU 15 11.946 -4.414 1.126 80 HB2 GLU 15 1HB GLU 15 12.084 -3.676 -1.787 81 HB3 GLU 15 2HB GLU 15 12.253 -2.384 -0.616 82 HG2 GLU 15 1HG GLU 15 13.997 -3.965 0.556 83 HG3 GLU 15 2HG GLU 15 14.000 -4.846 -0.958 84 H THR 16 H THR 16 11.179 -2.269 1.910 85 HA THR 16 HA THR 16 8.334 -1.876 1.248 86 HB THR 16 HB THR 16 8.494 -0.865 3.725 87 HG1 THR 16 1HG THR 16 10.537 -1.285 4.463 88 HG21 THR 16 1HG2 THR 16 8.341 -3.301 4.652 89 HG22 THR 16 2HG2 THR 16 7.110 -2.815 3.461 90 HG23 THR 16 3HG2 THR 16 8.491 -3.818 2.955 91 H THR 17 H THR 17 7.529 0.226 1.005 92 HA THR 17 HA THR 17 9.635 2.272 0.756 93 HB THR 17 HB THR 17 8.891 1.490 -1.469 94 HG1 THR 17 1HG THR 17 7.499 3.935 -0.637 95 HG21 THR 17 1HG2 THR 17 6.406 2.158 -2.021 96 HG22 THR 17 2HG2 THR 17 6.689 0.597 -1.214 97 HG23 THR 17 3HG2 THR 17 6.139 2.001 -0.268 98 H GLU 18 H GLU 18 8.951 4.498 1.105 99 HA GLU 18 HA GLU 18 6.672 4.546 2.927 100 HB2 GLU 18 1HB GLU 18 9.425 5.643 3.134 101 HB3 GLU 18 2HB GLU 18 8.168 6.771 3.602 102 HG2 GLU 18 1HG GLU 18 7.521 5.516 5.440 103 HG3 GLU 18 2HG GLU 18 7.856 3.986 4.654 104 H VAL 19 H VAL 19 4.940 5.573 2.031 105 HA VAL 19 HA VAL 19 5.492 7.614 0.009 106 HB VAL 19 HB VAL 19 2.856 6.305 0.669 107 HG11 VAL 19 1HG1 VAL 19 3.836 8.215 -1.351 108 HG12 VAL 19 2HG1 VAL 19 2.889 6.863 -2.017 109 HG13 VAL 19 3HG1 VAL 19 2.184 7.909 -0.761 110 HG21 VAL 19 1HG2 VAL 19 3.802 5.127 -1.675 111 HG22 VAL 19 2HG2 VAL 19 5.211 5.128 -0.587 112 HG23 VAL 19 3HG2 VAL 19 3.689 4.364 -0.070 113 H VAL 20 H VAL 20 5.534 9.681 0.713 114 HA VAL 20 HA VAL 20 3.930 10.308 3.085 115 HB VAL 20 HB VAL 20 6.426 11.474 1.875 116 HG11 VAL 20 1HG1 VAL 20 6.331 13.324 3.434 117 HG12 VAL 20 2HG1 VAL 20 4.858 13.328 2.434 118 HG13 VAL 20 3HG1 VAL 20 4.795 12.727 4.108 119 HG21 VAL 20 1HG2 VAL 20 5.903 9.629 3.956 120 HG22 VAL 20 2HG2 VAL 20 7.462 10.360 3.505 121 HG23 VAL 20 3HG2 VAL 20 6.438 11.136 4.737 122 H LEU 21 H LEU 21 1.903 10.871 2.383 123 HA LEU 21 HA LEU 21 1.763 12.659 0.071 124 HB2 LEU 21 1HB LEU 21 -0.423 11.083 1.435 125 HB3 LEU 21 2HB LEU 21 -0.585 12.037 -0.026 126 HG LEU 21 HG LEU 21 1.279 9.663 0.178 127 HD11 LEU 21 1HD1 LEU 21 -0.863 8.855 -1.373 128 HD12 LEU 21 2HD1 LEU 21 -0.524 8.360 0.303 129 HD13 LEU 21 3HD1 LEU 21 -1.633 9.714 -0.017 130 HD21 LEU 21 1HD2 LEU 21 0.733 9.773 -2.396 131 HD22 LEU 21 2HD2 LEU 21 0.370 11.475 -2.023 132 HD23 LEU 21 3HD2 LEU 21 1.985 10.812 -1.675 133 H THR 22 H THR 22 0.773 14.698 0.199 134 HA THR 22 HA THR 22 0.440 15.658 2.960 135 HB THR 22 HB THR 22 0.887 17.339 0.456 136 HG1 THR 22 1HG THR 22 2.768 16.138 0.446 137 HG21 THR 22 1HG2 THR 22 1.429 17.637 3.448 138 HG22 THR 22 2HG2 THR 22 2.233 18.662 2.234 139 HG23 THR 22 3HG2 THR 22 0.461 18.707 2.405 140 H ALA 23 H ALA 23 -1.611 15.648 3.634 141 HA ALA 23 HA ALA 23 -3.839 15.354 2.143 142 HB1 ALA 23 1HB ALA 23 -3.690 15.305 4.624 143 HB2 ALA 23 2HB ALA 23 -3.543 17.078 4.636 144 HB3 ALA 23 3HB ALA 23 -5.041 16.314 4.053 145 H ASP 24 H ASP 24 -4.132 16.427 0.212 146 HA ASP 24 HA ASP 24 -3.359 18.999 -0.280 147 HB2 ASP 24 1HB ASP 24 -4.755 16.927 -1.625 148 HB3 ASP 24 2HB ASP 24 -5.840 18.302 -1.685 149 HA PRO 25 HA PRO 25 -6.577 21.423 1.454 150 HB2 PRO 25 1HB PRO 25 -6.929 23.458 -0.336 151 HB3 PRO 25 2HB PRO 25 -5.604 23.408 0.809 152 HG2 PRO 25 1HG PRO 25 -5.561 22.879 -2.099 153 HG3 PRO 25 2HG PRO 25 -4.222 23.250 -1.031 154 HD2 PRO 25 1HD PRO 25 -4.917 20.672 -2.081 155 HD3 PRO 25 2HD PRO 25 -3.651 21.025 -0.922 156 H VAL 26 H VAL 26 -7.180 19.445 -1.006 157 HA VAL 26 HA VAL 26 -10.036 19.912 -0.697 158 HB VAL 26 HB VAL 26 -10.255 19.546 -3.208 159 HG11 VAL 26 1HG1 VAL 26 -9.881 21.978 -3.696 160 HG12 VAL 26 2HG1 VAL 26 -10.826 21.665 -2.221 161 HG13 VAL 26 3HG1 VAL 26 -9.112 22.129 -2.097 162 HG21 VAL 26 1HG2 VAL 26 -8.158 20.668 -4.374 163 HG22 VAL 26 2HG2 VAL 26 -7.301 19.991 -2.968 164 HG23 VAL 26 3HG2 VAL 26 -8.212 18.917 -4.057 165 H THR 27 H THR 27 -7.594 17.903 -2.500 166 HA THR 27 HA THR 27 -9.122 15.540 -1.650 167 HB THR 27 HB THR 27 -7.673 14.523 -3.578 168 HG1 THR 27 1HG THR 27 -6.448 16.064 -4.632 169 HG21 THR 27 1HG2 THR 27 -9.979 16.403 -3.771 170 HG22 THR 27 2HG2 THR 27 -9.031 16.251 -5.269 171 HG23 THR 27 3HG2 THR 27 -9.759 14.807 -4.526 172 H GLY 28 H GLY 28 -8.128 16.001 0.554 173 HA2 GLY 28 1HA GLY 28 -5.719 16.048 1.475 174 HA3 GLY 28 2HA GLY 28 -6.809 14.794 2.032 175 H PHE 29 H PHE 29 -6.647 12.620 1.168 176 HA PHE 29 HA PHE 29 -4.081 12.167 -0.185 177 HB2 PHE 29 1HB PHE 29 -5.713 10.232 1.548 178 HB3 PHE 29 2HB PHE 29 -4.024 10.077 1.111 179 HD1 PHE 29 2HD PHE 29 -2.634 12.337 1.855 180 HD2 PHE 29 1HD PHE 29 -6.086 10.757 3.750 181 HE1 PHE 29 2HE PHE 29 -1.976 13.469 3.997 182 HE2 PHE 29 1HE PHE 29 -5.428 11.888 5.892 183 HZ PHE 29 HZ PHE 29 -3.381 13.231 5.990 184 H GLY 30 H GLY 30 -7.575 11.593 -0.123 185 HA2 GLY 30 1HA GLY 30 -8.958 10.483 -1.511 186 HA3 GLY 30 2HA GLY 30 -7.857 10.995 -2.775 187 H ILE 31 H ILE 31 -7.718 8.587 -0.043 188 HA ILE 31 HA ILE 31 -6.941 6.594 -2.056 189 HB ILE 31 HB ILE 31 -5.906 6.729 0.773 190 HG12 ILE 31 1HG1 ILE 31 -4.611 7.724 -1.781 191 HG13 ILE 31 2HG1 ILE 31 -5.122 8.701 -0.419 192 HG21 ILE 31 1HG2 ILE 31 -4.252 5.297 -1.083 193 HG22 ILE 31 2HG2 ILE 31 -5.063 4.716 0.390 194 HG23 ILE 31 3HG2 ILE 31 -5.917 4.676 -1.171 195 HD11 ILE 31 1HD1 ILE 31 -2.640 7.232 -0.777 196 HD12 ILE 31 2HD1 ILE 31 -3.078 8.391 0.501 197 HD13 ILE 31 3HD1 ILE 31 -3.473 6.666 0.691 198 H GLN 32 H GLN 32 -7.782 4.475 -1.770 199 HA GLN 32 HA GLN 32 -9.806 4.313 0.321 200 HB2 GLN 32 1HB GLN 32 -10.087 3.924 -2.636 201 HB3 GLN 32 2HB GLN 32 -10.938 2.778 -1.619 202 HG2 GLN 32 1HG GLN 32 -11.444 5.283 -0.413 203 HG3 GLN 32 2HG GLN 32 -11.536 5.609 -2.132 204 HE21 GLN 32 1HE2 GLN 32 -13.355 4.946 0.403 205 HE22 GLN 32 2HE2 GLN 32 -14.648 4.020 -0.284 206 H LEU 33 H LEU 33 -10.002 2.286 1.356 207 HA LEU 33 HA LEU 33 -7.954 0.345 0.543 208 HB2 LEU 33 1HB LEU 33 -9.074 1.086 3.240 209 HB3 LEU 33 2HB LEU 33 -8.192 -0.404 2.968 210 HG LEU 33 HG LEU 33 -7.060 2.346 2.395 211 HD11 LEU 33 1HD1 LEU 33 -6.551 0.617 4.829 212 HD12 LEU 33 2HD1 LEU 33 -5.871 2.224 4.483 213 HD13 LEU 33 3HD1 LEU 33 -7.613 2.045 4.799 214 HD21 LEU 33 1HD2 LEU 33 -5.570 1.138 1.247 215 HD22 LEU 33 2HD2 LEU 33 -4.957 0.638 2.842 216 HD23 LEU 33 3HD2 LEU 33 -6.112 -0.397 1.968 217 H GLN 34 H GLN 34 -8.520 -1.971 0.893 218 HA GLN 34 HA GLN 34 -11.354 -2.311 0.316 219 HB2 GLN 34 1HB GLN 34 -10.721 -4.393 -0.820 220 HB3 GLN 34 2HB GLN 34 -9.784 -3.058 -1.458 221 HG2 GLN 34 1HG GLN 34 -7.805 -3.918 -0.695 222 HG3 GLN 34 2HG GLN 34 -8.482 -4.350 0.862 223 HE21 GLN 34 1HE2 GLN 34 -9.613 -6.306 1.115 224 HE22 GLN 34 2HE2 GLN 34 -9.367 -7.656 0.057 225 H GLY 35 H GLY 35 -12.195 -4.614 1.040 226 HA2 GLY 35 1HA GLY 35 -10.970 -5.529 3.527 227 HA3 GLY 35 2HA GLY 35 -12.567 -4.819 3.647 228 H SER 36 H SER 36 -13.239 -7.007 4.415 229 HA SER 36 HA SER 36 -14.150 -8.519 2.162 230 HB2 SER 36 1HB SER 36 -12.094 -9.553 4.106 231 HB3 SER 36 2HB SER 36 -13.324 -10.669 3.545 232 HG SER 36 HG SER 36 -11.511 -9.134 1.886 233 H VAL 37 H VAL 37 -15.801 -10.205 2.880 234 HA VAL 37 HA VAL 37 -17.300 -9.111 5.096 235 HB VAL 37 HB VAL 37 -17.870 -11.227 3.016 236 HG11 VAL 37 1HG1 VAL 37 -20.236 -11.083 3.837 237 HG12 VAL 37 2HG1 VAL 37 -19.107 -11.843 4.985 238 HG13 VAL 37 3HG1 VAL 37 -19.640 -10.163 5.239 239 HG21 VAL 37 1HG2 VAL 37 -19.113 -9.631 1.870 240 HG22 VAL 37 2HG2 VAL 37 -19.297 -8.591 3.303 241 HG23 VAL 37 3HG2 VAL 37 -17.730 -8.680 2.462 242 H PHE 38 H PHE 38 -15.974 -12.336 4.070 243 HA PHE 38 HA PHE 38 -16.373 -13.293 6.777 244 HB2 PHE 38 1HB PHE 38 -15.414 -14.444 4.096 245 HB3 PHE 38 2HB PHE 38 -15.380 -15.406 5.561 246 HD1 PHE 38 1HD PHE 38 -17.687 -13.482 3.372 247 HD2 PHE 38 2HD PHE 38 -17.282 -16.579 6.245 248 HE1 PHE 38 1HE PHE 38 -20.077 -14.149 2.990 249 HE2 PHE 38 2HE PHE 38 -19.672 -17.246 5.863 250 HZ PHE 38 HZ PHE 38 -21.040 -16.023 4.240 251 H ALA 39 H ALA 39 -14.763 -13.572 8.282 252 HA ALA 39 HA ALA 39 -12.060 -13.924 7.573 253 HB1 ALA 39 1HB ALA 39 -12.750 -11.194 8.727 254 HB2 ALA 39 2HB ALA 39 -11.138 -11.799 8.276 255 HB3 ALA 39 3HB ALA 39 -12.355 -11.483 7.016 256 H THR 40 H THR 40 -10.809 -13.046 9.915 257 HA THR 40 HA THR 40 -12.388 -14.443 11.976 258 HB THR 40 HB THR 40 -9.420 -14.481 11.259 259 HG1 THR 40 1HG THR 40 -10.061 -16.559 10.718 260 HG21 THR 40 1HG2 THR 40 -8.987 -15.763 13.258 261 HG22 THR 40 2HG2 THR 40 -9.853 -14.311 13.816 262 HG23 THR 40 3HG2 THR 40 -10.720 -15.858 13.655 263 H GLU 41 H GLU 41 -9.303 -12.678 12.349 264 HA GLU 41 HA GLU 41 -10.574 -11.145 14.404 265 HB2 GLU 41 1HB GLU 41 -8.133 -12.222 14.304 266 HB3 GLU 41 2HB GLU 41 -7.719 -10.704 13.531 267 HG2 GLU 41 1HG GLU 41 -8.300 -9.417 15.441 268 HG3 GLU 41 2HG GLU 41 -9.318 -10.678 16.107 269 H THR 42 H THR 42 -8.942 -10.585 11.225 270 HA THR 42 HA THR 42 -10.293 -7.975 11.138 271 HB THR 42 HB THR 42 -7.887 -7.661 11.717 272 HG1 THR 42 1HG THR 42 -7.666 -6.173 9.985 273 HG21 THR 42 1HG2 THR 42 -6.519 -9.329 10.838 274 HG22 THR 42 2HG2 THR 42 -7.563 -9.571 9.417 275 HG23 THR 42 3HG2 THR 42 -6.436 -8.193 9.470 276 H LEU 43 H LEU 43 -8.536 -7.982 8.439 277 HA LEU 43 HA LEU 43 -10.746 -9.101 6.926 278 HB2 LEU 43 1HB LEU 43 -8.389 -7.703 5.726 279 HB3 LEU 43 2HB LEU 43 -10.044 -7.789 5.157 280 HG LEU 43 HG LEU 43 -9.264 -6.288 7.664 281 HD11 LEU 43 1HD1 LEU 43 -9.093 -4.265 6.422 282 HD12 LEU 43 2HD1 LEU 43 -8.029 -5.456 5.637 283 HD13 LEU 43 3HD1 LEU 43 -9.610 -5.065 4.918 284 HD21 LEU 43 1HD2 LEU 43 -11.679 -5.932 5.877 285 HD22 LEU 43 2HD2 LEU 43 -11.659 -6.973 7.321 286 HD23 LEU 43 3HD2 LEU 43 -11.384 -5.221 7.482 287 H SER 44 H SER 44 -8.734 -10.772 8.467 288 HA SER 44 HA SER 44 -7.310 -12.423 8.160 289 HB2 SER 44 1HB SER 44 -9.794 -13.065 7.218 290 HB3 SER 44 2HB SER 44 -8.838 -13.431 5.795 291 HG SER 44 HG SER 44 -8.043 -15.173 6.758 292 H SER 45 H SER 45 -6.529 -10.012 6.676 293 HA SER 45 HA SER 45 -4.445 -10.982 5.244 294 HB2 SER 45 1HB SER 45 -5.110 -11.412 3.125 295 HB3 SER 45 2HB SER 45 -6.758 -11.370 3.719 296 HG SER 45 HG SER 45 -6.756 -9.866 2.090 297 HA PRO 46 HA PRO 46 -3.604 -6.712 5.284 298 HB2 PRO 46 1HB PRO 46 -1.810 -6.356 3.253 299 HB3 PRO 46 2HB PRO 46 -1.371 -7.021 4.814 300 HG2 PRO 46 1HG PRO 46 -1.719 -8.422 2.234 301 HG3 PRO 46 2HG PRO 46 -0.887 -8.968 3.677 302 HD2 PRO 46 1HD PRO 46 -3.482 -9.795 2.775 303 HD3 PRO 46 2HD PRO 46 -2.699 -10.251 4.275 304 HA PRO 47 HA PRO 47 -6.193 -4.587 2.673 305 HB2 PRO 47 1HB PRO 47 -5.626 -2.002 3.355 306 HB3 PRO 47 2HB PRO 47 -6.704 -3.024 4.285 307 HG2 PRO 47 1HG PRO 47 -3.933 -2.204 4.907 308 HG3 PRO 47 2HG PRO 47 -5.154 -2.850 5.984 309 HD2 PRO 47 1HD PRO 47 -2.909 -4.261 4.891 310 HD3 PRO 47 2HD PRO 47 -4.193 -4.936 5.874 311 H LEU 48 H LEU 48 -6.391 -3.570 0.667 312 HA LEU 48 HA LEU 48 -3.800 -2.756 -0.428 313 HB2 LEU 48 1HB LEU 48 -5.759 -4.427 -1.985 314 HB3 LEU 48 2HB LEU 48 -4.114 -3.996 -2.410 315 HG LEU 48 HG LEU 48 -4.612 -5.643 0.052 316 HD11 LEU 48 1HD1 LEU 48 -4.922 -6.544 -2.790 317 HD12 LEU 48 2HD1 LEU 48 -4.206 -7.646 -1.590 318 HD13 LEU 48 3HD1 LEU 48 -5.845 -6.999 -1.338 319 HD21 LEU 48 1HD2 LEU 48 -2.407 -6.560 -0.493 320 HD22 LEU 48 2HD2 LEU 48 -2.344 -5.549 -1.957 321 HD23 LEU 48 3HD2 LEU 48 -2.363 -4.786 -0.349 322 H ILE 49 H ILE 49 -3.879 -0.794 -1.404 323 HA ILE 49 HA ILE 49 -5.957 0.899 -1.199 324 HB ILE 49 HB ILE 49 -3.665 0.695 -3.104 325 HG12 ILE 49 1HG1 ILE 49 -4.426 2.742 -1.000 326 HG13 ILE 49 2HG1 ILE 49 -3.337 1.393 -0.745 327 HG21 ILE 49 1HG2 ILE 49 -6.099 2.280 -3.542 328 HG22 ILE 49 2HG2 ILE 49 -4.595 3.232 -3.558 329 HG23 ILE 49 3HG2 ILE 49 -4.785 1.848 -4.662 330 HD11 ILE 49 1HD1 ILE 49 -1.709 2.867 -1.375 331 HD12 ILE 49 2HD1 ILE 49 -2.260 2.513 -3.031 332 HD13 ILE 49 3HD1 ILE 49 -2.873 3.950 -2.177 333 H SER 50 H SER 50 -8.053 0.451 -1.683 334 HA SER 50 HA SER 50 -8.773 -1.234 -3.773 335 HB2 SER 50 1HB SER 50 -10.320 -0.999 -1.983 336 HB3 SER 50 2HB SER 50 -10.270 0.751 -2.041 337 HG SER 50 HG SER 50 -12.211 0.136 -3.008 338 H TYR 51 H TYR 51 -8.994 2.380 -3.402 339 HA TYR 51 HA TYR 51 -8.682 2.600 -6.296 340 HB2 TYR 51 1HB TYR 51 -11.151 2.607 -5.630 341 HB3 TYR 51 2HB TYR 51 -10.824 3.912 -4.508 342 HD1 TYR 51 1HD TYR 51 -10.931 3.018 -8.111 343 HD2 TYR 51 2HD TYR 51 -10.723 6.185 -5.241 344 HE1 TYR 51 1HE TYR 51 -11.388 4.719 -9.944 345 HE2 TYR 51 2HE TYR 51 -11.181 7.875 -7.085 346 HH TYR 51 HH TYR 51 -11.561 8.189 -9.181 347 H ILE 52 H ILE 52 -8.124 4.857 -6.970 348 HA ILE 52 HA ILE 52 -7.020 6.412 -4.746 349 HB ILE 52 HB ILE 52 -5.590 5.693 -7.308 350 HG12 ILE 52 1HG1 ILE 52 -4.738 5.021 -4.489 351 HG13 ILE 52 2HG1 ILE 52 -5.774 3.955 -5.417 352 HG21 ILE 52 1HG2 ILE 52 -3.756 7.028 -6.542 353 HG22 ILE 52 2HG2 ILE 52 -5.220 8.041 -6.533 354 HG23 ILE 52 3HG2 ILE 52 -4.583 7.383 -5.006 355 HD11 ILE 52 1HD1 ILE 52 -2.931 4.181 -5.558 356 HD12 ILE 52 2HD1 ILE 52 -3.990 3.152 -6.552 357 HD13 ILE 52 3HD1 ILE 52 -3.572 4.792 -7.103 358 H GLU 53 H GLU 53 -8.102 8.304 -4.732 359 HA GLU 53 HA GLU 53 -9.709 9.181 -6.731 360 HB2 GLU 53 1HB GLU 53 -8.914 10.075 -4.187 361 HB3 GLU 53 2HB GLU 53 -8.491 11.406 -5.245 362 HG2 GLU 53 1HG GLU 53 -11.012 10.666 -6.193 363 HG3 GLU 53 2HG GLU 53 -11.166 10.398 -4.469 364 H ALA 54 H ALA 54 -9.520 11.035 -8.249 365 HA ALA 54 HA ALA 54 -6.900 11.004 -9.500 366 HB1 ALA 54 1HB ALA 54 -9.715 11.689 -10.290 367 HB2 ALA 54 2HB ALA 54 -8.377 12.451 -11.184 368 HB3 ALA 54 3HB ALA 54 -8.511 10.678 -11.125 369 H ASP 55 H ASP 55 -6.018 13.139 -10.340 370 HA ASP 55 HA ASP 55 -5.112 15.053 -9.853 371 HB2 ASP 55 1HB ASP 55 -7.760 15.538 -10.250 372 HB3 ASP 55 2HB ASP 55 -7.625 16.140 -8.610 373 H SER 56 H SER 56 -5.136 12.977 -7.710 374 HA SER 56 HA SER 56 -5.188 14.707 -5.364 375 HB2 SER 56 1HB SER 56 -6.282 13.043 -4.304 376 HB3 SER 56 2HB SER 56 -6.335 12.150 -5.812 377 HG SER 56 HG SER 56 -4.898 10.774 -5.033 378 HA PRO 57 HA PRO 57 -0.939 13.943 -4.790 379 HB2 PRO 57 1HB PRO 57 -0.625 13.598 -2.097 380 HB3 PRO 57 2HB PRO 57 -0.834 15.170 -2.844 381 HG2 PRO 57 1HG PRO 57 -2.785 13.582 -1.292 382 HG3 PRO 57 2HG PRO 57 -2.818 15.292 -1.674 383 HD2 PRO 57 1HD PRO 57 -4.372 13.225 -2.916 384 HD3 PRO 57 2HD PRO 57 -4.318 14.915 -3.375 385 H ALA 58 H ALA 58 -3.084 11.483 -3.843 386 HA ALA 58 HA ALA 58 -1.009 9.568 -3.345 387 HB1 ALA 58 1HB ALA 58 -4.025 9.374 -3.701 388 HB2 ALA 58 2HB ALA 58 -2.978 7.996 -3.284 389 HB3 ALA 58 3HB ALA 58 -3.117 9.377 -2.170 390 H GLU 59 H GLU 59 -2.864 10.797 -6.095 391 HA GLU 59 HA GLU 59 -1.960 8.562 -7.698 392 HB2 GLU 59 1HB GLU 59 -4.365 9.450 -7.776 393 HB3 GLU 59 2HB GLU 59 -3.733 10.885 -8.559 394 HG2 GLU 59 1HG GLU 59 -4.330 9.533 -10.395 395 HG3 GLU 59 2HG GLU 59 -2.611 9.227 -10.250 396 H ARG 60 H ARG 60 -0.951 11.669 -6.727 397 HA ARG 60 HA ARG 60 0.155 12.472 -9.200 398 HB2 ARG 60 1HB ARG 60 0.193 13.446 -6.355 399 HB3 ARG 60 2HB ARG 60 1.522 13.971 -7.370 400 HG2 ARG 60 1HG ARG 60 -0.728 14.327 -9.017 401 HG3 ARG 60 2HG ARG 60 -1.313 14.787 -7.430 402 HD2 ARG 60 1HD ARG 60 0.696 16.313 -7.179 403 HD3 ARG 60 2HD ARG 60 1.172 15.907 -8.816 404 HE ARG 60 HE ARG 60 -0.607 17.214 -9.660 405 HH11 ARG 60 2HH2 ARG 60 -0.902 16.855 -6.172 406 HH12 ARG 60 1HH2 ARG 60 -2.133 18.064 -6.023 407 HH21 ARG 60 2HH1 ARG 60 -2.231 18.809 -9.465 408 HH22 ARG 60 1HH1 ARG 60 -2.895 19.183 -7.909 409 H CYS 61 H CYS 61 1.295 10.820 -6.211 410 HA CYS 61 HA CYS 61 4.010 10.901 -6.743 411 HB2 CYS 61 1HB CYS 61 4.098 8.856 -5.248 412 HB3 CYS 61 2HB CYS 61 3.331 10.275 -4.564 413 HG CYS 61 HG CYS 61 1.076 9.481 -4.344 414 H GLY 62 H GLY 62 1.378 8.650 -7.755 415 HA2 GLY 62 1HA GLY 62 1.268 7.328 -9.597 416 HA3 GLY 62 2HA GLY 62 2.873 7.846 -10.073 417 H VAL 63 H VAL 63 3.241 6.998 -6.873 418 HA VAL 63 HA VAL 63 4.346 4.431 -7.628 419 HB VAL 63 HB VAL 63 5.423 4.510 -5.483 420 HG11 VAL 63 1HG1 VAL 63 6.362 7.012 -5.706 421 HG12 VAL 63 2HG1 VAL 63 6.787 5.720 -6.854 422 HG13 VAL 63 3HG1 VAL 63 5.517 6.896 -7.268 423 HG21 VAL 63 1HG2 VAL 63 4.103 5.335 -3.830 424 HG22 VAL 63 2HG2 VAL 63 4.954 6.850 -4.215 425 HG23 VAL 63 3HG2 VAL 63 3.337 6.541 -4.892 426 H LEU 64 H LEU 64 1.600 5.843 -5.880 427 HA LEU 64 HA LEU 64 0.928 3.356 -4.610 428 HB2 LEU 64 1HB LEU 64 -0.599 5.951 -4.861 429 HB3 LEU 64 2HB LEU 64 -1.058 4.590 -3.857 430 HG LEU 64 HG LEU 64 1.513 6.161 -3.530 431 HD11 LEU 64 1HD1 LEU 64 -0.250 6.543 -1.333 432 HD12 LEU 64 2HD1 LEU 64 0.367 7.746 -2.491 433 HD13 LEU 64 3HD1 LEU 64 -1.157 6.890 -2.826 434 HD21 LEU 64 1HD2 LEU 64 1.805 4.998 -1.464 435 HD22 LEU 64 2HD2 LEU 64 0.215 4.213 -1.611 436 HD23 LEU 64 3HD2 LEU 64 1.526 3.785 -2.736 437 H GLN 65 H GLN 65 0.526 1.736 -6.089 438 HA GLN 65 HA GLN 65 -1.222 2.391 -8.293 439 HB2 GLN 65 1HB GLN 65 0.495 -0.025 -7.620 440 HB3 GLN 65 2HB GLN 65 -0.671 -0.066 -8.928 441 HG2 GLN 65 1HG GLN 65 0.586 1.310 -10.277 442 HG3 GLN 65 2HG GLN 65 1.081 2.339 -8.948 443 HE21 GLN 65 1HE2 GLN 65 2.351 0.853 -7.211 444 HE22 GLN 65 2HE2 GLN 65 3.733 0.047 -7.873 445 H ILE 66 H ILE 66 -3.202 1.189 -8.720 446 HA ILE 66 HA ILE 66 -4.773 0.804 -6.467 447 HB ILE 66 HB ILE 66 -5.111 -0.127 -9.318 448 HG12 ILE 66 1HG1 ILE 66 -4.904 2.393 -8.644 449 HG13 ILE 66 2HG1 ILE 66 -6.138 1.874 -9.775 450 HG21 ILE 66 1HG2 ILE 66 -6.773 -1.399 -8.533 451 HG22 ILE 66 2HG2 ILE 66 -6.739 -0.624 -6.931 452 HG23 ILE 66 3HG2 ILE 66 -7.637 0.134 -8.267 453 HD11 ILE 66 1HD1 ILE 66 -7.862 2.285 -8.307 454 HD12 ILE 66 2HD1 ILE 66 -6.919 1.760 -6.892 455 HD13 ILE 66 3HD1 ILE 66 -6.672 3.386 -7.572 456 H GLY 67 H GLY 67 -4.594 -0.723 -4.924 457 HA2 GLY 67 1HA GLY 67 -4.830 -2.956 -4.262 458 HA3 GLY 67 2HA GLY 67 -4.152 -3.495 -5.786 459 H ASP 68 H ASP 68 -2.724 -0.804 -3.923 460 HA ASP 68 HA ASP 68 -0.199 -1.784 -4.036 461 HB2 ASP 68 1HB ASP 68 -1.658 0.227 -2.381 462 HB3 ASP 68 2HB ASP 68 -0.153 -0.337 -1.682 463 H ARG 69 H ARG 69 0.983 -1.910 -1.511 464 HA ARG 69 HA ARG 69 -0.486 -4.049 -0.193 465 HB2 ARG 69 1HB ARG 69 2.556 -3.936 -0.457 466 HB3 ARG 69 2HB ARG 69 1.602 -5.272 0.158 467 HG2 ARG 69 1HG ARG 69 2.190 -5.862 -2.099 468 HG3 ARG 69 2HG ARG 69 0.493 -5.430 -2.141 469 HD2 ARG 69 1HD ARG 69 0.869 -3.638 -3.511 470 HD3 ARG 69 2HD ARG 69 2.228 -3.081 -2.555 471 HE ARG 69 HE ARG 69 2.777 -5.485 -4.166 472 HH11 ARG 69 2HH2 ARG 69 2.870 -1.970 -4.034 473 HH12 ARG 69 1HH2 ARG 69 4.064 -1.827 -5.280 474 HH21 ARG 69 2HH1 ARG 69 4.353 -5.297 -5.810 475 HH22 ARG 69 1HH1 ARG 69 4.914 -3.732 -6.297 476 H VAL 70 H VAL 70 -1.062 -1.765 0.917 477 HA VAL 70 HA VAL 70 0.850 -0.505 2.505 478 HB VAL 70 HB VAL 70 -1.378 0.363 1.818 479 HG11 VAL 70 1HG1 VAL 70 -2.814 -0.758 4.109 480 HG12 VAL 70 2HG1 VAL 70 -3.323 -0.582 2.412 481 HG13 VAL 70 3HG1 VAL 70 -2.357 -1.992 2.910 482 HG21 VAL 70 1HG2 VAL 70 -1.883 1.099 4.396 483 HG22 VAL 70 2HG2 VAL 70 -0.202 0.530 4.525 484 HG23 VAL 70 3HG2 VAL 70 -0.619 1.818 3.370 485 H MET 71 H MET 71 2.165 -2.064 3.556 486 HA MET 71 HA MET 71 1.036 -4.124 5.078 487 HB2 MET 71 1HB MET 71 3.793 -2.807 5.367 488 HB3 MET 71 2HB MET 71 3.371 -4.433 5.868 489 HG2 MET 71 1HG MET 71 3.497 -3.370 3.009 490 HG3 MET 71 2HG MET 71 4.541 -4.578 3.730 491 HE1 MET 71 1HE MET 71 2.722 -7.802 3.561 492 HE2 MET 71 2HE MET 71 4.249 -6.890 3.624 493 HE3 MET 71 3HE MET 71 3.139 -6.865 5.015 494 H ALA 72 H ALA 72 1.841 -0.729 5.728 495 HA ALA 72 HA ALA 72 0.516 -0.941 8.280 496 HB1 ALA 72 1HB ALA 72 3.424 -0.061 8.064 497 HB2 ALA 72 2HB ALA 72 2.410 0.064 9.521 498 HB3 ALA 72 3HB ALA 72 2.832 -1.536 8.864 499 H ILE 73 H ILE 73 0.123 1.279 9.205 500 HA ILE 73 HA ILE 73 0.363 3.351 7.149 501 HB ILE 73 HB ILE 73 -2.127 2.519 8.631 502 HG12 ILE 73 1HG1 ILE 73 -1.539 2.810 5.670 503 HG13 ILE 73 2HG1 ILE 73 -1.589 1.294 6.548 504 HG21 ILE 73 1HG2 ILE 73 -2.547 4.727 6.832 505 HG22 ILE 73 2HG2 ILE 73 -2.940 4.581 8.562 506 HG23 ILE 73 3HG2 ILE 73 -1.334 5.160 8.060 507 HD11 ILE 73 1HD1 ILE 73 -4.000 2.809 7.128 508 HD12 ILE 73 2HD1 ILE 73 -3.776 2.679 5.367 509 HD13 ILE 73 3HD1 ILE 73 -3.843 1.208 6.366 510 H ASN 74 H ASN 74 1.855 4.675 8.085 511 HA ASN 74 HA ASN 74 2.575 6.230 9.436 512 HB2 ASN 74 1HB ASN 74 -0.158 6.041 10.260 513 HB3 ASN 74 2HB ASN 74 0.778 6.023 11.742 514 HD21 ASN 74 1HD2 ASN 74 -0.856 7.980 9.826 515 HD22 ASN 74 2HD2 ASN 74 0.013 9.471 9.969 516 H GLY 75 H GLY 75 2.377 2.994 9.946 517 HA2 GLY 75 1HA GLY 75 4.237 1.991 11.130 518 HA3 GLY 75 2HA GLY 75 3.940 3.097 12.456 519 H ILE 76 H ILE 76 0.863 2.635 11.663 520 HA ILE 76 HA ILE 76 0.440 0.703 13.697 521 HB ILE 76 HB ILE 76 -1.434 2.041 11.744 522 HG12 ILE 76 1HG1 ILE 76 -0.376 2.754 14.453 523 HG13 ILE 76 2HG1 ILE 76 -0.633 3.769 13.048 524 HG21 ILE 76 1HG2 ILE 76 -2.141 -0.221 12.803 525 HG22 ILE 76 2HG2 ILE 76 -2.298 0.723 14.303 526 HG23 ILE 76 3HG2 ILE 76 -3.258 1.163 12.870 527 HD11 ILE 76 1HD1 ILE 76 -2.403 4.417 14.454 528 HD12 ILE 76 2HD1 ILE 76 -3.188 3.207 13.411 529 HD13 ILE 76 3HD1 ILE 76 -2.663 2.761 15.053 530 HA PRO 77 HA PRO 77 0.512 -2.840 11.219 531 HB2 PRO 77 1HB PRO 77 -0.652 -4.624 12.931 532 HB3 PRO 77 2HB PRO 77 1.038 -4.168 13.025 533 HG2 PRO 77 1HG PRO 77 -1.204 -3.342 14.766 534 HG3 PRO 77 2HG PRO 77 0.518 -3.252 15.077 535 HD2 PRO 77 1HD PRO 77 -1.208 -1.082 14.344 536 HD3 PRO 77 2HD PRO 77 0.532 -1.017 14.542 537 H THR 78 H THR 78 -0.647 -2.585 9.383 538 HA THR 78 HA THR 78 -3.488 -2.379 9.567 539 HB THR 78 HB THR 78 -3.279 -2.353 7.075 540 HG1 THR 78 1HG THR 78 -1.617 -3.885 6.748 541 HG21 THR 78 1HG2 THR 78 -2.678 -0.177 7.678 542 HG22 THR 78 2HG2 THR 78 -1.404 -0.733 8.790 543 HG23 THR 78 3HG2 THR 78 -1.110 -0.721 7.034 544 H GLU 79 H GLU 79 -3.726 -4.353 10.977 545 HA GLU 79 HA GLU 79 -4.893 -6.337 9.499 546 HB2 GLU 79 1HB GLU 79 -2.225 -6.704 9.197 547 HB3 GLU 79 2HB GLU 79 -2.440 -7.581 10.698 548 HG2 GLU 79 1HG GLU 79 -4.424 -8.786 9.526 549 HG3 GLU 79 2HG GLU 79 -3.818 -8.099 8.032 550 H ASP 80 H ASP 80 -5.704 -4.842 11.647 551 HA ASP 80 HA ASP 80 -6.558 -6.758 13.410 552 HB2 ASP 80 1HB ASP 80 -4.240 -6.792 14.267 553 HB3 ASP 80 2HB ASP 80 -4.254 -5.050 14.458 554 H SER 81 H SER 81 -5.533 -3.363 12.821 555 HA SER 81 HA SER 81 -7.350 -2.242 14.652 556 HB2 SER 81 1HB SER 81 -5.941 -0.999 12.247 557 HB3 SER 81 2HB SER 81 -6.775 -0.094 13.495 558 HG SER 81 HG SER 81 -4.750 -0.069 14.297 559 H THR 82 H THR 82 -7.796 -3.865 11.715 560 HA THR 82 HA THR 82 -9.544 -4.127 10.364 561 HB THR 82 HB THR 82 -11.635 -3.939 11.376 562 HG1 THR 82 1HG THR 82 -10.499 -1.355 12.148 563 HG21 THR 82 1HG2 THR 82 -10.347 -2.862 13.872 564 HG22 THR 82 2HG2 THR 82 -11.447 -4.247 13.679 565 HG23 THR 82 3HG2 THR 82 -9.725 -4.413 13.260 566 H PHE 83 H PHE 83 -10.364 -3.234 8.476 567 HA PHE 83 HA PHE 83 -9.098 -1.118 7.402 568 HB2 PHE 83 1HB PHE 83 -10.438 -2.473 5.962 569 HB3 PHE 83 2HB PHE 83 -11.796 -2.469 7.070 570 HD1 PHE 83 2HD PHE 83 -13.182 -0.349 7.267 571 HD2 PHE 83 1HD PHE 83 -10.343 -0.951 4.171 572 HE1 PHE 83 2HE PHE 83 -14.291 1.442 5.902 573 HE2 PHE 83 1HE PHE 83 -11.452 0.840 2.806 574 HZ PHE 83 HZ PHE 83 -13.413 2.015 3.688 575 H GLU 84 H GLU 84 -11.938 -1.056 9.565 576 HA GLU 84 HA GLU 84 -12.872 1.441 9.036 577 HB2 GLU 84 1HB GLU 84 -12.881 -0.397 11.387 578 HB3 GLU 84 2HB GLU 84 -13.233 1.281 11.751 579 HG2 GLU 84 1HG GLU 84 -15.363 0.874 11.077 580 HG3 GLU 84 2HG GLU 84 -14.748 0.803 9.437 581 H GLU 85 H GLU 85 -10.058 0.429 11.029 582 HA GLU 85 HA GLU 85 -9.614 3.063 11.977 583 HB2 GLU 85 1HB GLU 85 -8.102 0.444 12.116 584 HB3 GLU 85 2HB GLU 85 -7.319 1.928 12.621 585 HG2 GLU 85 1HG GLU 85 -8.614 0.538 14.419 586 HG3 GLU 85 2HG GLU 85 -8.818 2.278 14.412 587 H ALA 86 H ALA 86 -7.906 0.862 9.638 588 HA ALA 86 HA ALA 86 -5.888 2.422 8.819 589 HB1 ALA 86 1HB ALA 86 -6.870 0.090 8.009 590 HB2 ALA 86 2HB ALA 86 -7.567 1.089 6.711 591 HB3 ALA 86 3HB ALA 86 -5.804 1.049 6.955 592 H ASN 87 H ASN 87 -9.323 2.650 7.683 593 HA ASN 87 HA ASN 87 -8.877 4.679 5.880 594 HB2 ASN 87 1HB ASN 87 -11.011 3.223 6.328 595 HB3 ASN 87 2HB ASN 87 -11.418 4.410 7.552 596 HD21 ASN 87 1HD2 ASN 87 -12.842 3.755 5.143 597 HD22 ASN 87 2HD2 ASN 87 -12.956 5.187 4.175 598 H GLN 88 H GLN 88 -10.005 4.738 9.344 599 HA GLN 88 HA GLN 88 -10.272 7.456 9.563 600 HB2 GLN 88 1HB GLN 88 -10.320 5.165 11.294 601 HB3 GLN 88 2HB GLN 88 -9.313 6.374 12.064 602 HG2 GLN 88 1HG GLN 88 -11.531 6.867 12.804 603 HG3 GLN 88 2HG GLN 88 -11.190 8.074 11.579 604 HE21 GLN 88 1HE2 GLN 88 -12.249 4.668 11.627 605 HE22 GLN 88 2HE2 GLN 88 -13.613 4.848 10.574 606 H LEU 89 H LEU 89 -7.391 5.343 10.089 607 HA LEU 89 HA LEU 89 -5.634 7.021 11.217 608 HB2 LEU 89 1HB LEU 89 -5.107 5.171 8.887 609 HB3 LEU 89 2HB LEU 89 -3.883 5.842 9.947 610 HG LEU 89 HG LEU 89 -5.861 3.666 10.448 611 HD11 LEU 89 1HD1 LEU 89 -2.987 4.099 11.311 612 HD12 LEU 89 2HD1 LEU 89 -3.949 2.620 11.550 613 HD13 LEU 89 3HD1 LEU 89 -3.530 3.152 9.905 614 HD21 LEU 89 1HD2 LEU 89 -6.536 5.196 12.168 615 HD22 LEU 89 2HD2 LEU 89 -5.554 3.909 12.910 616 HD23 LEU 89 3HD2 LEU 89 -4.844 5.515 12.620 617 H LEU 90 H LEU 90 -6.868 7.156 7.860 618 HA LEU 90 HA LEU 90 -5.022 9.148 7.039 619 HB2 LEU 90 1HB LEU 90 -7.633 8.145 5.911 620 HB3 LEU 90 2HB LEU 90 -6.666 9.385 5.137 621 HG LEU 90 HG LEU 90 -6.031 6.468 5.531 622 HD11 LEU 90 1HD1 LEU 90 -6.965 6.572 3.475 623 HD12 LEU 90 2HD1 LEU 90 -6.573 8.295 3.257 624 HD13 LEU 90 3HD1 LEU 90 -5.318 7.058 3.005 625 HD21 LEU 90 1HD2 LEU 90 -3.975 7.244 6.202 626 HD22 LEU 90 2HD2 LEU 90 -3.755 7.186 4.437 627 HD23 LEU 90 3HD2 LEU 90 -4.096 8.737 5.241 628 H ARG 91 H ARG 91 -8.589 9.279 7.748 629 HA ARG 91 HA ARG 91 -8.970 11.890 7.558 630 HB2 ARG 91 1HB ARG 91 -10.060 9.838 9.503 631 HB3 ARG 91 2HB ARG 91 -10.556 11.509 9.682 632 HG2 ARG 91 1HG ARG 91 -10.811 11.047 6.920 633 HG3 ARG 91 2HG ARG 91 -11.337 9.535 7.633 634 HD2 ARG 91 1HD ARG 91 -12.944 10.765 9.094 635 HD3 ARG 91 2HD ARG 91 -12.401 12.291 8.425 636 HE ARG 91 HE ARG 91 -13.121 10.864 6.171 637 HH11 ARG 91 2HH2 ARG 91 -14.774 11.622 9.184 638 HH12 ARG 91 1HH2 ARG 91 -16.352 11.605 8.470 639 HH21 ARG 91 2HH1 ARG 91 -15.203 10.842 5.230 640 HH22 ARG 91 1HH1 ARG 91 -16.598 11.159 6.206 641 H ASP 92 H ASP 92 -7.064 10.211 10.016 642 HA ASP 92 HA ASP 92 -7.046 12.450 11.782 643 HB2 ASP 92 1HB ASP 92 -6.849 10.268 12.788 644 HB3 ASP 92 2HB ASP 92 -5.583 9.785 11.677 645 H SER 93 H SER 93 -4.784 10.714 9.529 646 HA SER 93 HA SER 93 -2.502 12.030 9.945 647 HB2 SER 93 1HB SER 93 -3.792 10.753 7.591 648 HB3 SER 93 2HB SER 93 -2.506 11.873 7.185 649 HG SER 93 HG SER 93 -1.798 10.230 9.312 650 H SER 94 H SER 94 -5.479 13.289 8.496 651 HA SER 94 HA SER 94 -4.577 15.364 7.029 652 HB2 SER 94 1HB SER 94 -7.016 14.515 7.742 653 HB3 SER 94 2HB SER 94 -6.903 15.835 8.890 654 HG SER 94 HG SER 94 -6.121 16.501 6.265 655 H ILE 95 H ILE 95 -4.939 15.132 10.608 656 HA ILE 95 HA ILE 95 -4.606 17.704 11.367 657 HB ILE 95 HB ILE 95 -3.686 15.097 12.519 658 HG12 ILE 95 1HG1 ILE 95 -5.461 16.823 14.074 659 HG13 ILE 95 2HG1 ILE 95 -6.108 16.469 12.485 660 HG21 ILE 95 1HG2 ILE 95 -3.300 16.600 14.649 661 HG22 ILE 95 2HG2 ILE 95 -1.996 16.317 13.470 662 HG23 ILE 95 3HG2 ILE 95 -2.916 17.840 13.432 663 HD11 ILE 95 1HD1 ILE 95 -6.821 14.516 13.423 664 HD12 ILE 95 2HD1 ILE 95 -5.130 13.988 13.249 665 HD13 ILE 95 3HD1 ILE 95 -5.696 14.665 14.795 666 H THR 96 H THR 96 -1.764 15.447 11.281 667 HA THR 96 HA THR 96 0.072 17.584 11.143 668 HB THR 96 HB THR 96 0.476 15.257 12.071 669 HG1 THR 96 1HG THR 96 2.091 16.013 9.741 670 HG21 THR 96 1HG2 THR 96 1.044 14.387 9.229 671 HG22 THR 96 2HG2 THR 96 0.744 13.386 10.669 672 HG23 THR 96 3HG2 THR 96 -0.612 14.201 9.854 673 H SER 97 H SER 97 -2.064 16.347 8.796 674 HA SER 97 HA SER 97 -2.302 16.751 6.677 675 HB2 SER 97 1HB SER 97 -0.298 18.861 7.405 676 HB3 SER 97 2HB SER 97 -0.520 18.548 5.695 677 HG SER 97 HG SER 97 -1.958 20.223 6.620 678 H LYS 98 H LYS 98 -0.367 14.698 7.753 679 HA LYS 98 HA LYS 98 0.880 14.102 5.211 680 HB2 LYS 98 1HB LYS 98 2.463 15.463 6.848 681 HB3 LYS 98 2HB LYS 98 2.664 13.898 7.609 682 HG2 LYS 98 1HG LYS 98 4.283 13.581 6.022 683 HG3 LYS 98 2HG LYS 98 2.938 13.183 4.972 684 HD2 LYS 98 1HD LYS 98 3.482 14.933 3.642 685 HD3 LYS 98 2HD LYS 98 3.110 16.030 4.956 686 HE2 LYS 98 1HE LYS 98 5.772 14.659 5.114 687 HE3 LYS 98 2HE LYS 98 5.590 15.828 3.821 688 HZ1 LYS 98 1HZ LYS 98 6.225 17.139 5.539 689 HZ2 LYS 98 2HZ LYS 98 4.606 17.252 5.726 690 HZ3 LYS 98 3HZ LYS 98 5.472 16.257 6.689 691 H VAL 99 H VAL 99 1.234 11.846 4.913 692 HA VAL 99 HA VAL 99 0.426 10.140 7.136 693 HB VAL 99 HB VAL 99 -1.603 10.652 5.857 694 HG11 VAL 99 1HG1 VAL 99 -0.918 9.097 3.476 695 HG12 VAL 99 2HG1 VAL 99 -1.725 10.677 3.619 696 HG13 VAL 99 3HG1 VAL 99 0.053 10.582 3.628 697 HG21 VAL 99 1HG2 VAL 99 -1.826 8.051 5.030 698 HG22 VAL 99 2HG2 VAL 99 -0.463 7.949 6.170 699 HG23 VAL 99 3HG2 VAL 99 -2.027 8.608 6.708 700 H THR 100 H THR 100 1.576 8.227 7.215 701 HA THR 100 HA THR 100 3.498 7.846 5.016 702 HB THR 100 HB THR 100 3.595 7.307 8.023 703 HG1 THR 100 1HG THR 100 5.099 8.797 5.988 704 HG21 THR 100 1HG2 THR 100 5.925 6.488 7.593 705 HG22 THR 100 2HG2 THR 100 4.717 5.401 6.866 706 HG23 THR 100 3HG2 THR 100 5.611 6.550 5.842 707 H LEU 101 H LEU 101 2.664 6.425 3.592 708 HA LEU 101 HA LEU 101 1.203 4.146 4.672 709 HB2 LEU 101 1HB LEU 101 1.511 5.260 1.884 710 HB3 LEU 101 2HB LEU 101 0.688 3.754 2.242 711 HG LEU 101 HG LEU 101 -0.134 6.390 3.476 712 HD11 LEU 101 1HD1 LEU 101 -1.732 5.278 1.237 713 HD12 LEU 101 2HD1 LEU 101 -1.417 6.966 1.706 714 HD13 LEU 101 3HD1 LEU 101 -0.184 6.046 0.810 715 HD21 LEU 101 1HD2 LEU 101 -1.703 5.244 4.554 716 HD22 LEU 101 2HD2 LEU 101 -2.204 4.398 3.070 717 HD23 LEU 101 3HD2 LEU 101 -0.861 3.759 4.049 718 H GLU 102 H GLU 102 2.399 2.416 5.251 719 HA GLU 102 HA GLU 102 4.957 2.063 4.002 720 HB2 GLU 102 1HB GLU 102 4.519 1.778 6.498 721 HB3 GLU 102 2HB GLU 102 3.618 0.324 6.117 722 HG2 GLU 102 1HG GLU 102 5.512 -0.896 5.692 723 HG3 GLU 102 2HG GLU 102 6.279 0.413 4.815 724 H ILE 103 H ILE 103 5.127 0.974 2.094 725 HA ILE 103 HA ILE 103 3.166 -1.159 1.614 726 HB ILE 103 HB ILE 103 4.728 0.385 -0.452 727 HG12 ILE 103 1HG1 ILE 103 2.976 1.636 1.134 728 HG13 ILE 103 2HG1 ILE 103 3.162 2.017 -0.566 729 HG21 ILE 103 1HG2 ILE 103 2.659 -1.757 -0.504 730 HG22 ILE 103 2HG2 ILE 103 2.563 -0.482 -1.742 731 HG23 ILE 103 3HG2 ILE 103 4.042 -1.460 -1.586 732 HD11 ILE 103 1HD1 ILE 103 1.266 -0.211 0.095 733 HD12 ILE 103 2HD1 ILE 103 0.761 1.438 0.534 734 HD13 ILE 103 3HD1 ILE 103 1.148 1.047 -1.158 735 H GLU 104 H GLU 104 4.091 -2.940 0.106 736 HA GLU 104 HA GLU 104 6.913 -3.326 0.597 737 HB2 GLU 104 1HB GLU 104 6.167 -4.541 2.461 738 HB3 GLU 104 2HB GLU 104 4.690 -5.058 1.671 739 HG2 GLU 104 1HG GLU 104 5.732 -6.813 0.540 740 HG3 GLU 104 2HG GLU 104 7.275 -5.988 0.449 741 H PHE 105 H PHE 105 7.892 -4.003 -1.267 742 HA PHE 105 HA PHE 105 6.168 -5.353 -3.225 743 HB2 PHE 105 1HB PHE 105 7.936 -4.197 -4.827 744 HB3 PHE 105 2HB PHE 105 6.677 -3.191 -4.137 745 HD1 PHE 105 2HD PHE 105 7.265 -1.958 -1.928 746 HD2 PHE 105 1HD PHE 105 10.168 -3.604 -4.549 747 HE1 PHE 105 2HE PHE 105 9.010 -0.447 -0.943 748 HE2 PHE 105 1HE PHE 105 11.913 -2.093 -3.564 749 HZ PHE 105 HZ PHE 105 11.314 -0.532 -1.773 750 H ASP 106 H ASP 106 7.830 -6.327 -5.047 751 HA ASP 106 HA ASP 106 9.579 -8.011 -3.455 752 HB2 ASP 106 1HB ASP 106 9.537 -9.452 -5.592 753 HB3 ASP 106 2HB ASP 106 8.041 -9.349 -4.686 754 H VAL 107 H VAL 107 11.769 -8.509 -4.366 755 HA VAL 107 HA VAL 107 12.644 -6.593 -6.405 756 HB VAL 107 HB VAL 107 14.160 -7.269 -3.879 757 HG11 VAL 107 1HG1 VAL 107 15.821 -5.824 -4.583 758 HG12 VAL 107 2HG1 VAL 107 15.308 -6.537 -6.132 759 HG13 VAL 107 3HG1 VAL 107 14.731 -4.920 -5.661 760 HG21 VAL 107 1HG2 VAL 107 12.228 -5.063 -4.504 761 HG22 VAL 107 2HG2 VAL 107 12.490 -5.958 -2.987 762 HG23 VAL 107 3HG2 VAL 107 13.647 -4.703 -3.492 763 H ALA 108 H ALA 108 14.189 -7.391 -7.861 764 HA ALA 108 HA ALA 108 14.216 -10.192 -8.169 765 HB1 ALA 108 1HB ALA 108 14.812 -9.564 -10.242 766 HB2 ALA 108 2HB ALA 108 14.821 -7.875 -9.681 767 HB3 ALA 108 3HB ALA 108 16.318 -8.837 -9.634 768 H GLU 109 H GLU 109 16.079 -11.640 -8.099 769 HA GLU 109 HA GLU 109 17.881 -10.818 -5.973 770 HB2 GLU 109 1HB GLU 109 16.983 -13.538 -6.993 771 HB3 GLU 109 2HB GLU 109 18.354 -13.370 -5.914 772 HG2 GLU 109 1HG GLU 109 16.044 -11.819 -4.959 773 HG3 GLU 109 2HG GLU 109 15.633 -13.509 -5.172 774 H SER 110 H SER 110 20.201 -11.623 -6.133 775 HA SER 110 HA SER 110 21.060 -11.228 -8.871 776 HB2 SER 110 1HB SER 110 21.973 -10.257 -6.366 777 HB3 SER 110 2HB SER 110 23.214 -11.372 -6.902 778 HG SER 110 HG SER 110 22.883 -10.122 -9.081 779 H VAL 111 H VAL 111 21.422 -13.081 -10.035 780 HA VAL 111 HA VAL 111 22.762 -15.278 -8.630 781 HB VAL 111 HB VAL 111 20.415 -15.830 -8.765 782 HG11 VAL 111 1HG1 VAL 111 20.547 -15.634 -11.781 783 HG12 VAL 111 2HG1 VAL 111 19.118 -15.826 -10.737 784 HG13 VAL 111 3HG1 VAL 111 19.999 -14.280 -10.763 785 HG21 VAL 111 1HG2 VAL 111 21.178 -17.907 -9.053 786 HG22 VAL 111 2HG2 VAL 111 20.934 -17.696 -10.804 787 HG23 VAL 111 3HG2 VAL 111 22.517 -17.332 -10.075 788 H ILE 112 H ILE 112 24.640 -15.821 -9.613 789 HA ILE 112 HA ILE 112 25.595 -14.490 -11.820 790 HB ILE 112 HB ILE 112 27.228 -16.446 -11.910 791 HG12 ILE 112 1HG1 ILE 112 26.326 -17.317 -9.234 792 HG13 ILE 112 2HG1 ILE 112 25.285 -17.811 -10.554 793 HG21 ILE 112 1HG2 ILE 112 28.435 -15.633 -10.035 794 HG22 ILE 112 2HG2 ILE 112 27.509 -14.259 -10.685 795 HG23 ILE 112 3HG2 ILE 112 26.947 -15.097 -9.218 796 HD11 ILE 112 1HD1 ILE 112 28.103 -18.608 -9.953 797 HD12 ILE 112 2HD1 ILE 112 26.785 -19.552 -10.689 798 HD13 ILE 112 3HD1 ILE 112 27.702 -18.386 -11.674 799 HA PRO 113 HA PRO 113 23.568 -16.426 -15.117 800 HB2 PRO 113 1HB PRO 113 25.055 -15.444 -17.190 801 HB3 PRO 113 2HB PRO 113 23.763 -14.540 -16.424 802 HG2 PRO 113 1HG PRO 113 26.685 -14.190 -16.149 803 HG3 PRO 113 2HG PRO 113 25.403 -13.065 -15.749 804 HD2 PRO 113 1HD PRO 113 26.921 -14.660 -13.911 805 HD3 PRO 113 2HD PRO 113 25.562 -13.623 -13.524 806 H SER 114 H SER 114 23.892 -17.858 -17.075 807 HA SER 114 HA SER 114 26.232 -19.496 -16.479 808 HB2 SER 114 1HB SER 114 23.457 -20.207 -16.382 809 HB3 SER 114 2HB SER 114 24.142 -21.032 -17.768 810 HG SER 114 HG SER 114 25.869 -21.813 -16.309 811 H SER 115 H SER 115 27.348 -20.405 -18.309 812 HA SER 115 HA SER 115 26.654 -19.043 -20.778 813 HB2 SER 115 1HB SER 115 28.975 -18.804 -19.733 814 HB3 SER 115 2HB SER 115 29.243 -20.498 -20.093 815 HG SER 115 HG SER 115 29.177 -20.090 -22.298 816 H GLY 116 H GLY 116 26.156 -20.200 -22.667 817 HA2 GLY 116 1HA GLY 116 26.822 -22.787 -23.295 818 HA3 GLY 116 2HA GLY 116 25.357 -22.926 -22.343 819 H SER 117 H SER 117 26.106 -23.211 -25.374 820 HA SER 117 HA SER 117 24.963 -23.052 -27.223 821 HB2 SER 117 1HB SER 117 22.956 -22.572 -25.311 822 HB3 SER 117 2HB SER 117 22.782 -21.241 -26.438 823 HG SER 117 HG SER 117 22.032 -23.842 -26.753 824 H GLY 118 H GLY 118 24.465 -21.422 -28.998 825 HA2 GLY 118 1HA GLY 118 25.169 -18.660 -28.409 826 HA3 GLY 118 2HA GLY 118 26.309 -19.547 -29.402 827 HA PRO 119 HA PRO 119 22.190 -18.881 -31.712 828 HB2 PRO 119 1HB PRO 119 20.893 -16.551 -31.114 829 HB3 PRO 119 2HB PRO 119 20.427 -18.105 -30.451 830 HG2 PRO 119 1HG PRO 119 21.859 -15.880 -29.132 831 HG3 PRO 119 2HG PRO 119 21.021 -17.234 -28.399 832 HD2 PRO 119 1HD PRO 119 23.858 -16.920 -28.681 833 HD3 PRO 119 2HD PRO 119 23.016 -18.323 -28.055 834 H SER 120 H SER 120 22.305 -18.230 -33.800 835 HA SER 120 HA SER 120 23.498 -15.659 -34.232 836 HB2 SER 120 1HB SER 120 25.349 -16.424 -35.572 837 HB3 SER 120 2HB SER 120 25.433 -17.283 -34.047 838 HG SER 120 HG SER 120 25.690 -18.565 -36.123 839 H SER 121 H SER 121 22.675 -14.723 -36.119 840 HA SER 121 HA SER 121 21.361 -14.451 -37.825 841 HB2 SER 121 1HB SER 121 23.125 -16.468 -38.560 842 HB3 SER 121 2HB SER 121 21.575 -17.179 -38.965 843 HG SER 121 HG SER 121 21.175 -15.607 -40.462 844 H GLY 122 H GLY 122 19.405 -14.316 -36.552 845 HA2 GLY 122 1HA GLY 122 17.431 -15.025 -35.679 846 HA3 GLY 122 2HA GLY 122 17.223 -15.661 -37.299 Start of MODEL 10 1 H1 GLY 1 H GLY 1 2.412 -9.832 10.337 2 HA2 GLY 1 1HA GLY 1 3.888 -11.033 11.646 3 HA3 GLY 1 2HA GLY 1 5.173 -10.763 10.485 4 H SER 2 H SER 2 6.795 -9.736 11.602 5 HA SER 2 HA SER 2 6.284 -7.089 12.456 6 HB2 SER 2 1HB SER 2 7.161 -7.487 14.820 7 HB3 SER 2 2HB SER 2 5.533 -8.057 14.513 8 HG SER 2 HG SER 2 7.915 -9.706 14.419 9 H SER 3 H SER 3 8.412 -6.049 13.256 10 HA SER 3 HA SER 3 10.420 -6.707 11.479 11 HB2 SER 3 1HB SER 3 9.845 -4.599 13.215 12 HB3 SER 3 2HB SER 3 11.320 -5.258 13.894 13 HG SER 3 HG SER 3 11.733 -5.192 11.251 14 H GLY 4 H GLY 4 12.550 -7.647 11.823 15 HA2 GLY 4 1HA GLY 4 13.430 -8.683 14.281 16 HA3 GLY 4 2HA GLY 4 12.577 -9.950 13.422 17 H SER 5 H SER 5 15.555 -9.414 14.074 18 HA SER 5 HA SER 5 16.679 -9.041 11.477 19 HB2 SER 5 1HB SER 5 17.621 -8.441 13.911 20 HB3 SER 5 2HB SER 5 18.271 -10.067 13.824 21 HG SER 5 HG SER 5 18.839 -7.807 12.140 22 H SER 6 H SER 6 16.733 -10.686 9.993 23 HA SER 6 HA SER 6 17.430 -13.311 10.988 24 HB2 SER 6 1HB SER 6 15.632 -14.437 9.873 25 HB3 SER 6 2HB SER 6 14.896 -13.134 10.786 26 HG SER 6 HG SER 6 14.487 -11.986 8.934 27 H GLY 7 H GLY 7 18.881 -14.355 9.614 28 HA2 GLY 7 1HA GLY 7 20.198 -12.951 7.618 29 HA3 GLY 7 2HA GLY 7 20.249 -14.686 7.863 30 H ALA 8 H ALA 8 20.426 -13.740 5.273 31 HA ALA 8 HA ALA 8 17.724 -14.053 4.182 32 HB1 ALA 8 1HB ALA 8 19.352 -13.364 2.079 33 HB2 ALA 8 2HB ALA 8 18.450 -12.203 3.082 34 HB3 ALA 8 3HB ALA 8 20.160 -12.545 3.436 35 H GLY 9 H GLY 9 17.184 -16.085 3.579 36 HA2 GLY 9 1HA GLY 9 19.374 -17.877 2.723 37 HA3 GLY 9 2HA GLY 9 17.894 -18.387 3.511 38 H GLN 10 H GLN 10 16.851 -19.639 1.991 39 HA GLN 10 HA GLN 10 17.005 -19.107 -0.739 40 HB2 GLN 10 1HB GLN 10 15.956 -21.142 0.964 41 HB3 GLN 10 2HB GLN 10 14.626 -20.629 -0.055 42 HG2 GLN 10 1HG GLN 10 17.385 -21.322 -1.158 43 HG3 GLN 10 2HG GLN 10 16.098 -22.502 -1.006 44 HE21 GLN 10 1HE2 GLN 10 14.766 -22.753 -2.632 45 HE22 GLN 10 2HE2 GLN 10 14.495 -21.653 -3.942 46 H VAL 11 H VAL 11 14.203 -19.456 -1.528 47 HA VAL 11 HA VAL 11 12.557 -18.142 -2.218 48 HB VAL 11 HB VAL 11 11.890 -18.743 0.105 49 HG11 VAL 11 1HG1 VAL 11 11.873 -16.684 1.701 50 HG12 VAL 11 2HG1 VAL 11 13.355 -17.658 1.554 51 HG13 VAL 11 3HG1 VAL 11 13.222 -16.106 0.694 52 HG21 VAL 11 1HG2 VAL 11 10.780 -16.008 -0.415 53 HG22 VAL 11 2HG2 VAL 11 10.569 -17.269 -1.653 54 HG23 VAL 11 3HG2 VAL 11 9.941 -17.523 -0.007 55 H VAL 12 H VAL 12 11.683 -15.713 -2.232 56 HA VAL 12 HA VAL 12 14.058 -14.104 -2.760 57 HB VAL 12 HB VAL 12 12.311 -14.529 -4.503 58 HG11 VAL 12 1HG1 VAL 12 10.291 -12.871 -4.224 59 HG12 VAL 12 2HG1 VAL 12 10.232 -14.490 -3.486 60 HG13 VAL 12 3HG1 VAL 12 10.625 -13.070 -2.487 61 HG21 VAL 12 1HG2 VAL 12 12.551 -12.419 -5.467 62 HG22 VAL 12 2HG2 VAL 12 12.430 -11.577 -3.904 63 HG23 VAL 12 3HG2 VAL 12 13.905 -12.484 -4.314 64 H HIS 13 H HIS 13 13.901 -11.716 -2.192 65 HA HIS 13 HA HIS 13 12.773 -11.537 0.496 66 HB2 HIS 13 1HB HIS 13 14.394 -9.780 0.894 67 HB3 HIS 13 2HB HIS 13 15.190 -11.235 0.329 68 HD1 HIS 13 1HD HIS 13 15.751 -11.203 -2.399 69 HD2 HIS 13 2HD HIS 13 15.099 -7.525 -0.490 70 HE1 HIS 13 1HE HIS 13 16.752 -9.419 -3.924 71 H THR 14 H THR 14 11.999 -9.242 1.114 72 HA THR 14 HA THR 14 10.734 -7.939 -1.195 73 HB THR 14 HB THR 14 8.742 -7.725 0.582 74 HG1 THR 14 1HG THR 14 10.162 -10.215 1.209 75 HG21 THR 14 1HG2 THR 14 9.376 -10.382 -0.808 76 HG22 THR 14 2HG2 THR 14 7.777 -9.886 -0.202 77 HG23 THR 14 3HG2 THR 14 8.525 -9.012 -1.560 78 H GLU 15 H GLU 15 10.623 -5.723 -1.128 79 HA GLU 15 HA GLU 15 11.963 -4.577 1.194 80 HB2 GLU 15 1HB GLU 15 12.045 -3.960 -1.746 81 HB3 GLU 15 2HB GLU 15 12.210 -2.611 -0.640 82 HG2 GLU 15 1HG GLU 15 13.996 -4.095 0.581 83 HG3 GLU 15 2HG GLU 15 13.985 -5.068 -0.876 84 H THR 16 H THR 16 11.223 -2.373 1.878 85 HA THR 16 HA THR 16 8.365 -2.002 1.261 86 HB THR 16 HB THR 16 8.569 -0.940 3.724 87 HG1 THR 16 1HG THR 16 10.313 -2.004 4.825 88 HG21 THR 16 1HG2 THR 16 8.344 -3.846 2.891 89 HG22 THR 16 2HG2 THR 16 8.472 -3.458 4.624 90 HG23 THR 16 3HG2 THR 16 7.124 -2.805 3.663 91 H THR 17 H THR 17 7.575 0.097 0.971 92 HA THR 17 HA THR 17 9.697 2.120 0.665 93 HB THR 17 HB THR 17 8.885 1.293 -1.528 94 HG1 THR 17 1HG THR 17 7.591 3.799 -0.720 95 HG21 THR 17 1HG2 THR 17 6.659 0.476 -1.181 96 HG22 THR 17 2HG2 THR 17 6.174 1.940 -0.293 97 HG23 THR 17 3HG2 THR 17 6.417 2.007 -2.055 98 H GLU 18 H GLU 18 9.093 4.340 1.052 99 HA GLU 18 HA GLU 18 6.814 4.458 2.872 100 HB2 GLU 18 1HB GLU 18 8.675 4.862 4.246 101 HB3 GLU 18 2HB GLU 18 9.563 5.697 2.988 102 HG2 GLU 18 1HG GLU 18 8.097 7.655 3.158 103 HG3 GLU 18 2HG GLU 18 7.018 6.812 4.252 104 H VAL 19 H VAL 19 5.116 5.545 1.984 105 HA VAL 19 HA VAL 19 5.735 7.582 -0.024 106 HB VAL 19 HB VAL 19 3.068 6.315 0.596 107 HG11 VAL 19 1HG1 VAL 19 3.361 8.502 -0.788 108 HG12 VAL 19 2HG1 VAL 19 3.968 7.416 -2.060 109 HG13 VAL 19 3HG1 VAL 19 2.319 7.206 -1.422 110 HG21 VAL 19 1HG2 VAL 19 4.176 5.238 -1.800 111 HG22 VAL 19 2HG2 VAL 19 5.379 5.036 -0.505 112 HG23 VAL 19 3HG2 VAL 19 3.734 4.387 -0.300 113 H VAL 20 H VAL 20 5.462 9.713 0.429 114 HA VAL 20 HA VAL 20 4.013 10.326 2.912 115 HB VAL 20 HB VAL 20 6.420 11.594 1.608 116 HG11 VAL 20 1HG1 VAL 20 4.709 13.298 2.394 117 HG12 VAL 20 2HG1 VAL 20 4.978 12.680 4.042 118 HG13 VAL 20 3HG1 VAL 20 6.323 13.416 3.136 119 HG21 VAL 20 1HG2 VAL 20 5.998 9.743 3.798 120 HG22 VAL 20 2HG2 VAL 20 7.517 10.277 3.040 121 HG23 VAL 20 3HG2 VAL 20 6.805 11.223 4.369 122 H LEU 21 H LEU 21 1.996 11.023 2.408 123 HA LEU 21 HA LEU 21 1.750 12.710 0.019 124 HB2 LEU 21 1HB LEU 21 -0.380 11.108 1.442 125 HB3 LEU 21 2HB LEU 21 -0.583 12.043 -0.027 126 HG LEU 21 HG LEU 21 1.366 9.742 0.127 127 HD11 LEU 21 1HD1 LEU 21 -0.861 8.798 -1.238 128 HD12 LEU 21 2HD1 LEU 21 -0.336 8.333 0.398 129 HD13 LEU 21 3HD1 LEU 21 -1.543 9.623 0.184 130 HD21 LEU 21 1HD2 LEU 21 0.942 9.690 -2.339 131 HD22 LEU 21 2HD2 LEU 21 0.002 11.190 -2.154 132 HD23 LEU 21 3HD2 LEU 21 1.736 11.171 -1.752 133 H THR 22 H THR 22 0.712 14.728 0.161 134 HA THR 22 HA THR 22 0.439 15.697 2.925 135 HB THR 22 HB THR 22 0.802 17.344 0.380 136 HG1 THR 22 1HG THR 22 3.024 16.925 0.677 137 HG21 THR 22 1HG2 THR 22 0.243 18.603 2.469 138 HG22 THR 22 2HG2 THR 22 1.571 17.774 3.316 139 HG23 THR 22 3HG2 THR 22 1.930 18.897 1.983 140 H ALA 23 H ALA 23 -1.596 15.613 3.649 141 HA ALA 23 HA ALA 23 -3.855 15.276 2.223 142 HB1 ALA 23 1HB ALA 23 -5.026 16.083 4.168 143 HB2 ALA 23 2HB ALA 23 -3.534 15.297 4.737 144 HB3 ALA 23 3HB ALA 23 -3.634 17.073 4.666 145 H ASP 24 H ASP 24 -4.137 16.344 0.273 146 HA ASP 24 HA ASP 24 -3.452 18.885 -0.293 147 HB2 ASP 24 1HB ASP 24 -5.057 16.826 -1.455 148 HB3 ASP 24 2HB ASP 24 -6.036 18.279 -1.505 149 HA PRO 25 HA PRO 25 -6.508 21.434 1.562 150 HB2 PRO 25 1HB PRO 25 -7.176 23.283 -0.337 151 HB3 PRO 25 2HB PRO 25 -5.700 23.366 0.605 152 HG2 PRO 25 1HG PRO 25 -6.054 22.565 -2.218 153 HG3 PRO 25 2HG PRO 25 -4.589 23.060 -1.393 154 HD2 PRO 25 1HD PRO 25 -5.344 20.383 -2.092 155 HD3 PRO 25 2HD PRO 25 -3.938 20.867 -1.166 156 H VAL 26 H VAL 26 -7.410 19.571 -1.082 157 HA VAL 26 HA VAL 26 -10.195 19.833 -0.205 158 HB VAL 26 HB VAL 26 -9.054 19.948 -2.983 159 HG11 VAL 26 1HG1 VAL 26 -10.730 18.104 -2.913 160 HG12 VAL 26 2HG1 VAL 26 -11.938 19.268 -2.319 161 HG13 VAL 26 3HG1 VAL 26 -11.227 19.472 -3.938 162 HG21 VAL 26 1HG2 VAL 26 -9.572 22.038 -1.686 163 HG22 VAL 26 2HG2 VAL 26 -10.456 21.883 -3.223 164 HG23 VAL 26 3HG2 VAL 26 -11.283 21.545 -1.684 165 H THR 27 H THR 27 -8.018 17.871 -2.365 166 HA THR 27 HA THR 27 -9.359 15.474 -1.345 167 HB THR 27 HB THR 27 -8.103 14.456 -3.347 168 HG1 THR 27 1HG THR 27 -7.032 16.033 -4.656 169 HG21 THR 27 1HG2 THR 27 -9.497 16.771 -4.583 170 HG22 THR 27 2HG2 THR 27 -9.831 15.031 -4.756 171 HG23 THR 27 3HG2 THR 27 -10.474 15.926 -3.358 172 H GLY 28 H GLY 28 -8.256 15.970 0.798 173 HA2 GLY 28 1HA GLY 28 -5.806 16.088 1.588 174 HA3 GLY 28 2HA GLY 28 -6.823 14.799 2.200 175 H PHE 29 H PHE 29 -6.707 12.641 1.210 176 HA PHE 29 HA PHE 29 -4.159 12.263 -0.202 177 HB2 PHE 29 1HB PHE 29 -5.722 10.243 1.495 178 HB3 PHE 29 2HB PHE 29 -4.036 10.143 1.031 179 HD1 PHE 29 2HD PHE 29 -2.728 12.467 1.817 180 HD2 PHE 29 1HD PHE 29 -6.037 10.628 3.735 181 HE1 PHE 29 2HE PHE 29 -2.067 13.540 3.987 182 HE2 PHE 29 1HE PHE 29 -5.376 11.701 5.905 183 HZ PHE 29 HZ PHE 29 -3.399 13.145 6.005 184 H GLY 30 H GLY 30 -7.644 11.648 -0.083 185 HA2 GLY 30 1HA GLY 30 -9.043 10.552 -1.468 186 HA3 GLY 30 2HA GLY 30 -7.988 11.135 -2.740 187 H ILE 31 H ILE 31 -7.949 8.567 -0.156 188 HA ILE 31 HA ILE 31 -7.154 6.679 -2.251 189 HB ILE 31 HB ILE 31 -5.933 6.786 0.507 190 HG12 ILE 31 1HG1 ILE 31 -4.963 7.892 -2.129 191 HG13 ILE 31 2HG1 ILE 31 -5.102 8.710 -0.585 192 HG21 ILE 31 1HG2 ILE 31 -6.116 4.548 -0.602 193 HG22 ILE 31 2HG2 ILE 31 -5.093 5.178 -1.916 194 HG23 ILE 31 3HG2 ILE 31 -4.451 5.077 -0.259 195 HD11 ILE 31 1HD1 ILE 31 -3.051 6.664 -1.465 196 HD12 ILE 31 2HD1 ILE 31 -2.795 8.254 -0.707 197 HD13 ILE 31 3HD1 ILE 31 -3.395 6.890 0.267 198 H GLN 32 H GLN 32 -7.973 4.555 -1.992 199 HA GLN 32 HA GLN 32 -9.877 4.322 0.204 200 HB2 GLN 32 1HB GLN 32 -10.276 3.979 -2.737 201 HB3 GLN 32 2HB GLN 32 -11.030 2.763 -1.725 202 HG2 GLN 32 1HG GLN 32 -11.352 5.672 -0.967 203 HG3 GLN 32 2HG GLN 32 -12.294 5.048 -2.307 204 HE21 GLN 32 1HE2 GLN 32 -13.694 3.255 -1.973 205 HE22 GLN 32 2HE2 GLN 32 -14.383 2.926 -0.418 206 H LEU 33 H LEU 33 -10.118 2.204 1.125 207 HA LEU 33 HA LEU 33 -8.046 0.320 0.232 208 HB2 LEU 33 1HB LEU 33 -9.059 0.722 3.049 209 HB3 LEU 33 2HB LEU 33 -7.790 -0.371 2.531 210 HG LEU 33 HG LEU 33 -7.339 2.468 1.833 211 HD11 LEU 33 1HD1 LEU 33 -6.501 2.850 4.253 212 HD12 LEU 33 2HD1 LEU 33 -8.232 3.055 3.894 213 HD13 LEU 33 3HD1 LEU 33 -7.657 1.568 4.686 214 HD21 LEU 33 1HD2 LEU 33 -5.423 0.779 3.380 215 HD22 LEU 33 2HD2 LEU 33 -5.797 0.316 1.703 216 HD23 LEU 33 3HD2 LEU 33 -5.132 1.929 2.054 217 H GLN 34 H GLN 34 -8.587 -2.014 0.793 218 HA GLN 34 HA GLN 34 -11.476 -2.374 0.607 219 HB2 GLN 34 1HB GLN 34 -11.041 -4.327 -0.889 220 HB3 GLN 34 2HB GLN 34 -10.507 -2.813 -1.590 221 HG2 GLN 34 1HG GLN 34 -8.339 -3.501 -1.661 222 HG3 GLN 34 2HG GLN 34 -8.370 -4.008 0.017 223 HE21 GLN 34 1HE2 GLN 34 -8.447 -4.951 -3.247 224 HE22 GLN 34 2HE2 GLN 34 -8.657 -6.659 -3.051 225 H GLY 35 H GLY 35 -12.369 -3.858 2.027 226 HA2 GLY 35 1HA GLY 35 -10.841 -5.994 3.159 227 HA3 GLY 35 2HA GLY 35 -11.044 -4.669 4.289 228 H SER 36 H SER 36 -12.568 -5.426 5.734 229 HA SER 36 HA SER 36 -15.148 -6.049 4.552 230 HB2 SER 36 1HB SER 36 -14.506 -8.235 5.085 231 HB3 SER 36 2HB SER 36 -13.533 -7.735 6.453 232 HG SER 36 HG SER 36 -16.430 -7.681 6.348 233 H VAL 37 H VAL 37 -16.976 -5.454 5.908 234 HA VAL 37 HA VAL 37 -16.196 -3.591 8.037 235 HB VAL 37 HB VAL 37 -18.676 -2.864 7.579 236 HG11 VAL 37 1HG1 VAL 37 -17.768 -1.377 5.672 237 HG12 VAL 37 2HG1 VAL 37 -16.975 -1.281 7.262 238 HG13 VAL 37 3HG1 VAL 37 -16.221 -2.213 5.946 239 HG21 VAL 37 1HG2 VAL 37 -18.993 -4.821 5.972 240 HG22 VAL 37 2HG2 VAL 37 -19.500 -3.219 5.385 241 HG23 VAL 37 3HG2 VAL 37 -17.961 -3.923 4.834 242 H PHE 38 H PHE 38 -17.774 -6.614 7.271 243 HA PHE 38 HA PHE 38 -18.887 -6.661 9.988 244 HB2 PHE 38 1HB PHE 38 -20.215 -8.641 8.765 245 HB3 PHE 38 2HB PHE 38 -20.714 -6.983 8.491 246 HD1 PHE 38 1HD PHE 38 -17.880 -8.951 7.064 247 HD2 PHE 38 2HD PHE 38 -21.486 -6.842 6.319 248 HE1 PHE 38 1HE PHE 38 -17.550 -9.259 4.595 249 HE2 PHE 38 2HE PHE 38 -21.156 -7.150 3.850 250 HZ PHE 38 HZ PHE 38 -19.192 -8.355 3.017 251 H ALA 39 H ALA 39 -16.068 -7.287 8.972 252 HA ALA 39 HA ALA 39 -15.676 -10.028 8.831 253 HB1 ALA 39 1HB ALA 39 -13.459 -8.837 10.158 254 HB2 ALA 39 2HB ALA 39 -13.634 -9.189 8.422 255 HB3 ALA 39 3HB ALA 39 -14.125 -7.603 9.062 256 H THR 40 H THR 40 -14.007 -10.918 10.794 257 HA THR 40 HA THR 40 -15.842 -11.092 13.061 258 HB THR 40 HB THR 40 -13.473 -12.736 12.045 259 HG1 THR 40 1HG THR 40 -15.239 -14.134 11.591 260 HG21 THR 40 1HG2 THR 40 -13.264 -13.200 14.346 261 HG22 THR 40 2HG2 THR 40 -14.966 -12.800 14.679 262 HG23 THR 40 3HG2 THR 40 -14.550 -14.346 13.899 263 H GLU 41 H GLU 41 -12.228 -11.108 12.827 264 HA GLU 41 HA GLU 41 -12.303 -9.286 15.103 265 HB2 GLU 41 1HB GLU 41 -10.704 -11.698 14.491 266 HB3 GLU 41 2HB GLU 41 -9.729 -10.347 15.033 267 HG2 GLU 41 1HG GLU 41 -10.867 -10.190 17.119 268 HG3 GLU 41 2HG GLU 41 -12.261 -11.079 16.536 269 H THR 42 H THR 42 -10.206 -10.219 12.273 270 HA THR 42 HA THR 42 -9.608 -7.350 11.962 271 HB THR 42 HB THR 42 -7.341 -7.966 11.412 272 HG1 THR 42 1HG THR 42 -8.388 -10.705 11.543 273 HG21 THR 42 1HG2 THR 42 -6.542 -9.040 13.361 274 HG22 THR 42 2HG2 THR 42 -8.128 -8.451 13.916 275 HG23 THR 42 3HG2 THR 42 -7.931 -10.152 13.431 276 H LEU 43 H LEU 43 -8.047 -8.642 9.483 277 HA LEU 43 HA LEU 43 -10.446 -8.801 7.798 278 HB2 LEU 43 1HB LEU 43 -9.625 -6.620 7.470 279 HB3 LEU 43 2HB LEU 43 -7.957 -7.154 7.424 280 HG LEU 43 HG LEU 43 -8.299 -8.212 5.261 281 HD11 LEU 43 1HD1 LEU 43 -10.801 -8.691 5.839 282 HD12 LEU 43 2HD1 LEU 43 -11.084 -7.116 5.059 283 HD13 LEU 43 3HD1 LEU 43 -10.306 -8.432 4.148 284 HD21 LEU 43 1HD2 LEU 43 -9.117 -5.331 5.558 285 HD22 LEU 43 2HD2 LEU 43 -7.570 -6.018 5.008 286 HD23 LEU 43 3HD2 LEU 43 -9.003 -6.097 3.955 287 H SER 44 H SER 44 -8.106 -10.573 9.154 288 HA SER 44 HA SER 44 -6.787 -12.230 8.555 289 HB2 SER 44 1HB SER 44 -9.500 -12.770 7.912 290 HB3 SER 44 2HB SER 44 -8.570 -13.453 6.593 291 HG SER 44 HG SER 44 -7.770 -14.975 7.892 292 H SER 45 H SER 45 -6.425 -9.807 6.881 293 HA SER 45 HA SER 45 -4.720 -10.863 5.001 294 HB2 SER 45 1HB SER 45 -5.815 -10.517 2.892 295 HB3 SER 45 2HB SER 45 -6.910 -11.479 3.865 296 HG SER 45 HG SER 45 -8.343 -9.958 3.395 297 HA PRO 46 HA PRO 46 -3.588 -6.664 5.160 298 HB2 PRO 46 1HB PRO 46 -1.912 -6.435 3.014 299 HB3 PRO 46 2HB PRO 46 -1.420 -7.133 4.544 300 HG2 PRO 46 1HG PRO 46 -2.039 -8.499 1.996 301 HG3 PRO 46 2HG PRO 46 -1.155 -9.108 3.382 302 HD2 PRO 46 1HD PRO 46 -3.857 -9.742 2.657 303 HD3 PRO 46 2HD PRO 46 -3.011 -10.258 4.102 304 HA PRO 47 HA PRO 47 -6.199 -4.366 2.723 305 HB2 PRO 47 1HB PRO 47 -5.442 -1.828 3.401 306 HB3 PRO 47 2HB PRO 47 -6.527 -2.798 4.377 307 HG2 PRO 47 1HG PRO 47 -3.682 -2.151 4.855 308 HG3 PRO 47 2HG PRO 47 -4.880 -2.740 5.991 309 HD2 PRO 47 1HD PRO 47 -2.786 -4.266 4.761 310 HD3 PRO 47 2HD PRO 47 -4.053 -4.877 5.806 311 H LEU 48 H LEU 48 -6.444 -3.226 0.767 312 HA LEU 48 HA LEU 48 -3.880 -2.552 -0.462 313 HB2 LEU 48 1HB LEU 48 -5.978 -4.200 -1.868 314 HB3 LEU 48 2HB LEU 48 -4.398 -3.737 -2.470 315 HG LEU 48 HG LEU 48 -4.722 -5.480 -0.024 316 HD11 LEU 48 1HD1 LEU 48 -5.865 -6.765 -1.599 317 HD12 LEU 48 2HD1 LEU 48 -4.795 -6.265 -2.931 318 HD13 LEU 48 3HD1 LEU 48 -4.196 -7.380 -1.679 319 HD21 LEU 48 1HD2 LEU 48 -2.536 -4.362 -0.422 320 HD22 LEU 48 2HD2 LEU 48 -2.451 -6.139 -0.454 321 HD23 LEU 48 3HD2 LEU 48 -2.422 -5.220 -1.978 322 H ILE 49 H ILE 49 -3.945 -0.697 -1.694 323 HA ILE 49 HA ILE 49 -6.030 1.070 -1.314 324 HB ILE 49 HB ILE 49 -3.759 0.930 -3.275 325 HG12 ILE 49 1HG1 ILE 49 -4.333 2.580 -0.801 326 HG13 ILE 49 2HG1 ILE 49 -3.117 1.333 -0.988 327 HG21 ILE 49 1HG2 ILE 49 -4.739 2.411 -4.607 328 HG22 ILE 49 2HG2 ILE 49 -6.145 2.539 -3.523 329 HG23 ILE 49 3HG2 ILE 49 -4.718 3.568 -3.255 330 HD11 ILE 49 1HD1 ILE 49 -1.705 3.038 -1.525 331 HD12 ILE 49 2HD1 ILE 49 -2.524 3.037 -3.106 332 HD13 ILE 49 3HD1 ILE 49 -3.049 4.163 -1.832 333 H SER 50 H SER 50 -8.102 0.409 -1.798 334 HA SER 50 HA SER 50 -8.763 -1.143 -3.963 335 HB2 SER 50 1HB SER 50 -10.328 -0.910 -2.160 336 HB3 SER 50 2HB SER 50 -10.345 0.838 -2.289 337 HG SER 50 HG SER 50 -11.784 0.753 -3.899 338 H TYR 51 H TYR 51 -9.129 2.458 -3.540 339 HA TYR 51 HA TYR 51 -8.735 2.723 -6.430 340 HB2 TYR 51 1HB TYR 51 -11.204 2.744 -5.791 341 HB3 TYR 51 2HB TYR 51 -10.877 4.006 -4.619 342 HD1 TYR 51 2HD TYR 51 -10.667 3.281 -8.284 343 HD2 TYR 51 1HD TYR 51 -11.046 6.263 -5.239 344 HE1 TYR 51 2HE TYR 51 -11.097 5.050 -10.059 345 HE2 TYR 51 1HE TYR 51 -11.474 8.021 -7.025 346 HH TYR 51 HH TYR 51 -10.891 7.425 -10.318 347 H ILE 52 H ILE 52 -8.140 4.973 -7.070 348 HA ILE 52 HA ILE 52 -7.001 6.466 -4.816 349 HB ILE 52 HB ILE 52 -5.645 5.861 -7.446 350 HG12 ILE 52 1HG1 ILE 52 -4.840 4.982 -4.662 351 HG13 ILE 52 2HG1 ILE 52 -5.765 3.979 -5.762 352 HG21 ILE 52 1HG2 ILE 52 -4.535 7.382 -5.078 353 HG22 ILE 52 2HG2 ILE 52 -3.792 7.144 -6.678 354 HG23 ILE 52 3HG2 ILE 52 -5.244 8.160 -6.513 355 HD11 ILE 52 1HD1 ILE 52 -3.840 3.324 -6.749 356 HD12 ILE 52 2HD1 ILE 52 -3.556 5.004 -7.267 357 HD13 ILE 52 3HD1 ILE 52 -2.912 4.432 -5.710 358 H GLU 53 H GLU 53 -8.169 8.308 -4.699 359 HA GLU 53 HA GLU 53 -9.779 9.274 -6.646 360 HB2 GLU 53 1HB GLU 53 -9.012 10.038 -4.062 361 HB3 GLU 53 2HB GLU 53 -8.565 11.423 -5.037 362 HG2 GLU 53 1HG GLU 53 -11.076 10.766 -6.062 363 HG3 GLU 53 2HG GLU 53 -11.259 10.384 -4.362 364 H ALA 54 H ALA 54 -9.629 11.057 -8.179 365 HA ALA 54 HA ALA 54 -6.997 11.186 -9.376 366 HB1 ALA 54 1HB ALA 54 -8.513 12.637 -11.028 367 HB2 ALA 54 2HB ALA 54 -8.577 10.858 -11.028 368 HB3 ALA 54 3HB ALA 54 -9.826 11.794 -10.172 369 H ASP 55 H ASP 55 -6.095 13.323 -10.076 370 HA ASP 55 HA ASP 55 -5.323 15.292 -9.600 371 HB2 ASP 55 1HB ASP 55 -8.007 15.678 -9.837 372 HB3 ASP 55 2HB ASP 55 -7.810 16.204 -8.177 373 H SER 56 H SER 56 -5.557 13.026 -7.459 374 HA SER 56 HA SER 56 -5.436 14.656 -5.065 375 HB2 SER 56 1HB SER 56 -6.225 12.839 -3.949 376 HB3 SER 56 2HB SER 56 -6.627 12.214 -5.536 377 HG SER 56 HG SER 56 -5.198 10.659 -5.242 378 HA PRO 57 HA PRO 57 -1.135 14.097 -4.676 379 HB2 PRO 57 1HB PRO 57 -0.717 13.707 -2.003 380 HB3 PRO 57 2HB PRO 57 -1.024 15.283 -2.705 381 HG2 PRO 57 1HG PRO 57 -2.846 13.569 -1.130 382 HG3 PRO 57 2HG PRO 57 -2.971 15.284 -1.470 383 HD2 PRO 57 1HD PRO 57 -4.467 13.175 -2.711 384 HD3 PRO 57 2HD PRO 57 -4.508 14.876 -3.131 385 H ALA 58 H ALA 58 -3.108 11.521 -3.587 386 HA ALA 58 HA ALA 58 -0.954 9.695 -3.221 387 HB1 ALA 58 1HB ALA 58 -3.881 9.077 -3.759 388 HB2 ALA 58 2HB ALA 58 -2.694 8.084 -2.880 389 HB3 ALA 58 3HB ALA 58 -3.276 9.610 -2.172 390 H GLU 59 H GLU 59 -2.873 10.896 -5.939 391 HA GLU 59 HA GLU 59 -1.877 8.740 -7.593 392 HB2 GLU 59 1HB GLU 59 -4.310 9.497 -7.669 393 HB3 GLU 59 2HB GLU 59 -3.761 11.008 -8.366 394 HG2 GLU 59 1HG GLU 59 -4.244 9.761 -10.293 395 HG3 GLU 59 2HG GLU 59 -2.523 9.477 -10.123 396 H ARG 60 H ARG 60 -1.013 11.879 -6.564 397 HA ARG 60 HA ARG 60 -0.051 12.953 -8.924 398 HB2 ARG 60 1HB ARG 60 0.202 13.467 -6.018 399 HB3 ARG 60 2HB ARG 60 1.641 13.929 -6.905 400 HG2 ARG 60 1HG ARG 60 -0.405 14.899 -8.540 401 HG3 ARG 60 2HG ARG 60 -1.061 15.147 -6.934 402 HD2 ARG 60 1HD ARG 60 1.548 16.020 -6.588 403 HD3 ARG 60 2HD ARG 60 1.255 16.475 -8.255 404 HE ARG 60 HE ARG 60 0.142 17.760 -5.946 405 HH11 ARG 60 2HH2 ARG 60 -0.783 16.726 -9.180 406 HH12 ARG 60 1HH2 ARG 60 -2.010 17.936 -9.354 407 HH21 ARG 60 2HH1 ARG 60 -1.477 19.356 -6.175 408 HH22 ARG 60 1HH1 ARG 60 -2.407 19.442 -7.633 409 H CYS 61 H CYS 61 1.759 11.346 -6.192 410 HA CYS 61 HA CYS 61 4.185 11.239 -7.524 411 HB2 CYS 61 1HB CYS 61 3.203 9.323 -5.386 412 HB3 CYS 61 2HB CYS 61 4.870 9.654 -5.812 413 HG CYS 61 HG CYS 61 3.638 10.814 -3.510 414 H GLY 62 H GLY 62 1.399 8.946 -7.307 415 HA2 GLY 62 1HA GLY 62 0.722 7.481 -8.941 416 HA3 GLY 62 2HA GLY 62 2.228 7.715 -9.806 417 H VAL 63 H VAL 63 3.729 7.331 -7.098 418 HA VAL 63 HA VAL 63 4.519 4.746 -7.449 419 HB VAL 63 HB VAL 63 5.362 4.909 -5.123 420 HG11 VAL 63 1HG1 VAL 63 5.846 6.869 -7.279 421 HG12 VAL 63 2HG1 VAL 63 6.432 7.364 -5.673 422 HG13 VAL 63 3HG1 VAL 63 6.986 5.832 -6.389 423 HG21 VAL 63 1HG2 VAL 63 3.560 7.323 -5.093 424 HG22 VAL 63 2HG2 VAL 63 3.766 6.046 -3.869 425 HG23 VAL 63 3HG2 VAL 63 5.029 7.280 -4.088 426 H LEU 64 H LEU 64 1.619 6.004 -5.851 427 HA LEU 64 HA LEU 64 1.054 3.435 -4.646 428 HB2 LEU 64 1HB LEU 64 -0.567 5.984 -4.714 429 HB3 LEU 64 2HB LEU 64 -0.918 4.559 -3.756 430 HG LEU 64 HG LEU 64 1.610 6.199 -3.453 431 HD11 LEU 64 1HD1 LEU 64 -1.069 6.845 -2.648 432 HD12 LEU 64 2HD1 LEU 64 -0.070 6.544 -1.206 433 HD13 LEU 64 3HD1 LEU 64 0.438 7.760 -2.403 434 HD21 LEU 64 1HD2 LEU 64 1.979 4.997 -1.432 435 HD22 LEU 64 2HD2 LEU 64 0.381 4.218 -1.524 436 HD23 LEU 64 3HD2 LEU 64 1.646 3.798 -2.704 437 H GLN 65 H GLN 65 0.613 1.887 -6.172 438 HA GLN 65 HA GLN 65 -1.131 2.653 -8.345 439 HB2 GLN 65 1HB GLN 65 0.485 0.128 -7.800 440 HB3 GLN 65 2HB GLN 65 -0.573 0.312 -9.185 441 HG2 GLN 65 1HG GLN 65 0.878 2.636 -9.382 442 HG3 GLN 65 2HG GLN 65 2.071 1.596 -8.630 443 HE21 GLN 65 1HE2 GLN 65 -0.333 1.659 -11.245 444 HE22 GLN 65 2HE2 GLN 65 0.565 0.730 -12.398 445 H ILE 66 H ILE 66 -3.155 1.591 -8.776 446 HA ILE 66 HA ILE 66 -4.737 1.102 -6.596 447 HB ILE 66 HB ILE 66 -4.985 0.212 -9.466 448 HG12 ILE 66 1HG1 ILE 66 -4.920 2.716 -8.681 449 HG13 ILE 66 2HG1 ILE 66 -6.074 2.182 -9.886 450 HG21 ILE 66 1HG2 ILE 66 -7.543 0.293 -8.526 451 HG22 ILE 66 2HG2 ILE 66 -6.574 -1.187 -8.723 452 HG23 ILE 66 3HG2 ILE 66 -6.676 -0.395 -7.132 453 HD11 ILE 66 1HD1 ILE 66 -6.870 2.032 -6.978 454 HD12 ILE 66 2HD1 ILE 66 -6.875 3.614 -7.793 455 HD13 ILE 66 3HD1 ILE 66 -7.889 2.289 -8.415 456 H GLY 67 H GLY 67 -4.614 -0.430 -5.054 457 HA2 GLY 67 1HA GLY 67 -4.817 -2.647 -4.369 458 HA3 GLY 67 2HA GLY 67 -4.146 -3.198 -5.891 459 H ASP 68 H ASP 68 -2.705 -0.504 -4.038 460 HA ASP 68 HA ASP 68 -0.182 -1.467 -4.163 461 HB2 ASP 68 1HB ASP 68 -1.594 0.377 -2.214 462 HB3 ASP 68 2HB ASP 68 0.093 -0.018 -1.956 463 H ARG 69 H ARG 69 1.077 -1.726 -1.745 464 HA ARG 69 HA ARG 69 -0.364 -3.915 -0.475 465 HB2 ARG 69 1HB ARG 69 2.549 -3.579 -1.235 466 HB3 ARG 69 2HB ARG 69 2.162 -4.566 0.160 467 HG2 ARG 69 1HG ARG 69 2.168 -6.120 -1.632 468 HG3 ARG 69 2HG ARG 69 0.465 -5.796 -1.378 469 HD2 ARG 69 1HD ARG 69 0.621 -5.550 -3.706 470 HD3 ARG 69 2HD ARG 69 0.819 -3.888 -3.185 471 HE ARG 69 HE ARG 69 3.029 -5.704 -4.062 472 HH11 ARG 69 2HH2 ARG 69 1.879 -2.480 -3.244 473 HH12 ARG 69 1HH2 ARG 69 3.290 -1.683 -3.856 474 HH21 ARG 69 2HH1 ARG 69 4.891 -4.653 -4.868 475 HH22 ARG 69 1HH1 ARG 69 5.015 -2.927 -4.786 476 H VAL 70 H VAL 70 -1.035 -1.558 0.587 477 HA VAL 70 HA VAL 70 0.710 -0.307 2.324 478 HB VAL 70 HB VAL 70 -1.342 0.704 1.727 479 HG11 VAL 70 1HG1 VAL 70 -2.587 -1.847 2.728 480 HG12 VAL 70 2HG1 VAL 70 -3.531 -0.338 2.703 481 HG13 VAL 70 3HG1 VAL 70 -2.846 -0.984 1.193 482 HG21 VAL 70 1HG2 VAL 70 -0.424 0.823 4.203 483 HG22 VAL 70 2HG2 VAL 70 -1.964 1.596 3.758 484 HG23 VAL 70 3HG2 VAL 70 -1.966 0.017 4.579 485 H MET 71 H MET 71 2.050 -1.748 3.463 486 HA MET 71 HA MET 71 0.925 -3.906 4.890 487 HB2 MET 71 1HB MET 71 3.652 -2.557 5.272 488 HB3 MET 71 2HB MET 71 3.243 -4.206 5.703 489 HG2 MET 71 1HG MET 71 3.463 -3.030 2.897 490 HG3 MET 71 2HG MET 71 4.456 -4.291 3.601 491 HE1 MET 71 1HE MET 71 2.396 -7.440 3.485 492 HE2 MET 71 2HE MET 71 4.018 -6.730 3.305 493 HE3 MET 71 3HE MET 71 3.086 -6.454 4.796 494 H ALA 72 H ALA 72 1.766 -0.519 5.620 495 HA ALA 72 HA ALA 72 0.395 -0.799 8.161 496 HB1 ALA 72 1HB ALA 72 3.182 0.408 8.008 497 HB2 ALA 72 2HB ALA 72 2.198 0.116 9.463 498 HB3 ALA 72 3HB ALA 72 2.862 -1.258 8.547 499 H ILE 73 H ILE 73 0.460 1.618 9.205 500 HA ILE 73 HA ILE 73 0.287 3.578 7.061 501 HB ILE 73 HB ILE 73 -2.003 2.805 8.865 502 HG12 ILE 73 1HG1 ILE 73 -1.852 2.980 5.843 503 HG13 ILE 73 2HG1 ILE 73 -1.643 1.497 6.752 504 HG21 ILE 73 1HG2 ILE 73 -2.610 4.924 6.993 505 HG22 ILE 73 2HG2 ILE 73 -2.861 4.849 8.754 506 HG23 ILE 73 3HG2 ILE 73 -1.303 5.408 8.100 507 HD11 ILE 73 1HD1 ILE 73 -3.979 1.718 5.977 508 HD12 ILE 73 2HD1 ILE 73 -3.910 1.780 7.755 509 HD13 ILE 73 3HD1 ILE 73 -4.122 3.280 6.819 510 H ASN 74 H ASN 74 2.001 4.778 7.836 511 HA ASN 74 HA ASN 74 2.927 6.335 9.045 512 HB2 ASN 74 1HB ASN 74 0.224 6.417 10.027 513 HB3 ASN 74 2HB ASN 74 1.264 6.494 11.435 514 HD21 ASN 74 1HD2 ASN 74 -0.073 8.155 8.818 515 HD22 ASN 74 2HD2 ASN 74 0.783 9.655 8.947 516 H GLY 75 H GLY 75 2.619 3.189 9.717 517 HA2 GLY 75 1HA GLY 75 4.447 2.172 10.939 518 HA3 GLY 75 2HA GLY 75 4.177 3.328 12.228 519 H ILE 76 H ILE 76 1.091 2.897 11.387 520 HA ILE 76 HA ILE 76 0.599 1.062 13.499 521 HB ILE 76 HB ILE 76 -1.099 2.571 11.536 522 HG12 ILE 76 1HG1 ILE 76 0.008 3.651 13.567 523 HG13 ILE 76 2HG1 ILE 76 -1.715 3.897 13.362 524 HG21 ILE 76 1HG2 ILE 76 -2.737 1.083 11.721 525 HG22 ILE 76 2HG2 ILE 76 -1.817 0.120 12.902 526 HG23 ILE 76 3HG2 ILE 76 -2.821 1.482 13.454 527 HD11 ILE 76 1HD1 ILE 76 -1.263 1.454 14.878 528 HD12 ILE 76 2HD1 ILE 76 -0.391 2.812 15.629 529 HD13 ILE 76 3HD1 ILE 76 -2.147 2.922 15.359 530 HA PRO 77 HA PRO 77 0.726 -2.538 11.086 531 HB2 PRO 77 1HB PRO 77 -0.153 -4.318 12.965 532 HB3 PRO 77 2HB PRO 77 1.511 -3.778 12.861 533 HG2 PRO 77 1HG PRO 77 -0.571 -3.003 14.812 534 HG3 PRO 77 2HG PRO 77 1.168 -2.821 14.931 535 HD2 PRO 77 1HD PRO 77 -0.737 -0.762 14.329 536 HD3 PRO 77 2HD PRO 77 1.009 -0.606 14.335 537 H THR 78 H THR 78 -0.661 -2.291 9.395 538 HA THR 78 HA THR 78 -3.451 -2.210 9.849 539 HB THR 78 HB THR 78 -3.514 -2.309 7.370 540 HG1 THR 78 1HG THR 78 -1.954 -3.872 6.868 541 HG21 THR 78 1HG2 THR 78 -1.494 -0.610 8.778 542 HG22 THR 78 2HG2 THR 78 -1.241 -0.788 7.026 543 HG23 THR 78 3HG2 THR 78 -2.776 -0.130 7.641 544 H GLU 79 H GLU 79 -3.561 -4.065 11.394 545 HA GLU 79 HA GLU 79 -4.664 -6.238 10.041 546 HB2 GLU 79 1HB GLU 79 -2.289 -6.848 9.659 547 HB3 GLU 79 2HB GLU 79 -1.976 -6.774 11.381 548 HG2 GLU 79 1HG GLU 79 -4.241 -8.478 11.096 549 HG3 GLU 79 2HG GLU 79 -3.138 -8.950 9.818 550 H ASP 80 H ASP 80 -3.042 -5.073 13.053 551 HA ASP 80 HA ASP 80 -4.411 -6.706 14.794 552 HB2 ASP 80 1HB ASP 80 -2.478 -4.751 14.994 553 HB3 ASP 80 2HB ASP 80 -3.847 -3.912 15.695 554 H SER 81 H SER 81 -5.077 -3.360 13.546 555 HA SER 81 HA SER 81 -7.501 -3.184 15.017 556 HB2 SER 81 1HB SER 81 -6.639 -1.410 12.701 557 HB3 SER 81 2HB SER 81 -7.729 -0.999 14.011 558 HG SER 81 HG SER 81 -5.489 -1.726 15.238 559 H THR 82 H THR 82 -9.053 -1.840 12.853 560 HA THR 82 HA THR 82 -9.699 -4.208 11.220 561 HB THR 82 HB THR 82 -12.029 -3.726 11.582 562 HG1 THR 82 1HG THR 82 -10.951 -1.274 12.788 563 HG21 THR 82 1HG2 THR 82 -12.252 -4.063 13.867 564 HG22 THR 82 2HG2 THR 82 -10.489 -4.288 13.785 565 HG23 THR 82 3HG2 THR 82 -11.163 -2.713 14.267 566 H PHE 83 H PHE 83 -10.783 -3.710 9.135 567 HA PHE 83 HA PHE 83 -9.249 -2.116 7.570 568 HB2 PHE 83 1HB PHE 83 -10.752 -3.656 6.518 569 HB3 PHE 83 2HB PHE 83 -12.097 -3.178 7.535 570 HD1 PHE 83 2HD PHE 83 -13.151 -0.886 7.115 571 HD2 PHE 83 1HD PHE 83 -10.502 -2.747 4.372 572 HE1 PHE 83 2HE PHE 83 -14.017 0.589 5.278 573 HE2 PHE 83 1HE PHE 83 -11.368 -1.273 2.535 574 HZ PHE 83 HZ PHE 83 -13.115 0.378 3.010 575 H GLU 84 H GLU 84 -11.904 -1.162 9.709 576 HA GLU 84 HA GLU 84 -12.419 1.287 8.443 577 HB2 GLU 84 1HB GLU 84 -13.001 0.183 11.212 578 HB3 GLU 84 2HB GLU 84 -13.449 1.820 10.776 579 HG2 GLU 84 1HG GLU 84 -14.322 0.199 8.605 580 HG3 GLU 84 2HG GLU 84 -14.747 -0.696 10.052 581 H GLU 85 H GLU 85 -10.438 0.334 11.329 582 HA GLU 85 HA GLU 85 -9.643 2.728 12.193 583 HB2 GLU 85 1HB GLU 85 -8.805 0.063 12.516 584 HB3 GLU 85 2HB GLU 85 -7.349 0.899 12.017 585 HG2 GLU 85 1HG GLU 85 -8.916 2.420 14.017 586 HG3 GLU 85 2HG GLU 85 -8.399 0.853 14.608 587 H ALA 86 H ALA 86 -7.856 0.812 9.660 588 HA ALA 86 HA ALA 86 -5.912 2.533 9.005 589 HB1 ALA 86 1HB ALA 86 -6.842 1.639 6.523 590 HB2 ALA 86 2HB ALA 86 -5.703 0.789 7.593 591 HB3 ALA 86 3HB ALA 86 -7.442 0.423 7.675 592 H ASN 87 H ASN 87 -9.322 2.665 7.770 593 HA ASN 87 HA ASN 87 -8.989 4.828 6.144 594 HB2 ASN 87 1HB ASN 87 -11.088 3.238 6.754 595 HB3 ASN 87 2HB ASN 87 -11.523 4.588 7.783 596 HD21 ASN 87 1HD2 ASN 87 -11.274 3.368 4.588 597 HD22 ASN 87 2HD2 ASN 87 -11.929 4.720 3.725 598 H GLN 88 H GLN 88 -9.981 4.636 9.641 599 HA GLN 88 HA GLN 88 -10.367 7.324 10.032 600 HB2 GLN 88 1HB GLN 88 -10.118 4.919 11.654 601 HB3 GLN 88 2HB GLN 88 -9.320 6.259 12.455 602 HG2 GLN 88 1HG GLN 88 -11.664 6.231 13.140 603 HG3 GLN 88 2HG GLN 88 -11.390 7.653 12.153 604 HE21 GLN 88 1HE2 GLN 88 -11.944 4.197 11.474 605 HE22 GLN 88 2HE2 GLN 88 -13.277 4.399 10.385 606 H LEU 89 H LEU 89 -7.376 5.323 10.262 607 HA LEU 89 HA LEU 89 -5.668 7.075 11.428 608 HB2 LEU 89 1HB LEU 89 -5.062 5.287 9.069 609 HB3 LEU 89 2HB LEU 89 -3.896 5.944 10.200 610 HG LEU 89 HG LEU 89 -5.902 3.750 10.597 611 HD11 LEU 89 1HD1 LEU 89 -3.753 2.991 9.978 612 HD12 LEU 89 2HD1 LEU 89 -2.945 4.101 11.111 613 HD13 LEU 89 3HD1 LEU 89 -3.881 2.720 11.732 614 HD21 LEU 89 1HD2 LEU 89 -5.326 3.884 13.082 615 HD22 LEU 89 2HD2 LEU 89 -4.818 5.558 12.756 616 HD23 LEU 89 3HD2 LEU 89 -6.500 5.063 12.449 617 H LEU 90 H LEU 90 -6.525 6.917 7.905 618 HA LEU 90 HA LEU 90 -4.939 9.075 7.154 619 HB2 LEU 90 1HB LEU 90 -7.383 7.768 5.994 620 HB3 LEU 90 2HB LEU 90 -6.663 9.174 5.236 621 HG LEU 90 HG LEU 90 -5.471 6.427 5.605 622 HD11 LEU 90 1HD1 LEU 90 -6.164 8.164 3.238 623 HD12 LEU 90 2HD1 LEU 90 -5.060 6.774 3.107 624 HD13 LEU 90 3HD1 LEU 90 -6.742 6.528 3.635 625 HD21 LEU 90 1HD2 LEU 90 -4.032 9.015 5.019 626 HD22 LEU 90 2HD2 LEU 90 -3.657 7.781 6.245 627 HD23 LEU 90 3HD2 LEU 90 -3.394 7.430 4.520 628 H ARG 91 H ARG 91 -8.514 8.985 7.821 629 HA ARG 91 HA ARG 91 -9.122 11.525 7.512 630 HB2 ARG 91 1HB ARG 91 -9.992 9.451 9.512 631 HB3 ARG 91 2HB ARG 91 -10.532 11.092 9.809 632 HG2 ARG 91 1HG ARG 91 -10.856 10.401 6.981 633 HG3 ARG 91 2HG ARG 91 -11.661 9.222 7.997 634 HD2 ARG 91 1HD ARG 91 -13.166 10.785 8.873 635 HD3 ARG 91 2HD ARG 91 -12.051 12.125 8.699 636 HE ARG 91 HE ARG 91 -12.896 12.503 6.555 637 HH11 ARG 91 2HH2 ARG 91 -13.679 9.210 7.516 638 HH12 ARG 91 1HH2 ARG 91 -14.653 8.897 6.119 639 HH21 ARG 91 2HH1 ARG 91 -14.182 12.091 4.711 640 HH22 ARG 91 1HH1 ARG 91 -14.941 10.547 4.512 641 H ASP 92 H ASP 92 -7.340 10.118 10.306 642 HA ASP 92 HA ASP 92 -7.338 12.548 11.745 643 HB2 ASP 92 1HB ASP 92 -7.006 10.057 12.554 644 HB3 ASP 92 2HB ASP 92 -5.328 10.300 12.110 645 H SER 93 H SER 93 -5.048 10.691 9.641 646 HA SER 93 HA SER 93 -2.766 12.030 9.990 647 HB2 SER 93 1HB SER 93 -3.828 11.299 7.230 648 HB3 SER 93 2HB SER 93 -2.150 11.364 7.733 649 HG SER 93 HG SER 93 -3.130 9.677 9.450 650 H SER 94 H SER 94 -5.682 13.114 8.212 651 HA SER 94 HA SER 94 -4.702 15.162 6.771 652 HB2 SER 94 1HB SER 94 -7.155 14.267 7.159 653 HB3 SER 94 2HB SER 94 -7.246 15.527 8.374 654 HG SER 94 HG SER 94 -7.591 15.785 5.726 655 H ILE 95 H ILE 95 -4.954 14.871 10.280 656 HA ILE 95 HA ILE 95 -5.010 17.513 11.045 657 HB ILE 95 HB ILE 95 -3.892 15.002 12.230 658 HG12 ILE 95 1HG1 ILE 95 -5.974 16.810 13.427 659 HG13 ILE 95 2HG1 ILE 95 -6.402 15.759 12.092 660 HG21 ILE 95 1HG2 ILE 95 -3.648 16.508 14.361 661 HG22 ILE 95 2HG2 ILE 95 -2.320 16.384 13.183 662 HG23 ILE 95 3HG2 ILE 95 -3.392 17.804 13.168 663 HD11 ILE 95 1HD1 ILE 95 -6.168 15.060 14.846 664 HD12 ILE 95 2HD1 ILE 95 -6.509 13.974 13.477 665 HD13 ILE 95 3HD1 ILE 95 -4.830 14.245 14.002 666 H THR 96 H THR 96 -1.970 15.528 11.026 667 HA THR 96 HA THR 96 -0.340 17.832 10.923 668 HB THR 96 HB THR 96 0.308 15.614 11.904 669 HG1 THR 96 1HG THR 96 1.906 17.153 11.012 670 HG21 THR 96 1HG2 THR 96 -0.756 14.364 9.776 671 HG22 THR 96 2HG2 THR 96 0.867 14.631 9.097 672 HG23 THR 96 3HG2 THR 96 0.673 13.693 10.597 673 H SER 97 H SER 97 -2.266 16.338 8.529 674 HA SER 97 HA SER 97 -2.509 16.753 6.410 675 HB2 SER 97 1HB SER 97 -1.105 19.083 7.328 676 HB3 SER 97 2HB SER 97 -0.421 18.651 5.773 677 HG SER 97 HG SER 97 -2.145 19.570 4.912 678 H LYS 98 H LYS 98 -0.453 14.846 7.572 679 HA LYS 98 HA LYS 98 0.844 14.256 5.055 680 HB2 LYS 98 1HB LYS 98 2.269 15.653 7.027 681 HB3 LYS 98 2HB LYS 98 2.789 13.989 7.200 682 HG2 LYS 98 1HG LYS 98 3.652 13.877 5.014 683 HG3 LYS 98 2HG LYS 98 2.586 15.131 4.412 684 HD2 LYS 98 1HD LYS 98 3.923 16.694 6.096 685 HD3 LYS 98 2HD LYS 98 5.133 15.428 6.026 686 HE2 LYS 98 1HE LYS 98 5.447 15.698 3.658 687 HE3 LYS 98 2HE LYS 98 3.965 16.615 3.479 688 HZ1 LYS 98 1HZ LYS 98 5.473 18.271 3.547 689 HZ2 LYS 98 2HZ LYS 98 5.189 18.171 5.153 690 HZ3 LYS 98 3HZ LYS 98 6.524 17.480 4.514 691 H VAL 99 H VAL 99 1.290 12.026 4.806 692 HA VAL 99 HA VAL 99 0.674 10.332 7.094 693 HB VAL 99 HB VAL 99 -1.452 10.655 5.975 694 HG11 VAL 99 1HG1 VAL 99 -1.125 11.258 3.780 695 HG12 VAL 99 2HG1 VAL 99 0.156 10.050 3.520 696 HG13 VAL 99 3HG1 VAL 99 -1.550 9.543 3.570 697 HG21 VAL 99 1HG2 VAL 99 -0.081 8.046 6.081 698 HG22 VAL 99 2HG2 VAL 99 -1.651 8.549 6.751 699 HG23 VAL 99 3HG2 VAL 99 -1.523 8.081 5.039 700 H THR 100 H THR 100 1.762 8.332 7.044 701 HA THR 100 HA THR 100 3.650 8.063 4.796 702 HB THR 100 HB THR 100 3.919 7.545 7.797 703 HG1 THR 100 1HG THR 100 4.374 9.698 7.018 704 HG21 THR 100 1HG2 THR 100 6.317 7.233 6.089 705 HG22 THR 100 2HG2 THR 100 5.765 6.224 7.448 706 HG23 THR 100 3HG2 THR 100 5.108 5.955 5.816 707 H LEU 101 H LEU 101 2.604 6.674 3.438 708 HA LEU 101 HA LEU 101 1.319 4.350 4.587 709 HB2 LEU 101 1HB LEU 101 1.530 5.496 1.812 710 HB3 LEU 101 2HB LEU 101 0.865 3.902 2.109 711 HG LEU 101 HG LEU 101 -0.928 5.487 1.895 712 HD11 LEU 101 1HD1 LEU 101 -1.145 5.221 4.806 713 HD12 LEU 101 2HD1 LEU 101 -2.161 4.552 3.506 714 HD13 LEU 101 3HD1 LEU 101 -0.662 3.719 3.982 715 HD21 LEU 101 1HD2 LEU 101 0.580 7.442 2.664 716 HD22 LEU 101 2HD2 LEU 101 -1.158 7.496 3.041 717 HD23 LEU 101 3HD2 LEU 101 0.012 7.032 4.300 718 H GLU 102 H GLU 102 2.386 2.499 5.005 719 HA GLU 102 HA GLU 102 4.986 2.198 3.773 720 HB2 GLU 102 1HB GLU 102 4.932 1.962 6.196 721 HB3 GLU 102 2HB GLU 102 3.635 0.786 6.111 722 HG2 GLU 102 1HG GLU 102 5.039 -0.932 5.378 723 HG3 GLU 102 2HG GLU 102 6.146 0.163 4.573 724 H ILE 103 H ILE 103 5.235 0.919 1.996 725 HA ILE 103 HA ILE 103 3.210 -1.171 1.589 726 HB ILE 103 HB ILE 103 4.780 0.240 -0.561 727 HG12 ILE 103 1HG1 ILE 103 3.346 1.820 0.790 728 HG13 ILE 103 2HG1 ILE 103 2.995 1.743 -0.925 729 HG21 ILE 103 1HG2 ILE 103 2.555 -1.767 -0.494 730 HG22 ILE 103 2HG2 ILE 103 2.655 -0.609 -1.842 731 HG23 ILE 103 3HG2 ILE 103 4.015 -1.708 -1.511 732 HD11 ILE 103 1HD1 ILE 103 1.194 1.292 1.237 733 HD12 ILE 103 2HD1 ILE 103 0.864 1.113 -0.503 734 HD13 ILE 103 3HD1 ILE 103 1.432 -0.284 0.443 735 H GLU 104 H GLU 104 4.104 -3.030 0.165 736 HA GLU 104 HA GLU 104 6.926 -3.425 0.661 737 HB2 GLU 104 1HB GLU 104 6.152 -4.546 2.578 738 HB3 GLU 104 2HB GLU 104 4.685 -5.100 1.796 739 HG2 GLU 104 1HG GLU 104 5.747 -6.893 0.737 740 HG3 GLU 104 2HG GLU 104 7.295 -6.076 0.658 741 H PHE 105 H PHE 105 7.901 -4.220 -1.160 742 HA PHE 105 HA PHE 105 6.151 -5.598 -3.074 743 HB2 PHE 105 1HB PHE 105 8.002 -4.567 -4.691 744 HB3 PHE 105 2HB PHE 105 6.732 -3.515 -4.098 745 HD1 PHE 105 2HD PHE 105 7.257 -2.171 -1.940 746 HD2 PHE 105 1HD PHE 105 10.231 -3.988 -4.361 747 HE1 PHE 105 2HE PHE 105 8.986 -0.629 -0.974 748 HE2 PHE 105 1HE PHE 105 11.960 -2.446 -3.395 749 HZ PHE 105 HZ PHE 105 11.316 -0.785 -1.713 750 H ASP 106 H ASP 106 7.810 -6.686 -4.844 751 HA ASP 106 HA ASP 106 9.508 -8.343 -3.166 752 HB2 ASP 106 1HB ASP 106 9.393 -9.918 -5.195 753 HB3 ASP 106 2HB ASP 106 7.902 -9.697 -4.301 754 H VAL 107 H VAL 107 11.683 -8.917 -4.029 755 HA VAL 107 HA VAL 107 12.614 -6.993 -6.048 756 HB VAL 107 HB VAL 107 14.350 -8.212 -3.922 757 HG11 VAL 107 1HG1 VAL 107 15.740 -6.269 -4.311 758 HG12 VAL 107 2HG1 VAL 107 15.369 -7.040 -5.872 759 HG13 VAL 107 3HG1 VAL 107 14.513 -5.557 -5.386 760 HG21 VAL 107 1HG2 VAL 107 12.704 -7.260 -2.543 761 HG22 VAL 107 2HG2 VAL 107 13.950 -5.995 -2.669 762 HG23 VAL 107 3HG2 VAL 107 12.459 -5.875 -3.633 763 H ALA 108 H ALA 108 13.972 -7.763 -7.702 764 HA ALA 108 HA ALA 108 13.602 -10.485 -8.363 765 HB1 ALA 108 1HB ALA 108 15.735 -9.237 -9.853 766 HB2 ALA 108 2HB ALA 108 14.083 -9.632 -10.384 767 HB3 ALA 108 3HB ALA 108 14.419 -8.062 -9.615 768 H GLU 109 H GLU 109 15.205 -12.169 -8.547 769 HA GLU 109 HA GLU 109 17.338 -11.777 -6.608 770 HB2 GLU 109 1HB GLU 109 15.955 -14.297 -7.617 771 HB3 GLU 109 2HB GLU 109 17.376 -14.334 -6.593 772 HG2 GLU 109 1HG GLU 109 15.812 -12.585 -5.168 773 HG3 GLU 109 2HG GLU 109 14.566 -13.565 -5.916 774 H SER 110 H SER 110 19.471 -12.843 -7.083 775 HA SER 110 HA SER 110 20.054 -12.461 -9.883 776 HB2 SER 110 1HB SER 110 21.670 -12.519 -7.337 777 HB3 SER 110 2HB SER 110 22.490 -12.866 -8.847 778 HG SER 110 HG SER 110 20.797 -10.601 -8.885 779 H VAL 111 H VAL 111 19.702 -14.295 -11.109 780 HA VAL 111 HA VAL 111 21.122 -16.691 -10.298 781 HB VAL 111 HB VAL 111 18.863 -16.877 -9.318 782 HG11 VAL 111 1HG1 VAL 111 16.936 -16.534 -10.441 783 HG12 VAL 111 2HG1 VAL 111 17.963 -15.619 -11.571 784 HG13 VAL 111 3HG1 VAL 111 17.540 -17.312 -11.924 785 HG21 VAL 111 1HG2 VAL 111 18.298 -19.097 -10.386 786 HG22 VAL 111 2HG2 VAL 111 19.585 -18.772 -11.572 787 HG23 VAL 111 3HG2 VAL 111 19.984 -18.920 -9.843 788 H ILE 112 H ILE 112 21.841 -17.908 -12.070 789 HA ILE 112 HA ILE 112 22.259 -16.594 -14.429 790 HB ILE 112 HB ILE 112 22.600 -18.997 -15.317 791 HG12 ILE 112 1HG1 ILE 112 22.843 -19.976 -12.565 792 HG13 ILE 112 2HG1 ILE 112 21.183 -19.658 -13.026 793 HG21 ILE 112 1HG2 ILE 112 24.129 -17.667 -13.088 794 HG22 ILE 112 2HG2 ILE 112 24.683 -19.194 -13.815 795 HG23 ILE 112 3HG2 ILE 112 24.502 -17.740 -14.827 796 HD11 ILE 112 1HD1 ILE 112 21.818 -21.975 -13.608 797 HD12 ILE 112 2HD1 ILE 112 21.479 -21.037 -15.083 798 HD13 ILE 112 3HD1 ILE 112 23.162 -21.366 -14.605 799 HA PRO 113 HA PRO 113 18.161 -16.823 -16.013 800 HB2 PRO 113 1HB PRO 113 18.431 -14.821 -17.854 801 HB3 PRO 113 2HB PRO 113 17.948 -14.537 -16.194 802 HG2 PRO 113 1HG PRO 113 20.558 -14.015 -17.479 803 HG3 PRO 113 2HG PRO 113 19.923 -13.366 -15.981 804 HD2 PRO 113 1HD PRO 113 21.882 -15.442 -16.257 805 HD3 PRO 113 2HD PRO 113 21.162 -14.872 -14.764 806 H SER 114 H SER 114 17.138 -17.873 -17.688 807 HA SER 114 HA SER 114 19.052 -19.173 -19.393 808 HB2 SER 114 1HB SER 114 17.333 -20.747 -19.868 809 HB3 SER 114 2HB SER 114 17.119 -20.350 -18.174 810 HG SER 114 HG SER 114 15.543 -18.637 -19.066 811 H SER 115 H SER 115 18.157 -19.549 -21.805 812 HA SER 115 HA SER 115 17.738 -16.881 -22.810 813 HB2 SER 115 1HB SER 115 18.904 -19.412 -23.826 814 HB3 SER 115 2HB SER 115 17.966 -18.541 -25.023 815 HG SER 115 HG SER 115 20.265 -17.927 -24.930 816 H GLY 116 H GLY 116 16.207 -16.697 -24.813 817 HA2 GLY 116 1HA GLY 116 14.155 -18.519 -25.292 818 HA3 GLY 116 2HA GLY 116 13.601 -17.447 -24.022 819 H SER 117 H SER 117 13.363 -15.152 -24.433 820 HA SER 117 HA SER 117 13.710 -14.404 -27.213 821 HB2 SER 117 1HB SER 117 11.152 -14.776 -25.820 822 HB3 SER 117 2HB SER 117 11.315 -13.141 -26.430 823 HG SER 117 HG SER 117 10.403 -14.926 -27.900 824 H GLY 118 H GLY 118 13.378 -11.903 -27.445 825 HA2 GLY 118 1HA GLY 118 13.255 -10.055 -25.501 826 HA3 GLY 118 2HA GLY 118 14.896 -10.643 -25.322 827 HA PRO 119 HA PRO 119 14.506 -8.642 -29.620 828 HB2 PRO 119 1HB PRO 119 12.269 -7.180 -30.192 829 HB3 PRO 119 2HB PRO 119 12.479 -8.845 -30.694 830 HG2 PRO 119 1HG PRO 119 10.791 -7.763 -28.522 831 HG3 PRO 119 2HG PRO 119 10.699 -9.326 -29.310 832 HD2 PRO 119 1HD PRO 119 11.792 -8.773 -26.716 833 HD3 PRO 119 2HD PRO 119 11.804 -10.313 -27.552 834 H SER 120 H SER 120 14.944 -6.455 -30.516 835 HA SER 120 HA SER 120 14.800 -4.471 -28.422 836 HB2 SER 120 1HB SER 120 17.238 -3.863 -28.855 837 HB3 SER 120 2HB SER 120 16.981 -5.357 -27.975 838 HG SER 120 HG SER 120 18.414 -5.989 -29.514 839 H SER 121 H SER 121 13.980 -2.631 -29.347 840 HA SER 121 HA SER 121 13.192 -1.338 -30.935 841 HB2 SER 121 1HB SER 121 14.925 -0.127 -32.199 842 HB3 SER 121 2HB SER 121 15.451 -0.404 -30.550 843 HG SER 121 HG SER 121 16.468 -1.441 -32.968 844 H GLY 122 H GLY 122 11.753 -2.685 -32.128 845 HA2 GLY 122 1HA GLY 122 12.721 -4.424 -34.199 846 HA3 GLY 122 2HA GLY 122 11.056 -4.051 -33.800 Start of MODEL 11 1 H1 GLY 1 H GLY 1 9.880 -24.194 0.682 2 HA2 GLY 1 1HA GLY 1 7.911 -22.504 1.131 3 HA3 GLY 1 2HA GLY 1 8.851 -23.170 2.451 4 H SER 2 H SER 2 7.527 -20.376 1.620 5 HA SER 2 HA SER 2 9.328 -18.450 1.298 6 HB2 SER 2 1HB SER 2 7.820 -17.001 2.731 7 HB3 SER 2 2HB SER 2 6.989 -17.912 1.486 8 HG SER 2 HG SER 2 7.162 -18.580 4.299 9 H SER 3 H SER 3 11.010 -17.489 2.445 10 HA SER 3 HA SER 3 11.155 -17.919 5.273 11 HB2 SER 3 1HB SER 3 12.567 -19.660 3.509 12 HB3 SER 3 2HB SER 3 13.769 -18.574 4.177 13 HG SER 3 HG SER 3 12.531 -19.135 6.325 14 H GLY 4 H GLY 4 13.289 -17.018 2.454 15 HA2 GLY 4 1HA GLY 4 14.054 -14.942 1.876 16 HA3 GLY 4 2HA GLY 4 13.309 -14.248 3.302 17 H SER 5 H SER 5 16.249 -15.335 1.871 18 HA SER 5 HA SER 5 17.631 -14.625 4.281 19 HB2 SER 5 1HB SER 5 17.144 -17.289 3.972 20 HB3 SER 5 2HB SER 5 18.624 -17.164 3.042 21 HG SER 5 HG SER 5 18.554 -15.906 5.604 22 H SER 6 H SER 6 19.695 -13.732 3.825 23 HA SER 6 HA SER 6 20.135 -13.281 1.017 24 HB2 SER 6 1HB SER 6 20.293 -11.280 2.262 25 HB3 SER 6 2HB SER 6 21.157 -12.045 3.580 26 HG SER 6 HG SER 6 22.132 -11.017 1.133 27 H GLY 7 H GLY 7 20.855 -15.484 0.478 28 HA2 GLY 7 1HA GLY 7 23.695 -15.793 0.758 29 HA3 GLY 7 2HA GLY 7 22.794 -16.968 1.696 30 H ALA 8 H ALA 8 21.328 -18.470 0.608 31 HA ALA 8 HA ALA 8 21.200 -18.448 -2.248 32 HB1 ALA 8 1HB ALA 8 22.882 -20.551 -0.826 33 HB2 ALA 8 2HB ALA 8 22.389 -20.614 -2.535 34 HB3 ALA 8 3HB ALA 8 23.473 -19.322 -1.969 35 H GLY 9 H GLY 9 18.941 -18.456 -1.845 36 HA2 GLY 9 1HA GLY 9 17.939 -20.949 -0.602 37 HA3 GLY 9 2HA GLY 9 17.139 -19.394 -0.483 38 H GLN 10 H GLN 10 15.236 -19.651 -1.613 39 HA GLN 10 HA GLN 10 15.527 -20.071 -4.437 40 HB2 GLN 10 1HB GLN 10 14.572 -22.174 -2.670 41 HB3 GLN 10 2HB GLN 10 13.277 -21.679 -3.742 42 HG2 GLN 10 1HG GLN 10 14.336 -22.485 -5.621 43 HG3 GLN 10 2HG GLN 10 15.919 -21.959 -5.084 44 HE21 GLN 10 1HE2 GLN 10 17.234 -23.603 -4.975 45 HE22 GLN 10 2HE2 GLN 10 16.910 -25.169 -4.309 46 H VAL 11 H VAL 11 14.725 -17.980 -2.322 47 HA VAL 11 HA VAL 11 12.183 -17.291 -3.602 48 HB VAL 11 HB VAL 11 12.749 -16.853 -0.672 49 HG11 VAL 11 1HG1 VAL 11 10.075 -16.872 -0.879 50 HG12 VAL 11 2HG1 VAL 11 11.048 -15.402 -1.123 51 HG13 VAL 11 3HG1 VAL 11 10.474 -16.332 -2.528 52 HG21 VAL 11 1HG2 VAL 11 12.706 -19.301 -1.249 53 HG22 VAL 11 2HG2 VAL 11 11.429 -18.780 -0.124 54 HG23 VAL 11 3HG2 VAL 11 11.042 -19.074 -1.836 55 H VAL 12 H VAL 12 11.779 -14.957 -3.680 56 HA VAL 12 HA VAL 12 14.302 -13.527 -3.866 57 HB VAL 12 HB VAL 12 12.627 -13.612 -5.721 58 HG11 VAL 12 1HG1 VAL 12 10.759 -11.772 -5.334 59 HG12 VAL 12 2HG1 VAL 12 10.499 -13.468 -4.861 60 HG13 VAL 12 3HG1 VAL 12 10.953 -12.262 -3.634 61 HG21 VAL 12 1HG2 VAL 12 13.097 -10.793 -4.712 62 HG22 VAL 12 2HG2 VAL 12 14.378 -11.810 -5.412 63 HG23 VAL 12 3HG2 VAL 12 12.969 -11.350 -6.397 64 H HIS 13 H HIS 13 14.335 -11.197 -3.076 65 HA HIS 13 HA HIS 13 13.207 -11.195 -0.396 66 HB2 HIS 13 1HB HIS 13 14.839 -9.457 0.083 67 HB3 HIS 13 2HB HIS 13 15.612 -10.875 -0.596 68 HD1 HIS 13 1HD HIS 13 16.314 -10.686 -3.217 69 HD2 HIS 13 2HD HIS 13 15.312 -7.101 -1.282 70 HE1 HIS 13 1HE HIS 13 17.230 -8.805 -4.677 71 H THR 14 H THR 14 12.417 -8.996 0.444 72 HA THR 14 HA THR 14 11.080 -7.504 -1.709 73 HB THR 14 HB THR 14 9.148 -7.426 0.116 74 HG1 THR 14 1HG THR 14 9.989 -8.611 1.816 75 HG21 THR 14 1HG2 THR 14 8.933 -8.666 -2.072 76 HG22 THR 14 2HG2 THR 14 9.771 -10.052 -1.335 77 HG23 THR 14 3HG2 THR 14 8.178 -9.547 -0.723 78 H GLU 15 H GLU 15 10.745 -5.286 -1.342 79 HA GLU 15 HA GLU 15 12.219 -4.317 0.983 80 HB2 GLU 15 1HB GLU 15 12.178 -3.296 -1.878 81 HB3 GLU 15 2HB GLU 15 12.678 -2.265 -0.552 82 HG2 GLU 15 1HG GLU 15 14.141 -4.550 -0.019 83 HG3 GLU 15 2HG GLU 15 14.077 -4.599 -1.770 84 H THR 16 H THR 16 11.410 -2.351 1.992 85 HA THR 16 HA THR 16 8.574 -1.887 1.358 86 HB THR 16 HB THR 16 8.931 -0.900 3.881 87 HG1 THR 16 1HG THR 16 10.562 -2.299 4.848 88 HG21 THR 16 1HG2 THR 16 8.403 -3.243 4.747 89 HG22 THR 16 2HG2 THR 16 7.311 -2.693 3.453 90 HG23 THR 16 3HG2 THR 16 8.620 -3.841 3.085 91 H THR 17 H THR 17 7.736 0.242 1.307 92 HA THR 17 HA THR 17 9.756 2.364 1.235 93 HB THR 17 HB THR 17 9.351 1.408 -1.098 94 HG1 THR 17 1HG THR 17 9.405 3.562 -1.775 95 HG21 THR 17 1HG2 THR 17 6.994 0.860 -1.122 96 HG22 THR 17 2HG2 THR 17 6.552 2.448 -0.449 97 HG23 THR 17 3HG2 THR 17 7.152 2.325 -2.121 98 H GLU 18 H GLU 18 9.066 4.363 1.939 99 HA GLU 18 HA GLU 18 6.383 4.293 3.065 100 HB2 GLU 18 1HB GLU 18 8.116 4.587 4.750 101 HB3 GLU 18 2HB GLU 18 8.863 5.885 3.839 102 HG2 GLU 18 1HG GLU 18 6.287 6.847 4.077 103 HG3 GLU 18 2HG GLU 18 6.431 5.936 5.567 104 H VAL 19 H VAL 19 4.826 5.609 2.206 105 HA VAL 19 HA VAL 19 5.734 7.606 0.273 106 HB VAL 19 HB VAL 19 4.157 5.775 -0.381 107 HG11 VAL 19 1HG1 VAL 19 2.901 5.978 1.888 108 HG12 VAL 19 2HG1 VAL 19 1.997 7.284 1.084 109 HG13 VAL 19 3HG1 VAL 19 1.967 5.637 0.411 110 HG21 VAL 19 1HG2 VAL 19 4.367 8.091 -1.476 111 HG22 VAL 19 2HG2 VAL 19 2.902 7.143 -1.830 112 HG23 VAL 19 3HG2 VAL 19 2.836 8.480 -0.657 113 H VAL 20 H VAL 20 5.376 9.785 0.564 114 HA VAL 20 HA VAL 20 3.990 10.496 3.058 115 HB VAL 20 HB VAL 20 6.382 11.715 1.677 116 HG11 VAL 20 1HG1 VAL 20 5.122 12.831 4.184 117 HG12 VAL 20 2HG1 VAL 20 6.314 13.582 3.095 118 HG13 VAL 20 3HG1 VAL 20 4.625 13.385 2.567 119 HG21 VAL 20 1HG2 VAL 20 6.600 11.239 4.532 120 HG22 VAL 20 2HG2 VAL 20 6.153 9.749 3.667 121 HG23 VAL 20 3HG2 VAL 20 7.618 10.645 3.199 122 H LEU 21 H LEU 21 1.926 10.946 2.349 123 HA LEU 21 HA LEU 21 1.708 12.688 0.006 124 HB2 LEU 21 1HB LEU 21 -0.456 11.102 1.389 125 HB3 LEU 21 2HB LEU 21 -0.577 11.955 -0.137 126 HG LEU 21 HG LEU 21 1.363 9.674 0.257 127 HD11 LEU 21 1HD1 LEU 21 -1.455 9.465 0.386 128 HD12 LEU 21 2HD1 LEU 21 -0.962 8.854 -1.211 129 HD13 LEU 21 3HD1 LEU 21 -0.253 8.157 0.265 130 HD21 LEU 21 1HD2 LEU 21 0.089 10.858 -2.226 131 HD22 LEU 21 2HD2 LEU 21 1.758 11.130 -1.669 132 HD23 LEU 21 3HD2 LEU 21 1.243 9.503 -2.178 133 H THR 22 H THR 22 0.741 14.716 0.127 134 HA THR 22 HA THR 22 0.344 15.683 2.873 135 HB THR 22 HB THR 22 0.721 17.354 0.352 136 HG1 THR 22 1HG THR 22 2.671 16.170 2.200 137 HG21 THR 22 1HG2 THR 22 1.973 18.794 2.048 138 HG22 THR 22 2HG2 THR 22 0.227 18.658 2.371 139 HG23 THR 22 3HG2 THR 22 1.386 17.697 3.321 140 H ALA 23 H ALA 23 -1.707 15.583 3.548 141 HA ALA 23 HA ALA 23 -3.927 15.208 2.070 142 HB1 ALA 23 1HB ALA 23 -3.627 16.925 4.568 143 HB2 ALA 23 2HB ALA 23 -5.149 16.218 3.976 144 HB3 ALA 23 3HB ALA 23 -3.830 15.157 4.528 145 H ASP 24 H ASP 24 -4.147 16.260 0.098 146 HA ASP 24 HA ASP 24 -3.487 18.807 -0.463 147 HB2 ASP 24 1HB ASP 24 -5.001 16.715 -1.669 148 HB3 ASP 24 2HB ASP 24 -6.030 18.133 -1.741 149 HA PRO 25 HA PRO 25 -6.621 21.314 1.312 150 HB2 PRO 25 1HB PRO 25 -7.178 23.206 -0.580 151 HB3 PRO 25 2HB PRO 25 -5.757 23.263 0.443 152 HG2 PRO 25 1HG PRO 25 -5.956 22.524 -2.412 153 HG3 PRO 25 2HG PRO 25 -4.538 22.995 -1.496 154 HD2 PRO 25 1HD PRO 25 -5.260 20.336 -2.293 155 HD3 PRO 25 2HD PRO 25 -3.906 20.795 -1.280 156 H VAL 26 H VAL 26 -7.378 19.448 -1.351 157 HA VAL 26 HA VAL 26 -10.212 19.751 -0.664 158 HB VAL 26 HB VAL 26 -8.901 19.805 -3.371 159 HG11 VAL 26 1HG1 VAL 26 -11.836 19.219 -2.854 160 HG12 VAL 26 2HG1 VAL 26 -11.037 19.386 -4.436 161 HG13 VAL 26 3HG1 VAL 26 -10.632 18.016 -3.374 162 HG21 VAL 26 1HG2 VAL 26 -10.205 21.784 -3.717 163 HG22 VAL 26 2HG2 VAL 26 -11.157 21.489 -2.242 164 HG23 VAL 26 3HG2 VAL 26 -9.436 21.928 -2.118 165 H THR 27 H THR 27 -7.884 17.750 -2.621 166 HA THR 27 HA THR 27 -9.306 15.376 -1.644 167 HB THR 27 HB THR 27 -7.930 14.339 -3.594 168 HG1 THR 27 1HG THR 27 -6.521 15.837 -4.408 169 HG21 THR 27 1HG2 THR 27 -9.642 14.810 -5.076 170 HG22 THR 27 2HG2 THR 27 -10.398 15.577 -3.659 171 HG23 THR 27 3HG2 THR 27 -9.493 16.566 -4.830 172 H GLY 28 H GLY 28 -8.269 15.873 0.521 173 HA2 GLY 28 1HA GLY 28 -5.866 16.003 1.411 174 HA3 GLY 28 2HA GLY 28 -6.878 14.682 1.960 175 H PHE 29 H PHE 29 -6.662 12.542 0.965 176 HA PHE 29 HA PHE 29 -4.046 12.239 -0.331 177 HB2 PHE 29 1HB PHE 29 -5.720 10.214 1.264 178 HB3 PHE 29 2HB PHE 29 -4.043 10.023 0.796 179 HD1 PHE 29 1HD PHE 29 -2.770 12.488 1.573 180 HD2 PHE 29 2HD PHE 29 -5.839 10.336 3.562 181 HE1 PHE 29 1HE PHE 29 -2.046 13.479 3.762 182 HE2 PHE 29 2HE PHE 29 -5.115 11.327 5.752 183 HZ PHE 29 HZ PHE 29 -3.227 12.887 5.825 184 H GLY 30 H GLY 30 -7.498 11.231 -0.264 185 HA2 GLY 30 1HA GLY 30 -8.814 10.400 -1.888 186 HA3 GLY 30 2HA GLY 30 -7.586 10.836 -3.059 187 H ILE 31 H ILE 31 -7.925 8.448 -0.327 188 HA ILE 31 HA ILE 31 -7.077 6.383 -2.228 189 HB ILE 31 HB ILE 31 -6.172 6.460 0.641 190 HG12 ILE 31 1HG1 ILE 31 -4.579 7.417 -1.753 191 HG13 ILE 31 2HG1 ILE 31 -5.367 8.483 -0.608 192 HG21 ILE 31 1HG2 ILE 31 -5.084 4.550 0.211 193 HG22 ILE 31 2HG2 ILE 31 -6.207 4.407 -1.163 194 HG23 ILE 31 3HG2 ILE 31 -4.578 5.081 -1.410 195 HD11 ILE 31 1HD1 ILE 31 -4.061 7.351 1.254 196 HD12 ILE 31 2HD1 ILE 31 -3.169 6.458 0.000 197 HD13 ILE 31 3HD1 ILE 31 -3.052 8.232 0.082 198 H GLN 32 H GLN 32 -8.135 4.391 -2.030 199 HA GLN 32 HA GLN 32 -10.248 4.394 -0.017 200 HB2 GLN 32 1HB GLN 32 -10.331 3.859 -2.960 201 HB3 GLN 32 2HB GLN 32 -11.292 2.788 -1.959 202 HG2 GLN 32 1HG GLN 32 -11.620 5.561 -1.084 203 HG3 GLN 32 2HG GLN 32 -11.967 5.418 -2.796 204 HE21 GLN 32 1HE2 GLN 32 -13.454 5.579 -0.032 205 HE22 GLN 32 2HE2 GLN 32 -14.781 4.483 -0.221 206 H LEU 33 H LEU 33 -10.415 2.563 1.265 207 HA LEU 33 HA LEU 33 -8.444 0.477 0.707 208 HB2 LEU 33 1HB LEU 33 -9.945 1.129 3.247 209 HB3 LEU 33 2HB LEU 33 -8.724 -0.115 3.063 210 HG LEU 33 HG LEU 33 -7.793 1.827 4.168 211 HD11 LEU 33 1HD1 LEU 33 -6.367 2.282 1.682 212 HD12 LEU 33 2HD1 LEU 33 -5.829 1.492 3.183 213 HD13 LEU 33 3HD1 LEU 33 -6.695 0.552 1.944 214 HD21 LEU 33 1HD2 LEU 33 -9.462 3.401 2.925 215 HD22 LEU 33 2HD2 LEU 33 -7.862 4.007 3.414 216 HD23 LEU 33 3HD2 LEU 33 -8.155 3.532 1.724 217 H GLN 34 H GLN 34 -9.092 -1.807 1.087 218 HA GLN 34 HA GLN 34 -11.879 -2.131 0.291 219 HB2 GLN 34 1HB GLN 34 -11.176 -4.235 -0.796 220 HB3 GLN 34 2HB GLN 34 -10.263 -2.875 -1.420 221 HG2 GLN 34 1HG GLN 34 -8.389 -4.066 -0.933 222 HG3 GLN 34 2HG GLN 34 -8.707 -3.700 0.751 223 HE21 GLN 34 1HE2 GLN 34 -8.000 -5.547 1.644 224 HE22 GLN 34 2HE2 GLN 34 -8.709 -7.110 1.407 225 H GLY 35 H GLY 35 -12.969 -4.166 1.092 226 HA2 GLY 35 1HA GLY 35 -12.442 -4.483 3.914 227 HA3 GLY 35 2HA GLY 35 -13.765 -5.157 2.984 228 H SER 36 H SER 36 -13.680 -7.290 2.308 229 HA SER 36 HA SER 36 -11.154 -8.631 2.874 230 HB2 SER 36 1HB SER 36 -14.043 -9.494 3.110 231 HB3 SER 36 2HB SER 36 -12.805 -10.710 2.871 232 HG SER 36 HG SER 36 -11.851 -10.202 4.824 233 H VAL 37 H VAL 37 -10.427 -10.297 1.356 234 HA VAL 37 HA VAL 37 -10.834 -9.584 -1.325 235 HB VAL 37 HB VAL 37 -9.602 -12.019 -0.025 236 HG11 VAL 37 1HG1 VAL 37 -8.357 -11.961 -2.376 237 HG12 VAL 37 2HG1 VAL 37 -9.886 -12.842 -2.146 238 HG13 VAL 37 3HG1 VAL 37 -9.894 -11.228 -2.896 239 HG21 VAL 37 1HG2 VAL 37 -7.813 -10.130 -1.344 240 HG22 VAL 37 2HG2 VAL 37 -8.757 -9.362 -0.046 241 HG23 VAL 37 3HG2 VAL 37 -7.759 -10.793 0.307 242 H PHE 38 H PHE 38 -11.778 -12.607 0.469 243 HA PHE 38 HA PHE 38 -14.127 -12.716 -1.271 244 HB2 PHE 38 1HB PHE 38 -11.795 -14.526 -1.029 245 HB3 PHE 38 2HB PHE 38 -13.277 -15.378 -0.645 246 HD1 PHE 38 1HD PHE 38 -15.024 -15.662 -2.347 247 HD2 PHE 38 2HD PHE 38 -11.340 -13.770 -3.274 248 HE1 PHE 38 1HE PHE 38 -15.490 -15.954 -4.796 249 HE2 PHE 38 2HE PHE 38 -11.807 -14.062 -5.723 250 HZ PHE 38 HZ PHE 38 -13.876 -15.150 -6.455 251 H ALA 39 H ALA 39 -13.791 -11.733 1.492 252 HA ALA 39 HA ALA 39 -14.727 -11.925 3.487 253 HB1 ALA 39 1HB ALA 39 -16.595 -13.794 1.974 254 HB2 ALA 39 2HB ALA 39 -16.914 -13.126 3.593 255 HB3 ALA 39 3HB ALA 39 -16.792 -12.038 2.189 256 H THR 40 H THR 40 -13.069 -12.828 4.710 257 HA THR 40 HA THR 40 -13.006 -15.769 4.805 258 HB THR 40 HB THR 40 -10.948 -13.570 5.299 259 HG1 THR 40 1HG THR 40 -11.268 -16.016 3.706 260 HG21 THR 40 1HG2 THR 40 -11.107 -16.280 6.495 261 HG22 THR 40 2HG2 THR 40 -9.644 -16.037 5.509 262 HG23 THR 40 3HG2 THR 40 -9.990 -14.946 6.873 263 H GLU 41 H GLU 41 -13.157 -12.769 6.784 264 HA GLU 41 HA GLU 41 -14.874 -13.814 8.602 265 HB2 GLU 41 1HB GLU 41 -12.208 -14.846 9.028 266 HB3 GLU 41 2HB GLU 41 -12.613 -13.794 10.370 267 HG2 GLU 41 1HG GLU 41 -14.975 -15.171 10.116 268 HG3 GLU 41 2HG GLU 41 -13.851 -16.391 9.550 269 H THR 42 H THR 42 -11.763 -11.933 8.543 270 HA THR 42 HA THR 42 -13.304 -9.566 9.308 271 HB THR 42 HB THR 42 -11.584 -9.039 11.042 272 HG1 THR 42 1HG THR 42 -9.995 -10.453 9.771 273 HG21 THR 42 1HG2 THR 42 -13.599 -10.846 11.417 274 HG22 THR 42 2HG2 THR 42 -12.198 -11.908 11.697 275 HG23 THR 42 3HG2 THR 42 -12.423 -10.450 12.693 276 H LEU 43 H LEU 43 -10.298 -8.539 9.709 277 HA LEU 43 HA LEU 43 -9.903 -8.110 6.828 278 HB2 LEU 43 1HB LEU 43 -10.777 -6.140 8.042 279 HB3 LEU 43 2HB LEU 43 -9.372 -6.178 9.089 280 HG LEU 43 HG LEU 43 -7.986 -5.955 6.913 281 HD11 LEU 43 1HD1 LEU 43 -8.981 -5.153 4.974 282 HD12 LEU 43 2HD1 LEU 43 -10.119 -6.409 5.519 283 HD13 LEU 43 3HD1 LEU 43 -10.483 -4.691 5.809 284 HD21 LEU 43 1HD2 LEU 43 -9.436 -3.415 7.275 285 HD22 LEU 43 2HD2 LEU 43 -8.844 -4.164 8.777 286 HD23 LEU 43 3HD2 LEU 43 -7.707 -3.795 7.458 287 H SER 44 H SER 44 -8.857 -10.372 8.200 288 HA SER 44 HA SER 44 -6.301 -9.846 9.191 289 HB2 SER 44 1HB SER 44 -7.576 -12.368 8.053 290 HB3 SER 44 2HB SER 44 -5.976 -12.353 8.767 291 HG SER 44 HG SER 44 -8.129 -11.219 10.268 292 H SER 45 H SER 45 -5.775 -8.250 7.328 293 HA SER 45 HA SER 45 -3.817 -9.308 5.768 294 HB2 SER 45 1HB SER 45 -6.389 -9.862 4.634 295 HB3 SER 45 2HB SER 45 -5.656 -8.621 3.637 296 HG SER 45 HG SER 45 -4.797 -11.297 4.130 297 HA PRO 46 HA PRO 46 -3.312 -5.059 4.916 298 HB2 PRO 46 1HB PRO 46 -2.333 -4.866 2.372 299 HB3 PRO 46 2HB PRO 46 -1.351 -5.340 3.743 300 HG2 PRO 46 1HG PRO 46 -2.445 -7.027 1.577 301 HG3 PRO 46 2HG PRO 46 -1.141 -7.382 2.692 302 HD2 PRO 46 1HD PRO 46 -3.823 -8.393 2.810 303 HD3 PRO 46 2HD PRO 46 -2.552 -8.654 3.988 304 HA PRO 47 HA PRO 47 -6.812 -3.381 3.182 305 HB2 PRO 47 1HB PRO 47 -6.329 -0.719 3.566 306 HB3 PRO 47 2HB PRO 47 -6.968 -1.767 4.816 307 HG2 PRO 47 1HG PRO 47 -4.236 -0.675 4.531 308 HG3 PRO 47 2HG PRO 47 -5.004 -1.352 5.952 309 HD2 PRO 47 1HD PRO 47 -3.062 -2.635 4.276 310 HD3 PRO 47 2HD PRO 47 -3.916 -3.351 5.628 311 H LEU 48 H LEU 48 -6.003 -4.362 1.120 312 HA LEU 48 HA LEU 48 -4.460 -3.129 -0.677 313 HB2 LEU 48 1HB LEU 48 -6.642 -5.010 -0.720 314 HB3 LEU 48 2HB LEU 48 -6.709 -3.984 -2.139 315 HG LEU 48 HG LEU 48 -4.197 -4.560 -2.427 316 HD11 LEU 48 1HD1 LEU 48 -3.264 -6.338 -1.329 317 HD12 LEU 48 2HD1 LEU 48 -4.297 -5.677 -0.039 318 HD13 LEU 48 3HD1 LEU 48 -4.836 -7.093 -0.973 319 HD21 LEU 48 1HD2 LEU 48 -4.953 -6.898 -3.391 320 HD22 LEU 48 2HD2 LEU 48 -6.576 -6.274 -3.011 321 HD23 LEU 48 3HD2 LEU 48 -5.511 -5.371 -4.115 322 H ILE 49 H ILE 49 -4.479 -1.357 -2.035 323 HA ILE 49 HA ILE 49 -6.229 0.748 -1.315 324 HB ILE 49 HB ILE 49 -3.966 0.330 -3.195 325 HG12 ILE 49 1HG1 ILE 49 -4.578 2.507 -1.175 326 HG13 ILE 49 2HG1 ILE 49 -3.684 1.043 -0.819 327 HG21 ILE 49 1HG2 ILE 49 -5.029 1.507 -4.804 328 HG22 ILE 49 2HG2 ILE 49 -6.189 2.236 -3.667 329 HG23 ILE 49 3HG2 ILE 49 -4.539 2.891 -3.797 330 HD11 ILE 49 1HD1 ILE 49 -2.011 2.674 -1.296 331 HD12 ILE 49 2HD1 ILE 49 -2.122 1.702 -2.783 332 HD13 ILE 49 3HD1 ILE 49 -2.905 3.298 -2.703 333 H SER 50 H SER 50 -8.359 -0.135 -1.651 334 HA SER 50 HA SER 50 -9.344 -1.376 -3.761 335 HB2 SER 50 1HB SER 50 -10.745 -0.782 -1.874 336 HB3 SER 50 2HB SER 50 -10.573 0.931 -2.200 337 HG SER 50 HG SER 50 -11.716 0.571 -4.248 338 H TYR 51 H TYR 51 -9.283 2.263 -3.508 339 HA TYR 51 HA TYR 51 -8.739 2.377 -6.369 340 HB2 TYR 51 1HB TYR 51 -11.242 2.466 -6.009 341 HB3 TYR 51 2HB TYR 51 -11.030 3.722 -4.805 342 HD1 TYR 51 1HD TYR 51 -10.490 2.997 -8.432 343 HD2 TYR 51 2HD TYR 51 -11.066 5.990 -5.430 344 HE1 TYR 51 1HE TYR 51 -10.717 4.774 -10.236 345 HE2 TYR 51 2HE TYR 51 -11.291 7.757 -7.244 346 HH TYR 51 HH TYR 51 -11.070 8.189 -9.368 347 H ILE 52 H ILE 52 -8.001 4.549 -7.063 348 HA ILE 52 HA ILE 52 -6.976 6.090 -4.781 349 HB ILE 52 HB ILE 52 -5.611 5.397 -7.382 350 HG12 ILE 52 1HG1 ILE 52 -4.463 4.874 -4.668 351 HG13 ILE 52 2HG1 ILE 52 -5.735 3.817 -5.247 352 HG21 ILE 52 1HG2 ILE 52 -5.203 7.744 -6.800 353 HG22 ILE 52 2HG2 ILE 52 -4.660 7.249 -5.179 354 HG23 ILE 52 3HG2 ILE 52 -3.736 6.752 -6.617 355 HD11 ILE 52 1HD1 ILE 52 -4.173 3.933 -7.493 356 HD12 ILE 52 2HD1 ILE 52 -2.937 4.135 -6.228 357 HD13 ILE 52 3HD1 ILE 52 -3.986 2.697 -6.226 358 H GLU 53 H GLU 53 -8.133 7.939 -4.661 359 HA GLU 53 HA GLU 53 -9.733 8.920 -6.607 360 HB2 GLU 53 1HB GLU 53 -9.063 9.638 -4.021 361 HB3 GLU 53 2HB GLU 53 -8.450 11.006 -4.927 362 HG2 GLU 53 1HG GLU 53 -10.969 10.492 -6.092 363 HG3 GLU 53 2HG GLU 53 -11.235 10.235 -4.380 364 H ALA 54 H ALA 54 -9.565 10.815 -8.053 365 HA ALA 54 HA ALA 54 -6.938 10.896 -9.283 366 HB1 ALA 54 1HB ALA 54 -8.420 12.380 -10.918 367 HB2 ALA 54 2HB ALA 54 -8.551 10.605 -10.920 368 HB3 ALA 54 3HB ALA 54 -9.760 11.585 -10.057 369 H ASP 55 H ASP 55 -6.262 13.176 -10.148 370 HA ASP 55 HA ASP 55 -5.384 15.083 -9.578 371 HB2 ASP 55 1HB ASP 55 -8.129 15.417 -9.691 372 HB3 ASP 55 2HB ASP 55 -7.781 16.070 -8.102 373 H SER 56 H SER 56 -5.384 12.833 -7.513 374 HA SER 56 HA SER 56 -5.281 14.446 -5.092 375 HB2 SER 56 1HB SER 56 -6.178 12.679 -3.998 376 HB3 SER 56 2HB SER 56 -6.495 11.979 -5.573 377 HG SER 56 HG SER 56 -4.909 10.543 -5.301 378 HA PRO 57 HA PRO 57 -0.987 13.787 -4.830 379 HB2 PRO 57 1HB PRO 57 -0.506 13.493 -2.156 380 HB3 PRO 57 2HB PRO 57 -0.784 15.048 -2.915 381 HG2 PRO 57 1HG PRO 57 -2.613 13.459 -1.221 382 HG3 PRO 57 2HG PRO 57 -2.695 15.161 -1.629 383 HD2 PRO 57 1HD PRO 57 -4.289 13.051 -2.741 384 HD3 PRO 57 2HD PRO 57 -4.289 14.734 -3.229 385 H ALA 58 H ALA 58 -3.017 11.318 -3.633 386 HA ALA 58 HA ALA 58 -0.947 9.435 -3.172 387 HB1 ALA 58 1HB ALA 58 -3.947 9.214 -3.620 388 HB2 ALA 58 2HB ALA 58 -2.907 7.829 -3.210 389 HB3 ALA 58 3HB ALA 58 -3.074 9.185 -2.069 390 H GLU 59 H GLU 59 -2.636 10.674 -6.002 391 HA GLU 59 HA GLU 59 -1.709 8.417 -7.561 392 HB2 GLU 59 1HB GLU 59 -4.070 9.309 -7.802 393 HB3 GLU 59 2HB GLU 59 -3.400 10.796 -8.444 394 HG2 GLU 59 1HG GLU 59 -3.639 9.733 -10.465 395 HG3 GLU 59 2HG GLU 59 -2.101 9.005 -10.044 396 H ARG 60 H ARG 60 -1.302 11.963 -7.148 397 HA ARG 60 HA ARG 60 0.076 12.657 -9.294 398 HB2 ARG 60 1HB ARG 60 0.211 13.416 -6.404 399 HB3 ARG 60 2HB ARG 60 1.598 13.908 -7.357 400 HG2 ARG 60 1HG ARG 60 -0.237 14.764 -9.080 401 HG3 ARG 60 2HG ARG 60 -1.306 14.705 -7.692 402 HD2 ARG 60 1HD ARG 60 0.576 16.066 -6.455 403 HD3 ARG 60 2HD ARG 60 1.198 16.389 -8.061 404 HE ARG 60 HE ARG 60 -1.523 16.994 -8.241 405 HH11 ARG 60 2HH2 ARG 60 1.155 18.076 -6.232 406 HH12 ARG 60 1HH2 ARG 60 0.502 19.662 -5.991 407 HH21 ARG 60 2HH1 ARG 60 -2.386 19.086 -7.924 408 HH22 ARG 60 1HH1 ARG 60 -1.526 20.241 -6.961 409 H CYS 61 H CYS 61 1.510 11.095 -6.336 410 HA CYS 61 HA CYS 61 4.095 10.943 -7.406 411 HB2 CYS 61 1HB CYS 61 2.934 9.160 -5.246 412 HB3 CYS 61 2HB CYS 61 4.621 9.555 -5.512 413 HG CYS 61 HG CYS 61 2.737 10.833 -3.572 414 H GLY 62 H GLY 62 1.171 8.882 -7.509 415 HA2 GLY 62 1HA GLY 62 0.656 7.060 -8.716 416 HA3 GLY 62 2HA GLY 62 1.928 7.526 -9.828 417 H VAL 63 H VAL 63 2.790 7.015 -6.442 418 HA VAL 63 HA VAL 63 4.396 4.746 -7.254 419 HB VAL 63 HB VAL 63 5.403 5.006 -5.043 420 HG11 VAL 63 1HG1 VAL 63 5.770 7.728 -5.524 421 HG12 VAL 63 2HG1 VAL 63 6.717 6.388 -6.214 422 HG13 VAL 63 3HG1 VAL 63 5.335 7.058 -7.115 423 HG21 VAL 63 1HG2 VAL 63 2.976 6.509 -4.514 424 HG22 VAL 63 2HG2 VAL 63 4.183 5.860 -3.378 425 HG23 VAL 63 3HG2 VAL 63 4.423 7.464 -4.112 426 H LEU 64 H LEU 64 1.251 5.330 -6.090 427 HA LEU 64 HA LEU 64 1.198 2.722 -4.746 428 HB2 LEU 64 1HB LEU 64 -0.864 4.914 -4.563 429 HB3 LEU 64 2HB LEU 64 -0.741 3.469 -3.580 430 HG LEU 64 HG LEU 64 1.615 5.272 -3.510 431 HD11 LEU 64 1HD1 LEU 64 0.591 7.152 -2.943 432 HD12 LEU 64 2HD1 LEU 64 -0.990 6.380 -3.210 433 HD13 LEU 64 3HD1 LEU 64 -0.229 6.315 -1.603 434 HD21 LEU 64 1HD2 LEU 64 0.781 4.706 -0.932 435 HD22 LEU 64 2HD2 LEU 64 0.314 3.255 -1.850 436 HD23 LEU 64 3HD2 LEU 64 2.003 3.814 -1.870 437 H GLN 65 H GLN 65 0.264 1.047 -5.791 438 HA GLN 65 HA GLN 65 -1.251 1.736 -8.173 439 HB2 GLN 65 1HB GLN 65 0.321 -0.715 -7.331 440 HB3 GLN 65 2HB GLN 65 -0.876 -0.831 -8.605 441 HG2 GLN 65 1HG GLN 65 0.415 1.366 -9.506 442 HG3 GLN 65 2HG GLN 65 1.731 0.678 -8.575 443 HE21 GLN 65 1HE2 GLN 65 2.930 0.250 -10.406 444 HE22 GLN 65 2HE2 GLN 65 2.575 -1.046 -11.499 445 H ILE 66 H ILE 66 -3.240 0.471 -8.668 446 HA ILE 66 HA ILE 66 -4.915 0.337 -6.406 447 HB ILE 66 HB ILE 66 -5.248 -0.488 -9.286 448 HG12 ILE 66 1HG1 ILE 66 -4.955 1.943 -8.739 449 HG13 ILE 66 2HG1 ILE 66 -6.455 1.540 -9.550 450 HG21 ILE 66 1HG2 ILE 66 -7.786 -0.166 -8.170 451 HG22 ILE 66 2HG2 ILE 66 -7.022 -1.687 -8.692 452 HG23 ILE 66 3HG2 ILE 66 -6.895 -1.163 -6.995 453 HD11 ILE 66 1HD1 ILE 66 -7.465 2.701 -7.870 454 HD12 ILE 66 2HD1 ILE 66 -7.161 1.256 -6.876 455 HD13 ILE 66 3HD1 ILE 66 -6.019 2.621 -6.834 456 H GLY 67 H GLY 67 -4.595 -1.162 -4.834 457 HA2 GLY 67 1HA GLY 67 -5.150 -3.417 -4.237 458 HA3 GLY 67 2HA GLY 67 -4.403 -3.974 -5.721 459 H ASP 68 H ASP 68 -2.842 -1.332 -3.979 460 HA ASP 68 HA ASP 68 -0.427 -2.524 -3.856 461 HB2 ASP 68 1HB ASP 68 0.175 -0.818 -2.204 462 HB3 ASP 68 2HB ASP 68 -0.895 -0.113 -3.400 463 H ARG 69 H ARG 69 0.676 -2.679 -1.352 464 HA ARG 69 HA ARG 69 -1.105 -4.328 0.225 465 HB2 ARG 69 1HB ARG 69 1.220 -5.726 0.558 466 HB3 ARG 69 2HB ARG 69 0.008 -6.160 -0.632 467 HG2 ARG 69 1HG ARG 69 2.216 -4.178 -1.305 468 HG3 ARG 69 2HG ARG 69 2.492 -5.905 -1.421 469 HD2 ARG 69 1HD ARG 69 0.143 -5.775 -2.789 470 HD3 ARG 69 2HD ARG 69 0.718 -4.148 -3.095 471 HE ARG 69 HE ARG 69 1.915 -6.646 -4.085 472 HH11 ARG 69 2HH2 ARG 69 2.402 -3.209 -3.512 473 HH12 ARG 69 1HH2 ARG 69 3.688 -3.068 -4.664 474 HH21 ARG 69 2HH1 ARG 69 3.611 -6.462 -5.605 475 HH22 ARG 69 1HH1 ARG 69 4.380 -4.931 -5.863 476 H VAL 70 H VAL 70 -0.948 -2.041 1.299 477 HA VAL 70 HA VAL 70 1.475 -1.236 2.467 478 HB VAL 70 HB VAL 70 -0.390 0.257 2.039 479 HG11 VAL 70 1HG1 VAL 70 -2.058 -1.670 2.850 480 HG12 VAL 70 2HG1 VAL 70 -1.963 -0.747 4.369 481 HG13 VAL 70 3HG1 VAL 70 -2.507 0.052 2.874 482 HG21 VAL 70 1HG2 VAL 70 0.033 1.618 3.817 483 HG22 VAL 70 2HG2 VAL 70 -0.276 0.339 5.015 484 HG23 VAL 70 3HG2 VAL 70 1.276 0.386 4.143 485 H MET 71 H MET 71 2.622 -2.271 4.008 486 HA MET 71 HA MET 71 1.397 -4.344 5.496 487 HB2 MET 71 1HB MET 71 4.136 -3.017 5.883 488 HB3 MET 71 2HB MET 71 3.678 -4.614 6.441 489 HG2 MET 71 1HG MET 71 3.625 -3.842 3.489 490 HG3 MET 71 2HG MET 71 5.049 -4.516 4.256 491 HE1 MET 71 1HE MET 71 4.477 -7.986 4.995 492 HE2 MET 71 2HE MET 71 5.145 -6.440 5.570 493 HE3 MET 71 3HE MET 71 3.637 -7.073 6.271 494 H ALA 72 H ALA 72 1.980 -0.909 5.955 495 HA ALA 72 HA ALA 72 0.555 -0.983 8.433 496 HB1 ALA 72 1HB ALA 72 2.759 -1.558 9.291 497 HB2 ALA 72 2HB ALA 72 3.501 -0.218 8.384 498 HB3 ALA 72 3HB ALA 72 2.390 0.127 9.731 499 H ILE 73 H ILE 73 0.054 1.257 9.181 500 HA ILE 73 HA ILE 73 0.467 3.210 7.030 501 HB ILE 73 HB ILE 73 -2.082 2.497 8.467 502 HG12 ILE 73 1HG1 ILE 73 -1.303 2.588 5.538 503 HG13 ILE 73 2HG1 ILE 73 -1.594 1.151 6.499 504 HG21 ILE 73 1HG2 ILE 73 -1.217 5.104 7.742 505 HG22 ILE 73 2HG2 ILE 73 -2.480 4.612 6.589 506 HG23 ILE 73 3HG2 ILE 73 -2.812 4.584 8.337 507 HD11 ILE 73 1HD1 ILE 73 -3.507 2.661 5.036 508 HD12 ILE 73 2HD1 ILE 73 -3.822 1.288 6.123 509 HD13 ILE 73 3HD1 ILE 73 -3.864 2.951 6.755 510 H ASN 74 H ASN 74 1.757 4.780 7.821 511 HA ASN 74 HA ASN 74 2.573 6.297 9.136 512 HB2 ASN 74 1HB ASN 74 -0.237 6.232 9.857 513 HB3 ASN 74 2HB ASN 74 0.688 6.506 11.320 514 HD21 ASN 74 1HD2 ASN 74 -0.799 7.950 8.778 515 HD22 ASN 74 2HD2 ASN 74 0.014 9.479 8.730 516 H GLY 75 H GLY 75 2.616 3.227 9.756 517 HA2 GLY 75 1HA GLY 75 4.238 2.325 11.245 518 HA3 GLY 75 2HA GLY 75 3.753 3.486 12.466 519 H ILE 76 H ILE 76 0.801 2.915 11.411 520 HA ILE 76 HA ILE 76 0.175 1.103 13.473 521 HB ILE 76 HB ILE 76 -1.394 2.280 11.186 522 HG12 ILE 76 1HG1 ILE 76 -0.576 3.782 13.020 523 HG13 ILE 76 2HG1 ILE 76 -2.316 3.749 12.810 524 HG21 ILE 76 1HG2 ILE 76 -2.320 0.404 13.369 525 HG22 ILE 76 2HG2 ILE 76 -3.417 1.465 12.454 526 HG23 ILE 76 3HG2 ILE 76 -2.479 0.212 11.607 527 HD11 ILE 76 1HD1 ILE 76 -1.864 3.612 15.188 528 HD12 ILE 76 2HD1 ILE 76 -2.440 2.011 14.665 529 HD13 ILE 76 3HD1 ILE 76 -0.703 2.285 14.944 530 HA PRO 77 HA PRO 77 0.918 -2.575 11.287 531 HB2 PRO 77 1HB PRO 77 0.074 -4.337 13.198 532 HB3 PRO 77 2HB PRO 77 1.678 -3.632 13.187 533 HG2 PRO 77 1HG PRO 77 -0.621 -2.979 14.927 534 HG3 PRO 77 2HG PRO 77 1.075 -2.609 15.164 535 HD2 PRO 77 1HD PRO 77 -0.972 -0.796 14.300 536 HD3 PRO 77 2HD PRO 77 0.743 -0.457 14.426 537 H THR 78 H THR 78 -0.701 -1.817 9.701 538 HA THR 78 HA THR 78 -3.389 -2.502 10.049 539 HB THR 78 HB THR 78 -3.518 -1.990 7.664 540 HG1 THR 78 1HG THR 78 -0.641 -2.522 7.908 541 HG21 THR 78 1HG2 THR 78 -1.931 -0.337 9.445 542 HG22 THR 78 2HG2 THR 78 -1.203 -0.289 7.822 543 HG23 THR 78 3HG2 THR 78 -2.906 0.176 8.047 544 H GLU 79 H GLU 79 -3.487 -4.580 11.027 545 HA GLU 79 HA GLU 79 -3.950 -6.592 9.219 546 HB2 GLU 79 1HB GLU 79 -2.090 -8.165 9.675 547 HB3 GLU 79 2HB GLU 79 -1.515 -6.704 8.896 548 HG2 GLU 79 1HG GLU 79 -1.112 -5.838 11.359 549 HG3 GLU 79 2HG GLU 79 -1.221 -7.531 11.801 550 H ASP 80 H ASP 80 -5.526 -5.665 11.161 551 HA ASP 80 HA ASP 80 -6.177 -7.840 12.633 552 HB2 ASP 80 1HB ASP 80 -3.903 -6.643 13.779 553 HB3 ASP 80 2HB ASP 80 -5.222 -6.006 14.742 554 H SER 81 H SER 81 -5.792 -4.250 12.646 555 HA SER 81 HA SER 81 -7.989 -3.641 14.184 556 HB2 SER 81 1HB SER 81 -6.986 -1.989 11.831 557 HB3 SER 81 2HB SER 81 -7.794 -1.400 13.270 558 HG SER 81 HG SER 81 -5.143 -1.742 12.872 559 H THR 82 H THR 82 -9.573 -1.869 12.543 560 HA THR 82 HA THR 82 -10.950 -3.840 10.838 561 HB THR 82 HB THR 82 -13.010 -2.956 11.657 562 HG1 THR 82 1HG THR 82 -11.244 -0.790 12.561 563 HG21 THR 82 1HG2 THR 82 -11.490 -4.018 13.542 564 HG22 THR 82 2HG2 THR 82 -11.286 -2.335 14.085 565 HG23 THR 82 3HG2 THR 82 -12.909 -3.063 14.034 566 H PHE 83 H PHE 83 -12.091 -2.993 8.951 567 HA PHE 83 HA PHE 83 -10.483 -1.551 7.310 568 HB2 PHE 83 1HB PHE 83 -12.351 -2.761 6.393 569 HB3 PHE 83 2HB PHE 83 -13.473 -2.084 7.557 570 HD1 PHE 83 1HD PHE 83 -11.711 -1.495 4.399 571 HD2 PHE 83 2HD PHE 83 -14.511 0.069 7.178 572 HE1 PHE 83 1HE PHE 83 -12.440 0.208 2.706 573 HE2 PHE 83 2HE PHE 83 -15.240 1.772 5.484 574 HZ PHE 83 HZ PHE 83 -14.196 1.821 3.269 575 H GLU 84 H GLU 84 -12.576 -0.361 9.877 576 HA GLU 84 HA GLU 84 -12.818 2.245 8.819 577 HB2 GLU 84 1HB GLU 84 -13.487 0.863 11.398 578 HB3 GLU 84 2HB GLU 84 -13.349 2.609 11.449 579 HG2 GLU 84 1HG GLU 84 -15.152 2.941 9.975 580 HG3 GLU 84 2HG GLU 84 -14.960 1.374 9.213 581 H GLU 85 H GLU 85 -10.575 0.554 11.046 582 HA GLU 85 HA GLU 85 -9.334 2.658 12.195 583 HB2 GLU 85 1HB GLU 85 -8.912 -0.083 12.033 584 HB3 GLU 85 2HB GLU 85 -7.463 0.550 11.278 585 HG2 GLU 85 1HG GLU 85 -8.048 2.139 13.634 586 HG3 GLU 85 2HG GLU 85 -8.093 0.444 14.077 587 H ALA 86 H ALA 86 -8.048 0.959 9.238 588 HA ALA 86 HA ALA 86 -6.094 2.671 8.554 589 HB1 ALA 86 1HB ALA 86 -6.042 1.253 6.814 590 HB2 ALA 86 2HB ALA 86 -7.620 0.605 7.323 591 HB3 ALA 86 3HB ALA 86 -7.543 1.955 6.165 592 H ASN 87 H ASN 87 -9.534 2.953 7.395 593 HA ASN 87 HA ASN 87 -9.274 5.265 6.047 594 HB2 ASN 87 1HB ASN 87 -11.367 3.717 6.502 595 HB3 ASN 87 2HB ASN 87 -11.675 4.779 7.861 596 HD21 ASN 87 1HD2 ASN 87 -12.299 4.215 4.680 597 HD22 ASN 87 2HD2 ASN 87 -12.818 5.782 4.155 598 H GLN 88 H GLN 88 -9.669 4.704 9.587 599 HA GLN 88 HA GLN 88 -10.074 7.389 10.247 600 HB2 GLN 88 1HB GLN 88 -9.971 4.871 11.590 601 HB3 GLN 88 2HB GLN 88 -8.813 5.906 12.402 602 HG2 GLN 88 1HG GLN 88 -10.598 6.764 13.526 603 HG3 GLN 88 2HG GLN 88 -10.960 7.635 12.049 604 HE21 GLN 88 1HE2 GLN 88 -12.433 6.744 10.535 605 HE22 GLN 88 2HE2 GLN 88 -13.676 5.640 11.021 606 H LEU 89 H LEU 89 -7.166 5.305 9.919 607 HA LEU 89 HA LEU 89 -5.308 6.935 11.123 608 HB2 LEU 89 1HB LEU 89 -4.885 5.259 8.648 609 HB3 LEU 89 2HB LEU 89 -3.669 5.766 9.802 610 HG LEU 89 HG LEU 89 -5.897 3.766 10.223 611 HD11 LEU 89 1HD1 LEU 89 -4.046 2.221 10.701 612 HD12 LEU 89 2HD1 LEU 89 -3.942 2.904 9.061 613 HD13 LEU 89 3HD1 LEU 89 -2.879 3.518 10.349 614 HD21 LEU 89 1HD2 LEU 89 -4.138 5.128 12.261 615 HD22 LEU 89 2HD2 LEU 89 -5.905 4.915 12.265 616 HD23 LEU 89 3HD2 LEU 89 -4.840 3.516 12.543 617 H LEU 90 H LEU 90 -6.437 6.941 7.675 618 HA LEU 90 HA LEU 90 -4.824 9.006 6.811 619 HB2 LEU 90 1HB LEU 90 -7.523 7.994 5.957 620 HB3 LEU 90 2HB LEU 90 -6.763 9.351 5.151 621 HG LEU 90 HG LEU 90 -5.831 6.484 5.275 622 HD11 LEU 90 1HD1 LEU 90 -7.138 6.564 3.426 623 HD12 LEU 90 2HD1 LEU 90 -6.923 8.317 3.206 624 HD13 LEU 90 3HD1 LEU 90 -5.640 7.192 2.697 625 HD21 LEU 90 1HD2 LEU 90 -3.751 7.343 5.538 626 HD22 LEU 90 2HD2 LEU 90 -3.901 7.589 3.781 627 HD23 LEU 90 3HD2 LEU 90 -4.203 8.942 4.898 628 H ARG 91 H ARG 91 -8.317 9.271 7.799 629 HA ARG 91 HA ARG 91 -8.615 11.880 7.724 630 HB2 ARG 91 1HB ARG 91 -9.547 9.880 9.818 631 HB3 ARG 91 2HB ARG 91 -10.034 11.559 9.931 632 HG2 ARG 91 1HG ARG 91 -10.415 10.695 7.196 633 HG3 ARG 91 2HG ARG 91 -11.138 9.498 8.251 634 HD2 ARG 91 1HD ARG 91 -12.839 10.900 8.854 635 HD3 ARG 91 2HD ARG 91 -11.743 12.233 9.159 636 HE ARG 91 HE ARG 91 -12.262 13.074 7.048 637 HH11 ARG 91 2HH2 ARG 91 -12.955 9.625 7.079 638 HH12 ARG 91 1HH2 ARG 91 -13.631 9.616 5.484 639 HH21 ARG 91 2HH1 ARG 91 -13.153 13.064 4.944 640 HH22 ARG 91 1HH1 ARG 91 -13.744 11.586 4.261 641 H ASP 92 H ASP 92 -7.242 10.094 10.585 642 HA ASP 92 HA ASP 92 -6.769 12.263 12.157 643 HB2 ASP 92 1HB ASP 92 -5.919 9.481 11.997 644 HB3 ASP 92 2HB ASP 92 -4.561 10.470 12.494 645 H SER 93 H SER 93 -4.476 10.540 9.898 646 HA SER 93 HA SER 93 -2.281 12.004 10.187 647 HB2 SER 93 1HB SER 93 -3.476 11.054 7.545 648 HB3 SER 93 2HB SER 93 -1.803 11.531 7.758 649 HG SER 93 HG SER 93 -3.168 9.216 8.723 650 H SER 94 H SER 94 -5.234 12.912 8.336 651 HA SER 94 HA SER 94 -4.405 15.023 6.942 652 HB2 SER 94 1HB SER 94 -6.637 15.618 6.792 653 HB3 SER 94 2HB SER 94 -6.814 13.999 7.439 654 HG SER 94 HG SER 94 -7.425 14.777 9.388 655 H ILE 95 H ILE 95 -4.669 14.748 10.468 656 HA ILE 95 HA ILE 95 -4.803 17.377 11.222 657 HB ILE 95 HB ILE 95 -3.584 14.913 12.398 658 HG12 ILE 95 1HG1 ILE 95 -5.724 16.710 13.540 659 HG13 ILE 95 2HG1 ILE 95 -6.096 15.505 12.324 660 HG21 ILE 95 1HG2 ILE 95 -2.019 16.370 13.280 661 HG22 ILE 95 2HG2 ILE 95 -3.164 17.731 13.350 662 HG23 ILE 95 3HG2 ILE 95 -3.299 16.395 14.518 663 HD11 ILE 95 1HD1 ILE 95 -4.412 14.306 14.367 664 HD12 ILE 95 2HD1 ILE 95 -5.813 15.101 15.125 665 HD13 ILE 95 3HD1 ILE 95 -6.063 13.858 13.876 666 H THR 96 H THR 96 -1.714 15.472 10.955 667 HA THR 96 HA THR 96 -0.179 17.880 10.883 668 HB THR 96 HB THR 96 0.542 15.668 11.894 669 HG1 THR 96 1HG THR 96 2.681 15.943 10.893 670 HG21 THR 96 1HG2 THR 96 1.218 14.809 9.064 671 HG22 THR 96 2HG2 THR 96 1.137 13.820 10.541 672 HG23 THR 96 3HG2 THR 96 -0.362 14.365 9.751 673 H SER 97 H SER 97 -2.198 16.508 8.604 674 HA SER 97 HA SER 97 -2.475 16.846 6.478 675 HB2 SER 97 1HB SER 97 -0.561 19.037 7.157 676 HB3 SER 97 2HB SER 97 -0.689 18.652 5.452 677 HG SER 97 HG SER 97 -3.206 18.705 6.288 678 H LYS 98 H LYS 98 -0.440 14.892 7.602 679 HA LYS 98 HA LYS 98 0.773 14.248 5.049 680 HB2 LYS 98 1HB LYS 98 2.320 15.666 6.748 681 HB3 LYS 98 2HB LYS 98 2.631 14.056 7.365 682 HG2 LYS 98 1HG LYS 98 3.550 13.297 5.321 683 HG3 LYS 98 2HG LYS 98 2.728 14.522 4.375 684 HD2 LYS 98 1HD LYS 98 4.363 15.956 6.217 685 HD3 LYS 98 2HD LYS 98 5.359 14.636 5.638 686 HE2 LYS 98 1HE LYS 98 4.917 15.277 3.289 687 HE3 LYS 98 2HE LYS 98 3.805 16.528 3.809 688 HZ1 LYS 98 1HZ LYS 98 5.773 17.413 5.097 689 HZ2 LYS 98 2HZ LYS 98 6.702 16.436 4.176 690 HZ3 LYS 98 3HZ LYS 98 5.802 17.604 3.475 691 H VAL 99 H VAL 99 0.821 12.047 4.687 692 HA VAL 99 HA VAL 99 0.144 10.369 6.999 693 HB VAL 99 HB VAL 99 -1.812 10.873 5.530 694 HG11 VAL 99 1HG1 VAL 99 0.076 10.110 3.468 695 HG12 VAL 99 2HG1 VAL 99 -1.385 9.095 3.393 696 HG13 VAL 99 3HG1 VAL 99 -1.528 10.868 3.316 697 HG21 VAL 99 1HG2 VAL 99 -1.567 8.005 5.064 698 HG22 VAL 99 2HG2 VAL 99 -1.005 8.468 6.688 699 HG23 VAL 99 3HG2 VAL 99 -2.650 8.896 6.160 700 H THR 100 H THR 100 1.001 8.203 6.926 701 HA THR 100 HA THR 100 3.089 7.847 4.880 702 HB THR 100 HB THR 100 3.197 7.768 7.899 703 HG1 THR 100 1HG THR 100 4.694 9.263 7.252 704 HG21 THR 100 1HG2 THR 100 4.131 5.637 7.762 705 HG22 THR 100 2HG2 THR 100 4.493 5.802 6.027 706 HG23 THR 100 3HG2 THR 100 5.553 6.569 7.233 707 H LEU 101 H LEU 101 3.069 5.963 3.798 708 HA LEU 101 HA LEU 101 1.427 3.825 4.960 709 HB2 LEU 101 1HB LEU 101 1.537 4.565 2.035 710 HB3 LEU 101 2HB LEU 101 0.573 3.299 2.769 711 HG LEU 101 HG LEU 101 0.182 6.138 3.663 712 HD11 LEU 101 1HD1 LEU 101 0.192 6.140 1.164 713 HD12 LEU 101 2HD1 LEU 101 -1.158 4.980 1.207 714 HD13 LEU 101 3HD1 LEU 101 -1.362 6.609 1.894 715 HD21 LEU 101 1HD2 LEU 101 -2.162 5.329 3.937 716 HD22 LEU 101 2HD2 LEU 101 -1.612 3.707 3.455 717 HD23 LEU 101 3HD2 LEU 101 -0.969 4.462 4.933 718 H GLU 102 H GLU 102 2.600 2.030 5.338 719 HA GLU 102 HA GLU 102 5.191 1.877 4.098 720 HB2 GLU 102 1HB GLU 102 4.656 1.449 6.605 721 HB3 GLU 102 2HB GLU 102 4.015 -0.097 6.087 722 HG2 GLU 102 1HG GLU 102 6.095 -0.978 5.812 723 HG3 GLU 102 2HG GLU 102 6.631 0.394 4.862 724 H ILE 103 H ILE 103 5.208 1.038 2.045 725 HA ILE 103 HA ILE 103 3.384 -1.179 1.490 726 HB ILE 103 HB ILE 103 4.990 0.537 -0.406 727 HG12 ILE 103 1HG1 ILE 103 3.143 1.662 1.017 728 HG13 ILE 103 2HG1 ILE 103 3.162 1.921 -0.716 729 HG21 ILE 103 1HG2 ILE 103 4.583 -1.409 -1.586 730 HG22 ILE 103 2HG2 ILE 103 3.025 -1.703 -0.779 731 HG23 ILE 103 3HG2 ILE 103 3.165 -0.416 -2.000 732 HD11 ILE 103 1HD1 ILE 103 0.875 1.415 -0.031 733 HD12 ILE 103 2HD1 ILE 103 1.494 0.039 -0.976 734 HD13 ILE 103 3HD1 ILE 103 1.410 -0.067 0.799 735 H GLU 104 H GLU 104 4.350 -2.911 -0.041 736 HA GLU 104 HA GLU 104 7.160 -3.312 0.486 737 HB2 GLU 104 1HB GLU 104 6.389 -4.545 2.333 738 HB3 GLU 104 2HB GLU 104 4.932 -5.070 1.513 739 HG2 GLU 104 1HG GLU 104 6.023 -6.786 0.352 740 HG3 GLU 104 2HG GLU 104 7.567 -5.957 0.353 741 H PHE 105 H PHE 105 8.152 -3.962 -1.380 742 HA PHE 105 HA PHE 105 6.467 -5.355 -3.339 743 HB2 PHE 105 1HB PHE 105 7.962 -4.067 -5.016 744 HB3 PHE 105 2HB PHE 105 6.847 -3.064 -4.110 745 HD1 PHE 105 2HD PHE 105 7.789 -1.974 -1.939 746 HD2 PHE 105 1HD PHE 105 10.221 -3.526 -5.050 747 HE1 PHE 105 2HE PHE 105 9.704 -0.557 -1.148 748 HE2 PHE 105 1HE PHE 105 12.137 -2.110 -4.259 749 HZ PHE 105 HZ PHE 105 11.855 -0.642 -2.318 750 H ASP 106 H ASP 106 8.021 -6.356 -5.139 751 HA ASP 106 HA ASP 106 10.009 -7.817 -3.614 752 HB2 ASP 106 1HB ASP 106 9.099 -8.512 -6.422 753 HB3 ASP 106 2HB ASP 106 9.752 -9.582 -5.199 754 H VAL 107 H VAL 107 12.154 -8.223 -4.676 755 HA VAL 107 HA VAL 107 12.804 -6.101 -6.602 756 HB VAL 107 HB VAL 107 14.640 -7.493 -4.646 757 HG11 VAL 107 1HG1 VAL 107 16.252 -5.833 -5.198 758 HG12 VAL 107 2HG1 VAL 107 15.611 -6.440 -6.744 759 HG13 VAL 107 3HG1 VAL 107 15.060 -4.872 -6.106 760 HG21 VAL 107 1HG2 VAL 107 14.437 -4.948 -3.706 761 HG22 VAL 107 2HG2 VAL 107 12.777 -5.220 -4.286 762 HG23 VAL 107 3HG2 VAL 107 13.492 -6.324 -3.087 763 H ALA 108 H ALA 108 13.815 -6.646 -8.524 764 HA ALA 108 HA ALA 108 13.576 -9.350 -9.339 765 HB1 ALA 108 1HB ALA 108 13.717 -6.840 -10.544 766 HB2 ALA 108 2HB ALA 108 15.251 -7.614 -11.011 767 HB3 ALA 108 3HB ALA 108 13.703 -8.408 -11.387 768 H GLU 109 H GLU 109 15.033 -10.995 -9.219 769 HA GLU 109 HA GLU 109 17.757 -10.210 -8.527 770 HB2 GLU 109 1HB GLU 109 17.941 -12.232 -7.167 771 HB3 GLU 109 2HB GLU 109 16.551 -11.305 -6.638 772 HG2 GLU 109 1HG GLU 109 15.178 -13.058 -7.056 773 HG3 GLU 109 2HG GLU 109 15.671 -13.078 -8.738 774 H SER 110 H SER 110 19.390 -12.077 -9.094 775 HA SER 110 HA SER 110 19.137 -12.503 -11.845 776 HB2 SER 110 1HB SER 110 21.099 -13.338 -9.706 777 HB3 SER 110 2HB SER 110 21.207 -14.088 -11.286 778 HG SER 110 HG SER 110 21.665 -12.122 -12.247 779 H VAL 111 H VAL 111 17.522 -13.880 -12.573 780 HA VAL 111 HA VAL 111 17.524 -16.573 -11.398 781 HB VAL 111 HB VAL 111 15.568 -15.085 -10.779 782 HG11 VAL 111 1HG1 VAL 111 13.873 -14.601 -12.374 783 HG12 VAL 111 2HG1 VAL 111 15.407 -14.070 -13.103 784 HG13 VAL 111 3HG1 VAL 111 14.657 -15.599 -13.622 785 HG21 VAL 111 1HG2 VAL 111 14.219 -16.918 -10.594 786 HG22 VAL 111 2HG2 VAL 111 14.466 -17.412 -12.286 787 HG23 VAL 111 3HG2 VAL 111 15.723 -17.744 -11.070 788 H ILE 112 H ILE 112 16.584 -18.232 -12.989 789 HA ILE 112 HA ILE 112 18.024 -17.967 -15.419 790 HB ILE 112 HB ILE 112 16.105 -20.049 -14.377 791 HG12 ILE 112 1HG1 ILE 112 18.774 -20.990 -14.658 792 HG13 ILE 112 2HG1 ILE 112 18.861 -19.447 -13.833 793 HG21 ILE 112 1HG2 ILE 112 16.537 -21.419 -16.198 794 HG22 ILE 112 2HG2 ILE 112 16.341 -19.818 -16.949 795 HG23 ILE 112 3HG2 ILE 112 17.970 -20.488 -16.695 796 HD11 ILE 112 1HD1 ILE 112 18.451 -20.789 -11.997 797 HD12 ILE 112 2HD1 ILE 112 16.763 -20.493 -12.478 798 HD13 ILE 112 3HD1 ILE 112 17.572 -22.006 -12.952 799 HA PRO 113 HA PRO 113 14.904 -16.192 -17.828 800 HB2 PRO 113 1HB PRO 113 15.887 -16.702 -20.327 801 HB3 PRO 113 2HB PRO 113 16.444 -15.372 -19.330 802 HG2 PRO 113 1HG PRO 113 17.793 -17.935 -19.925 803 HG3 PRO 113 2HG PRO 113 18.484 -16.449 -19.304 804 HD2 PRO 113 1HD PRO 113 17.887 -18.822 -17.806 805 HD3 PRO 113 2HD PRO 113 18.469 -17.297 -17.167 806 H SER 114 H SER 114 15.943 -19.298 -19.166 807 HA SER 114 HA SER 114 14.803 -21.038 -19.787 808 HB2 SER 114 1HB SER 114 12.978 -19.833 -17.770 809 HB3 SER 114 2HB SER 114 12.191 -20.922 -18.895 810 HG SER 114 HG SER 114 14.294 -21.470 -17.020 811 H SER 115 H SER 115 14.761 -20.651 -22.030 812 HA SER 115 HA SER 115 12.219 -19.642 -22.987 813 HB2 SER 115 1HB SER 115 14.646 -18.169 -23.157 814 HB3 SER 115 2HB SER 115 14.373 -18.806 -24.767 815 HG SER 115 HG SER 115 13.308 -16.643 -23.956 816 H GLY 116 H GLY 116 11.773 -20.350 -25.273 817 HA2 GLY 116 1HA GLY 116 13.438 -22.650 -26.090 818 HA3 GLY 116 2HA GLY 116 11.695 -22.783 -25.963 819 H SER 117 H SER 117 13.416 -23.086 -28.372 820 HA SER 117 HA SER 117 11.820 -21.549 -30.097 821 HB2 SER 117 1HB SER 117 13.516 -20.152 -31.138 822 HB3 SER 117 2HB SER 117 13.488 -19.803 -29.421 823 HG SER 117 HG SER 117 15.524 -20.435 -29.265 824 H GLY 118 H GLY 118 11.450 -23.000 -31.731 825 HA2 GLY 118 1HA GLY 118 13.562 -24.239 -33.166 826 HA3 GLY 118 2HA GLY 118 12.828 -25.381 -32.057 827 HA PRO 119 HA PRO 119 9.473 -24.021 -35.134 828 HB2 PRO 119 1HB PRO 119 10.168 -22.465 -37.270 829 HB3 PRO 119 2HB PRO 119 9.483 -21.815 -35.794 830 HG2 PRO 119 1HG PRO 119 12.282 -21.717 -36.738 831 HG3 PRO 119 2HG PRO 119 11.502 -20.735 -35.514 832 HD2 PRO 119 1HD PRO 119 13.296 -22.928 -35.068 833 HD3 PRO 119 2HD PRO 119 12.425 -22.022 -33.847 834 H SER 120 H SER 120 8.630 -25.439 -36.591 835 HA SER 120 HA SER 120 10.535 -27.258 -37.594 836 HB2 SER 120 1HB SER 120 7.661 -27.123 -37.234 837 HB3 SER 120 2HB SER 120 8.002 -27.668 -38.864 838 HG SER 120 HG SER 120 8.593 -29.566 -38.084 839 H SER 121 H SER 121 8.006 -25.225 -39.262 840 HA SER 121 HA SER 121 9.819 -24.220 -41.115 841 HB2 SER 121 1HB SER 121 9.745 -26.587 -41.954 842 HB3 SER 121 2HB SER 121 8.016 -26.434 -42.192 843 HG SER 121 HG SER 121 9.965 -24.699 -43.448 844 H GLY 122 H GLY 122 8.841 -22.499 -42.283 845 HA2 GLY 122 1HA GLY 122 6.017 -22.319 -42.648 846 HA3 GLY 122 2HA GLY 122 6.545 -21.352 -41.286 Start of MODEL 12 1 H1 GLY 1 H GLY 1 11.615 -15.536 27.671 2 HA2 GLY 1 1HA GLY 1 11.556 -15.265 25.399 3 HA3 GLY 1 2HA GLY 1 12.384 -13.790 25.857 4 H SER 2 H SER 2 12.525 -16.328 23.735 5 HA SER 2 HA SER 2 15.026 -15.687 22.818 6 HB2 SER 2 1HB SER 2 15.465 -17.089 25.072 7 HB3 SER 2 2HB SER 2 15.224 -18.451 23.995 8 HG SER 2 HG SER 2 17.370 -18.094 23.747 9 H SER 3 H SER 3 14.443 -15.954 20.690 10 HA SER 3 HA SER 3 13.897 -18.564 19.769 11 HB2 SER 3 1HB SER 3 11.633 -17.021 20.528 12 HB3 SER 3 2HB SER 3 11.677 -16.951 18.778 13 HG SER 3 HG SER 3 11.189 -19.048 18.638 14 H GLY 4 H GLY 4 14.478 -18.724 17.573 15 HA2 GLY 4 1HA GLY 4 14.677 -16.264 16.002 16 HA3 GLY 4 2HA GLY 4 16.163 -17.130 16.337 17 H SER 5 H SER 5 15.761 -17.003 13.744 18 HA SER 5 HA SER 5 14.898 -19.682 13.101 19 HB2 SER 5 1HB SER 5 13.038 -17.849 12.686 20 HB3 SER 5 2HB SER 5 14.014 -17.417 11.296 21 HG SER 5 HG SER 5 12.942 -20.052 11.854 22 H SER 6 H SER 6 16.501 -20.631 11.893 23 HA SER 6 HA SER 6 17.838 -19.067 9.913 24 HB2 SER 6 1HB SER 6 19.025 -18.950 12.342 25 HB3 SER 6 2HB SER 6 19.715 -20.465 11.796 26 HG SER 6 HG SER 6 20.359 -19.282 9.792 27 H GLY 7 H GLY 7 17.741 -20.422 8.162 28 HA2 GLY 7 1HA GLY 7 18.724 -23.136 8.404 29 HA3 GLY 7 2HA GLY 7 17.010 -23.006 8.060 30 H ALA 8 H ALA 8 17.290 -23.949 5.943 31 HA ALA 8 HA ALA 8 18.802 -22.272 4.071 32 HB1 ALA 8 1HB ALA 8 17.701 -24.970 3.352 33 HB2 ALA 8 2HB ALA 8 19.215 -24.185 2.843 34 HB3 ALA 8 3HB ALA 8 19.084 -24.898 4.469 35 H GLY 9 H GLY 9 17.691 -22.451 1.726 36 HA2 GLY 9 1HA GLY 9 15.394 -22.705 0.787 37 HA3 GLY 9 2HA GLY 9 14.852 -21.729 2.137 38 H GLN 10 H GLN 10 16.109 -21.707 -1.078 39 HA GLN 10 HA GLN 10 17.013 -18.979 -0.868 40 HB2 GLN 10 1HB GLN 10 17.599 -19.292 -3.300 41 HB3 GLN 10 2HB GLN 10 18.379 -20.441 -2.231 42 HG2 GLN 10 1HG GLN 10 15.828 -21.550 -3.007 43 HG3 GLN 10 2HG GLN 10 16.626 -20.977 -4.459 44 HE21 GLN 10 1HE2 GLN 10 16.070 -23.687 -3.569 45 HE22 GLN 10 2HE2 GLN 10 17.579 -24.535 -3.495 46 H VAL 11 H VAL 11 15.868 -17.188 -1.584 47 HA VAL 11 HA VAL 11 13.722 -17.434 -3.424 48 HB VAL 11 HB VAL 11 12.701 -18.356 -1.354 49 HG11 VAL 11 1HG1 VAL 11 13.629 -15.732 -0.271 50 HG12 VAL 11 2HG1 VAL 11 12.057 -16.350 0.290 51 HG13 VAL 11 3HG1 VAL 11 13.528 -17.327 0.513 52 HG21 VAL 11 1HG2 VAL 11 11.534 -16.919 -3.223 53 HG22 VAL 11 2HG2 VAL 11 10.648 -17.368 -1.746 54 HG23 VAL 11 3HG2 VAL 11 11.341 -15.736 -1.908 55 H VAL 12 H VAL 12 12.556 -15.186 -3.572 56 HA VAL 12 HA VAL 12 14.667 -13.245 -3.663 57 HB VAL 12 HB VAL 12 12.938 -13.626 -5.433 58 HG11 VAL 12 1HG1 VAL 12 10.944 -13.945 -4.151 59 HG12 VAL 12 2HG1 VAL 12 11.131 -12.366 -3.349 60 HG13 VAL 12 3HG1 VAL 12 10.735 -12.443 -5.083 61 HG21 VAL 12 1HG2 VAL 12 12.728 -11.287 -6.015 62 HG22 VAL 12 2HG2 VAL 12 13.004 -10.800 -4.326 63 HG23 VAL 12 3HG2 VAL 12 14.317 -11.556 -5.260 64 H HIS 13 H HIS 13 14.311 -10.984 -2.787 65 HA HIS 13 HA HIS 13 13.119 -11.232 -0.127 66 HB2 HIS 13 1HB HIS 13 14.665 -9.476 0.566 67 HB3 HIS 13 2HB HIS 13 15.516 -10.859 -0.091 68 HD1 HIS 13 1HD HIS 13 16.812 -10.541 -2.332 69 HD2 HIS 13 2HD HIS 13 14.856 -7.091 -0.965 70 HE1 HIS 13 1HE HIS 13 17.727 -8.604 -3.718 71 H THR 14 H THR 14 12.238 -9.076 0.762 72 HA THR 14 HA THR 14 11.029 -7.507 -1.411 73 HB THR 14 HB THR 14 8.979 -7.543 0.295 74 HG1 THR 14 1HG THR 14 10.434 -10.052 0.738 75 HG21 THR 14 1HG2 THR 14 8.955 -8.652 -1.990 76 HG22 THR 14 2HG2 THR 14 9.704 -10.087 -1.250 77 HG23 THR 14 3HG2 THR 14 8.071 -9.580 -0.755 78 H GLU 15 H GLU 15 10.778 -5.314 -1.046 79 HA GLU 15 HA GLU 15 11.977 -4.429 1.464 80 HB2 GLU 15 1HB GLU 15 12.315 -3.435 -1.371 81 HB3 GLU 15 2HB GLU 15 12.513 -2.309 -0.043 82 HG2 GLU 15 1HG GLU 15 14.097 -4.153 0.980 83 HG3 GLU 15 2HG GLU 15 14.123 -4.813 -0.643 84 H THR 16 H THR 16 11.120 -2.411 2.384 85 HA THR 16 HA THR 16 8.332 -1.978 1.550 86 HB THR 16 HB THR 16 8.567 -0.893 4.064 87 HG1 THR 16 1HG THR 16 10.737 -1.536 4.382 88 HG21 THR 16 1HG2 THR 16 8.178 -3.827 3.289 89 HG22 THR 16 2HG2 THR 16 7.960 -3.230 4.951 90 HG23 THR 16 3HG2 THR 16 6.910 -2.629 3.645 91 H THR 17 H THR 17 7.467 0.198 1.577 92 HA THR 17 HA THR 17 9.509 2.290 1.415 93 HB THR 17 HB THR 17 9.028 1.282 -0.893 94 HG1 THR 17 1HG THR 17 8.134 3.991 -0.191 95 HG21 THR 17 1HG2 THR 17 6.834 2.307 -1.868 96 HG22 THR 17 2HG2 THR 17 6.667 0.821 -0.903 97 HG23 THR 17 3HG2 THR 17 6.280 2.400 -0.179 98 H GLU 18 H GLU 18 8.857 4.306 2.103 99 HA GLU 18 HA GLU 18 6.178 4.297 3.247 100 HB2 GLU 18 1HB GLU 18 8.812 5.274 4.185 101 HB3 GLU 18 2HB GLU 18 7.517 6.431 4.418 102 HG2 GLU 18 1HG GLU 18 6.413 5.108 5.961 103 HG3 GLU 18 2HG GLU 18 6.853 3.612 5.160 104 H VAL 19 H VAL 19 4.684 5.496 2.161 105 HA VAL 19 HA VAL 19 5.670 7.570 0.365 106 HB VAL 19 HB VAL 19 4.102 5.694 -0.325 107 HG11 VAL 19 1HG1 VAL 19 1.934 7.383 0.929 108 HG12 VAL 19 2HG1 VAL 19 1.826 5.739 0.254 109 HG13 VAL 19 3HG1 VAL 19 2.673 6.014 1.795 110 HG21 VAL 19 1HG2 VAL 19 3.396 8.605 -0.793 111 HG22 VAL 19 2HG2 VAL 19 4.427 7.552 -1.791 112 HG23 VAL 19 3HG2 VAL 19 2.674 7.258 -1.705 113 H VAL 20 H VAL 20 5.516 9.706 0.843 114 HA VAL 20 HA VAL 20 3.846 10.391 3.162 115 HB VAL 20 HB VAL 20 6.440 11.539 2.129 116 HG11 VAL 20 1HG1 VAL 20 6.290 13.353 3.597 117 HG12 VAL 20 2HG1 VAL 20 4.654 13.250 2.903 118 HG13 VAL 20 3HG1 VAL 20 4.970 12.613 4.535 119 HG21 VAL 20 1HG2 VAL 20 7.285 10.031 3.555 120 HG22 VAL 20 2HG2 VAL 20 6.644 11.061 4.857 121 HG23 VAL 20 3HG2 VAL 20 5.688 9.683 4.260 122 H LEU 21 H LEU 21 1.905 10.990 2.250 123 HA LEU 21 HA LEU 21 2.058 12.866 0.004 124 HB2 LEU 21 1HB LEU 21 -0.326 11.282 0.959 125 HB3 LEU 21 2HB LEU 21 -0.194 12.225 -0.512 126 HG LEU 21 HG LEU 21 1.669 9.910 -0.042 127 HD11 LEU 21 1HD1 LEU 21 -0.027 8.474 0.058 128 HD12 LEU 21 2HD1 LEU 21 -1.223 9.738 -0.315 129 HD13 LEU 21 3HD1 LEU 21 -0.372 8.900 -1.635 130 HD21 LEU 21 1HD2 LEU 21 1.710 11.727 -1.978 131 HD22 LEU 21 2HD2 LEU 21 2.121 10.021 -2.272 132 HD23 LEU 21 3HD2 LEU 21 0.502 10.631 -2.691 133 H THR 22 H THR 22 1.130 14.914 0.137 134 HA THR 22 HA THR 22 0.401 15.711 2.868 135 HB THR 22 HB THR 22 1.162 17.494 0.508 136 HG1 THR 22 1HG THR 22 2.747 16.172 2.599 137 HG21 THR 22 1HG2 THR 22 1.833 17.865 3.449 138 HG22 THR 22 2HG2 THR 22 1.724 19.097 2.169 139 HG23 THR 22 3HG2 THR 22 0.241 18.370 2.834 140 H ALA 23 H ALA 23 -1.730 15.531 3.239 141 HA ALA 23 HA ALA 23 -3.757 15.314 1.537 142 HB1 ALA 23 1HB ALA 23 -5.178 16.070 3.300 143 HB2 ALA 23 2HB ALA 23 -3.747 15.374 4.097 144 HB3 ALA 23 3HB ALA 23 -3.917 17.141 3.957 145 H ASP 24 H ASP 24 -4.282 16.394 -0.293 146 HA ASP 24 HA ASP 24 -3.289 18.868 -0.919 147 HB2 ASP 24 1HB ASP 24 -4.868 16.894 -2.150 148 HB3 ASP 24 2HB ASP 24 -5.919 18.296 -2.136 149 HA PRO 25 HA PRO 25 -6.147 21.598 0.981 150 HB2 PRO 25 1HB PRO 25 -6.226 23.718 -0.741 151 HB3 PRO 25 2HB PRO 25 -4.922 23.459 0.400 152 HG2 PRO 25 1HG PRO 25 -4.939 23.024 -2.524 153 HG3 PRO 25 2HG PRO 25 -3.567 23.183 -1.445 154 HD2 PRO 25 1HD PRO 25 -4.588 20.753 -2.578 155 HD3 PRO 25 2HD PRO 25 -3.290 20.901 -1.410 156 H VAL 26 H VAL 26 -6.975 19.844 -1.610 157 HA VAL 26 HA VAL 26 -9.702 20.940 -1.527 158 HB VAL 26 HB VAL 26 -8.176 19.660 -3.800 159 HG11 VAL 26 1HG1 VAL 26 -10.143 19.751 -5.136 160 HG12 VAL 26 2HG1 VAL 26 -10.606 18.951 -3.615 161 HG13 VAL 26 3HG1 VAL 26 -11.036 20.657 -3.890 162 HG21 VAL 26 1HG2 VAL 26 -8.083 21.732 -4.808 163 HG22 VAL 26 2HG2 VAL 26 -9.503 22.348 -3.929 164 HG23 VAL 26 3HG2 VAL 26 -7.938 22.193 -3.095 165 H THR 27 H THR 27 -7.892 17.908 -2.412 166 HA THR 27 HA THR 27 -10.086 16.382 -1.222 167 HB THR 27 HB THR 27 -8.767 14.488 -2.415 168 HG1 THR 27 1HG THR 27 -7.098 15.312 -3.791 169 HG21 THR 27 1HG2 THR 27 -9.513 16.789 -4.279 170 HG22 THR 27 2HG2 THR 27 -9.606 15.042 -4.609 171 HG23 THR 27 3HG2 THR 27 -10.749 15.795 -3.472 172 H GLY 28 H GLY 28 -6.627 15.461 -1.383 173 HA2 GLY 28 1HA GLY 28 -5.670 15.980 1.060 174 HA3 GLY 28 2HA GLY 28 -6.770 14.660 1.404 175 H PHE 29 H PHE 29 -6.204 12.538 0.885 176 HA PHE 29 HA PHE 29 -3.544 12.258 -0.309 177 HB2 PHE 29 1HB PHE 29 -5.274 10.338 1.362 178 HB3 PHE 29 2HB PHE 29 -3.594 10.075 0.938 179 HD1 PHE 29 2HD PHE 29 -2.131 12.356 1.602 180 HD2 PHE 29 1HD PHE 29 -5.573 10.854 3.577 181 HE1 PHE 29 2HE PHE 29 -1.417 13.503 3.717 182 HE2 PHE 29 1HE PHE 29 -4.859 12.001 5.693 183 HZ PHE 29 HZ PHE 29 -2.790 13.312 5.737 184 H GLY 30 H GLY 30 -6.949 11.693 -0.794 185 HA2 GLY 30 1HA GLY 30 -8.115 10.532 -2.331 186 HA3 GLY 30 2HA GLY 30 -6.785 10.913 -3.406 187 H ILE 31 H ILE 31 -7.720 8.585 -0.782 188 HA ILE 31 HA ILE 31 -6.675 6.442 -2.434 189 HB ILE 31 HB ILE 31 -5.799 6.569 0.429 190 HG12 ILE 31 1HG1 ILE 31 -4.272 7.733 -1.918 191 HG13 ILE 31 2HG1 ILE 31 -5.026 8.661 -0.637 192 HG21 ILE 31 1HG2 ILE 31 -5.741 4.446 -0.943 193 HG22 ILE 31 2HG2 ILE 31 -4.501 5.231 -1.950 194 HG23 ILE 31 3HG2 ILE 31 -4.196 4.951 -0.219 195 HD11 ILE 31 1HD1 ILE 31 -3.559 7.717 1.044 196 HD12 ILE 31 2HD1 ILE 31 -2.941 6.502 -0.101 197 HD13 ILE 31 3HD1 ILE 31 -2.536 8.221 -0.323 198 H GLN 32 H GLN 32 -7.898 4.590 -2.258 199 HA GLN 32 HA GLN 32 -9.942 4.697 -0.177 200 HB2 GLN 32 1HB GLN 32 -10.098 4.067 -3.104 201 HB3 GLN 32 2HB GLN 32 -11.108 3.105 -2.042 202 HG2 GLN 32 1HG GLN 32 -11.049 6.160 -2.047 203 HG3 GLN 32 2HG GLN 32 -12.236 5.199 -2.906 204 HE21 GLN 32 1HE2 GLN 32 -12.369 7.126 -0.618 205 HE22 GLN 32 2HE2 GLN 32 -13.245 6.318 0.638 206 H LEU 33 H LEU 33 -10.109 2.929 1.178 207 HA LEU 33 HA LEU 33 -8.304 0.705 0.564 208 HB2 LEU 33 1HB LEU 33 -9.414 1.792 3.147 209 HB3 LEU 33 2HB LEU 33 -8.621 0.233 3.039 210 HG LEU 33 HG LEU 33 -7.239 2.736 2.083 211 HD11 LEU 33 1HD1 LEU 33 -6.563 1.827 4.803 212 HD12 LEU 33 2HD1 LEU 33 -6.716 3.471 4.138 213 HD13 LEU 33 3HD1 LEU 33 -8.169 2.575 4.640 214 HD21 LEU 33 1HD2 LEU 33 -5.326 1.130 3.127 215 HD22 LEU 33 2HD2 LEU 33 -6.506 -0.086 2.580 216 HD23 LEU 33 3HD2 LEU 33 -5.844 1.095 1.424 217 H GLN 34 H GLN 34 -9.058 -1.506 1.063 218 HA GLN 34 HA GLN 34 -11.900 -1.675 0.471 219 HB2 GLN 34 1HB GLN 34 -11.377 -3.976 -0.339 220 HB3 GLN 34 2HB GLN 34 -10.464 -2.747 -1.191 221 HG2 GLN 34 1HG GLN 34 -8.541 -3.787 -0.605 222 HG3 GLN 34 2HG GLN 34 -8.886 -3.453 1.081 223 HE21 GLN 34 1HE2 GLN 34 -9.499 -5.703 -1.573 224 HE22 GLN 34 2HE2 GLN 34 -9.730 -7.131 -0.619 225 H GLY 35 H GLY 35 -13.323 -2.714 1.866 226 HA2 GLY 35 1HA GLY 35 -12.202 -4.274 4.083 227 HA3 GLY 35 2HA GLY 35 -13.154 -2.853 4.465 228 H SER 36 H SER 36 -14.593 -4.497 5.554 229 HA SER 36 HA SER 36 -16.235 -5.880 3.586 230 HB2 SER 36 1HB SER 36 -16.102 -6.358 6.595 231 HB3 SER 36 2HB SER 36 -16.948 -7.347 5.420 232 HG SER 36 HG SER 36 -14.646 -7.493 4.396 233 H VAL 37 H VAL 37 -18.658 -6.147 4.597 234 HA VAL 37 HA VAL 37 -19.450 -3.426 5.374 235 HB VAL 37 HB VAL 37 -21.585 -3.947 4.274 236 HG11 VAL 37 1HG1 VAL 37 -20.392 -2.764 2.752 237 HG12 VAL 37 2HG1 VAL 37 -18.978 -3.840 2.860 238 HG13 VAL 37 3HG1 VAL 37 -20.383 -4.312 1.873 239 HG21 VAL 37 1HG2 VAL 37 -20.898 -6.575 4.518 240 HG22 VAL 37 2HG2 VAL 37 -22.158 -5.959 3.422 241 HG23 VAL 37 3HG2 VAL 37 -20.520 -6.281 2.804 242 H PHE 38 H PHE 38 -19.546 -6.890 6.085 243 HA PHE 38 HA PHE 38 -21.500 -6.434 8.195 244 HB2 PHE 38 1HB PHE 38 -20.155 -8.795 6.796 245 HB3 PHE 38 2HB PHE 38 -20.952 -9.062 8.334 246 HD1 PHE 38 1HD PHE 38 -23.342 -7.405 8.152 247 HD2 PHE 38 2HD PHE 38 -21.474 -9.779 5.172 248 HE1 PHE 38 1HE PHE 38 -25.542 -7.651 6.968 249 HE2 PHE 38 2HE PHE 38 -23.674 -10.025 3.989 250 HZ PHE 38 HZ PHE 38 -25.682 -8.958 4.901 251 H ALA 39 H ALA 39 -18.047 -6.851 7.636 252 HA ALA 39 HA ALA 39 -16.343 -7.298 9.034 253 HB1 ALA 39 1HB ALA 39 -16.492 -4.946 9.290 254 HB2 ALA 39 2HB ALA 39 -17.938 -5.064 10.321 255 HB3 ALA 39 3HB ALA 39 -16.353 -5.571 10.951 256 H THR 40 H THR 40 -16.723 -9.488 9.641 257 HA THR 40 HA THR 40 -18.449 -10.071 11.855 258 HB THR 40 HB THR 40 -16.396 -11.705 10.272 259 HG1 THR 40 1HG THR 40 -18.169 -11.173 8.958 260 HG21 THR 40 1HG2 THR 40 -18.640 -12.560 12.178 261 HG22 THR 40 2HG2 THR 40 -17.740 -13.662 11.108 262 HG23 THR 40 3HG2 THR 40 -16.899 -12.826 12.435 263 H GLU 41 H GLU 41 -14.871 -10.506 11.403 264 HA GLU 41 HA GLU 41 -14.654 -9.780 14.217 265 HB2 GLU 41 1HB GLU 41 -14.392 -12.321 13.594 266 HB3 GLU 41 2HB GLU 41 -12.832 -11.847 12.953 267 HG2 GLU 41 1HG GLU 41 -11.980 -11.939 15.050 268 HG3 GLU 41 2HG GLU 41 -13.002 -10.587 15.496 269 H THR 42 H THR 42 -12.958 -10.181 11.040 270 HA THR 42 HA THR 42 -11.555 -7.678 11.580 271 HB THR 42 HB THR 42 -10.011 -9.422 12.389 272 HG1 THR 42 1HG THR 42 -8.659 -8.097 11.237 273 HG21 THR 42 1HG2 THR 42 -10.974 -10.828 9.950 274 HG22 THR 42 2HG2 THR 42 -9.202 -10.823 10.125 275 HG23 THR 42 3HG2 THR 42 -10.222 -11.500 11.417 276 H LEU 43 H LEU 43 -9.863 -8.745 9.110 277 HA LEU 43 HA LEU 43 -11.955 -8.162 7.135 278 HB2 LEU 43 1HB LEU 43 -10.770 -6.132 7.426 279 HB3 LEU 43 2HB LEU 43 -9.215 -6.941 7.411 280 HG LEU 43 HG LEU 43 -9.406 -7.420 5.050 281 HD11 LEU 43 1HD1 LEU 43 -12.111 -6.059 5.075 282 HD12 LEU 43 2HD1 LEU 43 -11.289 -6.819 3.690 283 HD13 LEU 43 3HD1 LEU 43 -11.866 -7.822 5.043 284 HD21 LEU 43 1HD2 LEU 43 -8.837 -5.349 4.336 285 HD22 LEU 43 2HD2 LEU 43 -10.280 -4.581 5.042 286 HD23 LEU 43 3HD2 LEU 43 -8.894 -4.996 6.080 287 H SER 44 H SER 44 -9.927 -10.445 8.384 288 HA SER 44 HA SER 44 -8.720 -12.105 7.572 289 HB2 SER 44 1HB SER 44 -11.242 -12.655 7.280 290 HB3 SER 44 2HB SER 44 -10.984 -12.404 5.565 291 HG SER 44 HG SER 44 -10.744 -14.676 6.455 292 H SER 45 H SER 45 -7.987 -9.556 6.326 293 HA SER 45 HA SER 45 -6.382 -10.499 4.308 294 HB2 SER 45 1HB SER 45 -7.366 -9.831 2.277 295 HB3 SER 45 2HB SER 45 -8.714 -10.539 3.145 296 HG SER 45 HG SER 45 -9.713 -8.665 2.959 297 HA PRO 46 HA PRO 46 -4.719 -6.568 5.154 298 HB2 PRO 46 1HB PRO 46 -3.018 -6.178 3.051 299 HB3 PRO 46 2HB PRO 46 -2.627 -7.193 4.424 300 HG2 PRO 46 1HG PRO 46 -3.406 -7.996 1.687 301 HG3 PRO 46 2HG PRO 46 -2.613 -8.948 2.927 302 HD2 PRO 46 1HD PRO 46 -5.371 -9.094 2.152 303 HD3 PRO 46 2HD PRO 46 -4.605 -9.961 3.468 304 HA PRO 47 HA PRO 47 -6.903 -3.494 3.209 305 HB2 PRO 47 1HB PRO 47 -5.610 -1.242 4.062 306 HB3 PRO 47 2HB PRO 47 -6.786 -2.100 5.038 307 HG2 PRO 47 1HG PRO 47 -3.841 -2.060 5.293 308 HG3 PRO 47 2HG PRO 47 -5.039 -2.544 6.477 309 HD2 PRO 47 1HD PRO 47 -3.389 -4.279 4.897 310 HD3 PRO 47 2HD PRO 47 -4.667 -4.761 5.995 311 H LEU 48 H LEU 48 -6.712 -3.913 1.034 312 HA LEU 48 HA LEU 48 -4.306 -2.861 -0.205 313 HB2 LEU 48 1HB LEU 48 -6.604 -4.266 -1.552 314 HB3 LEU 48 2HB LEU 48 -4.964 -4.060 -2.134 315 HG LEU 48 HG LEU 48 -5.505 -5.628 0.380 316 HD11 LEU 48 1HD1 LEU 48 -5.990 -6.477 -2.454 317 HD12 LEU 48 2HD1 LEU 48 -5.362 -7.654 -1.276 318 HD13 LEU 48 3HD1 LEU 48 -6.916 -6.838 -0.977 319 HD21 LEU 48 1HD2 LEU 48 -3.326 -5.941 -1.697 320 HD22 LEU 48 2HD2 LEU 48 -3.181 -4.918 -0.248 321 HD23 LEU 48 3HD2 LEU 48 -3.412 -6.675 -0.078 322 H ILE 49 H ILE 49 -4.428 -1.369 -2.047 323 HA ILE 49 HA ILE 49 -6.226 0.758 -1.467 324 HB ILE 49 HB ILE 49 -4.114 0.299 -3.565 325 HG12 ILE 49 1HG1 ILE 49 -4.262 1.958 -1.038 326 HG13 ILE 49 2HG1 ILE 49 -3.197 0.608 -1.376 327 HG21 ILE 49 1HG2 ILE 49 -4.830 3.055 -3.389 328 HG22 ILE 49 2HG2 ILE 49 -4.885 1.969 -4.798 329 HG23 ILE 49 3HG2 ILE 49 -6.301 2.112 -3.728 330 HD11 ILE 49 1HD1 ILE 49 -2.667 2.320 -3.510 331 HD12 ILE 49 2HD1 ILE 49 -2.937 3.443 -2.155 332 HD13 ILE 49 3HD1 ILE 49 -1.687 2.181 -2.030 333 H SER 50 H SER 50 -8.362 0.515 -1.918 334 HA SER 50 HA SER 50 -9.260 -1.160 -3.958 335 HB2 SER 50 1HB SER 50 -10.675 -0.680 -2.046 336 HB3 SER 50 2HB SER 50 -10.617 1.044 -2.355 337 HG SER 50 HG SER 50 -12.612 -0.056 -3.087 338 H TYR 51 H TYR 51 -9.133 2.463 -3.646 339 HA TYR 51 HA TYR 51 -8.763 2.639 -6.518 340 HB2 TYR 51 1HB TYR 51 -11.253 2.694 -6.073 341 HB3 TYR 51 2HB TYR 51 -11.014 3.929 -4.853 342 HD1 TYR 51 1HD TYR 51 -10.656 3.267 -8.509 343 HD2 TYR 51 2HD TYR 51 -11.029 6.219 -5.434 344 HE1 TYR 51 1HE TYR 51 -10.962 5.075 -10.270 345 HE2 TYR 51 2HE TYR 51 -11.334 8.016 -7.206 346 HH TYR 51 HH TYR 51 -12.246 7.527 -10.128 347 H ILE 52 H ILE 52 -8.062 4.824 -7.198 348 HA ILE 52 HA ILE 52 -6.973 6.333 -4.923 349 HB ILE 52 HB ILE 52 -5.698 5.798 -7.608 350 HG12 ILE 52 1HG1 ILE 52 -4.571 4.972 -4.945 351 HG13 ILE 52 2HG1 ILE 52 -5.785 3.977 -5.724 352 HG21 ILE 52 1HG2 ILE 52 -3.784 7.046 -6.769 353 HG22 ILE 52 2HG2 ILE 52 -5.238 8.071 -6.800 354 HG23 ILE 52 3HG2 ILE 52 -4.653 7.402 -5.258 355 HD11 ILE 52 1HD1 ILE 52 -2.953 4.455 -6.490 356 HD12 ILE 52 2HD1 ILE 52 -3.991 3.041 -6.793 357 HD13 ILE 52 3HD1 ILE 52 -4.103 4.470 -7.848 358 H GLU 53 H GLU 53 -8.120 8.179 -4.716 359 HA GLU 53 HA GLU 53 -9.823 9.181 -6.561 360 HB2 GLU 53 1HB GLU 53 -9.008 9.868 -4.002 361 HB3 GLU 53 2HB GLU 53 -8.474 11.257 -4.927 362 HG2 GLU 53 1HG GLU 53 -11.027 10.776 -5.966 363 HG3 GLU 53 2HG GLU 53 -11.223 10.383 -4.269 364 H ALA 54 H ALA 54 -9.741 11.087 -7.994 365 HA ALA 54 HA ALA 54 -7.174 11.213 -9.343 366 HB1 ALA 54 1HB ALA 54 -10.038 11.854 -9.985 367 HB2 ALA 54 2HB ALA 54 -8.756 12.691 -10.893 368 HB3 ALA 54 3HB ALA 54 -8.846 10.913 -10.914 369 H ASP 55 H ASP 55 -6.420 13.432 -10.119 370 HA ASP 55 HA ASP 55 -5.625 15.389 -9.632 371 HB2 ASP 55 1HB ASP 55 -8.217 15.845 -9.775 372 HB3 ASP 55 2HB ASP 55 -8.128 16.036 -8.035 373 H SER 56 H SER 56 -5.599 13.053 -7.568 374 HA SER 56 HA SER 56 -5.263 14.621 -5.147 375 HB2 SER 56 1HB SER 56 -5.705 12.689 -3.925 376 HB3 SER 56 2HB SER 56 -6.671 12.393 -5.357 377 HG SER 56 HG SER 56 -5.533 10.609 -5.622 378 HA PRO 57 HA PRO 57 -0.954 14.010 -5.213 379 HB2 PRO 57 1HB PRO 57 -0.278 13.654 -2.590 380 HB3 PRO 57 2HB PRO 57 -0.626 15.224 -3.285 381 HG2 PRO 57 1HG PRO 57 -2.311 13.569 -1.506 382 HG3 PRO 57 2HG PRO 57 -2.440 15.280 -1.862 383 HD2 PRO 57 1HD PRO 57 -4.088 13.179 -2.911 384 HD3 PRO 57 2HD PRO 57 -4.142 14.874 -3.353 385 H ALA 58 H ALA 58 -2.918 11.481 -4.164 386 HA ALA 58 HA ALA 58 -0.796 9.603 -3.806 387 HB1 ALA 58 1HB ALA 58 -2.923 8.035 -4.065 388 HB2 ALA 58 2HB ALA 58 -2.694 9.027 -2.605 389 HB3 ALA 58 3HB ALA 58 -3.802 9.572 -3.886 390 H GLU 59 H GLU 59 -2.761 10.844 -6.487 391 HA GLU 59 HA GLU 59 -1.836 8.699 -8.182 392 HB2 GLU 59 1HB GLU 59 -4.228 9.613 -8.224 393 HB3 GLU 59 2HB GLU 59 -3.583 11.076 -8.941 394 HG2 GLU 59 1HG GLU 59 -4.285 9.714 -10.787 395 HG3 GLU 59 2HG GLU 59 -2.536 9.606 -10.764 396 H ARG 60 H ARG 60 -0.978 11.921 -7.215 397 HA ARG 60 HA ARG 60 0.232 12.679 -9.637 398 HB2 ARG 60 1HB ARG 60 0.236 13.688 -6.787 399 HB3 ARG 60 2HB ARG 60 1.480 14.287 -7.867 400 HG2 ARG 60 1HG ARG 60 -0.873 14.449 -9.408 401 HG3 ARG 60 2HG ARG 60 -1.397 14.917 -7.803 402 HD2 ARG 60 1HD ARG 60 0.839 16.403 -7.862 403 HD3 ARG 60 2HD ARG 60 0.641 16.247 -9.596 404 HE ARG 60 HE ARG 60 -1.815 17.034 -8.187 405 HH11 ARG 60 2HH2 ARG 60 1.109 18.168 -9.783 406 HH12 ARG 60 1HH2 ARG 60 0.468 19.741 -10.120 407 HH21 ARG 60 2HH1 ARG 60 -2.661 19.110 -8.631 408 HH22 ARG 60 1HH1 ARG 60 -1.691 20.281 -9.460 409 H CYS 61 H CYS 61 1.445 11.415 -6.453 410 HA CYS 61 HA CYS 61 4.134 11.413 -7.134 411 HB2 CYS 61 1HB CYS 61 4.437 9.906 -5.238 412 HB3 CYS 61 2HB CYS 61 3.330 11.201 -4.826 413 HG CYS 61 HG CYS 61 1.217 9.590 -5.809 414 H GLY 62 H GLY 62 1.446 9.098 -7.683 415 HA2 GLY 62 1HA GLY 62 1.269 7.293 -9.010 416 HA3 GLY 62 2HA GLY 62 2.634 7.910 -9.919 417 H VAL 63 H VAL 63 2.593 6.996 -6.427 418 HA VAL 63 HA VAL 63 4.598 4.955 -7.086 419 HB VAL 63 HB VAL 63 5.374 5.262 -4.781 420 HG11 VAL 63 1HG1 VAL 63 6.713 6.552 -6.099 421 HG12 VAL 63 2HG1 VAL 63 5.351 7.472 -6.780 422 HG13 VAL 63 3HG1 VAL 63 5.959 7.857 -5.152 423 HG21 VAL 63 1HG2 VAL 63 4.069 6.202 -3.238 424 HG22 VAL 63 2HG2 VAL 63 4.200 7.758 -4.092 425 HG23 VAL 63 3HG2 VAL 63 2.873 6.638 -4.482 426 H LEU 64 H LEU 64 1.403 5.616 -5.825 427 HA LEU 64 HA LEU 64 1.277 2.978 -4.588 428 HB2 LEU 64 1HB LEU 64 -0.837 5.128 -4.639 429 HB3 LEU 64 2HB LEU 64 -0.776 3.708 -3.614 430 HG LEU 64 HG LEU 64 1.580 5.440 -3.328 431 HD11 LEU 64 1HD1 LEU 64 -1.111 6.631 -3.249 432 HD12 LEU 64 2HD1 LEU 64 -0.127 6.921 -1.795 433 HD13 LEU 64 3HD1 LEU 64 0.489 7.397 -3.396 434 HD21 LEU 64 1HD2 LEU 64 1.615 4.180 -1.499 435 HD22 LEU 64 2HD2 LEU 64 0.259 5.155 -0.883 436 HD23 LEU 64 3HD2 LEU 64 -0.060 3.637 -1.758 437 H GLN 65 H GLN 65 0.064 1.287 -5.409 438 HA GLN 65 HA GLN 65 -1.119 1.846 -8.017 439 HB2 GLN 65 1HB GLN 65 0.409 -0.545 -6.959 440 HB3 GLN 65 2HB GLN 65 -0.720 -0.750 -8.283 441 HG2 GLN 65 1HG GLN 65 0.637 1.458 -9.173 442 HG3 GLN 65 2HG GLN 65 1.901 0.697 -8.227 443 HE21 GLN 65 1HE2 GLN 65 -0.283 0.389 -10.930 444 HE22 GLN 65 2HE2 GLN 65 0.491 -0.940 -11.727 445 H ILE 66 H ILE 66 -3.102 0.651 -8.576 446 HA ILE 66 HA ILE 66 -4.892 0.551 -6.402 447 HB ILE 66 HB ILE 66 -5.098 -0.276 -9.293 448 HG12 ILE 66 1HG1 ILE 66 -4.797 2.186 -8.535 449 HG13 ILE 66 2HG1 ILE 66 -6.039 1.793 -9.707 450 HG21 ILE 66 1HG2 ILE 66 -6.913 -1.447 -8.756 451 HG22 ILE 66 2HG2 ILE 66 -6.889 -0.864 -7.074 452 HG23 ILE 66 3HG2 ILE 66 -7.680 0.105 -8.342 453 HD11 ILE 66 1HD1 ILE 66 -7.760 2.264 -8.254 454 HD12 ILE 66 2HD1 ILE 66 -6.885 1.616 -6.846 455 HD13 ILE 66 3HD1 ILE 66 -6.514 3.249 -7.451 456 H GLY 67 H GLY 67 -4.971 -0.991 -4.866 457 HA2 GLY 67 1HA GLY 67 -5.372 -3.137 -4.129 458 HA3 GLY 67 2HA GLY 67 -4.909 -3.784 -5.691 459 H ASP 68 H ASP 68 -2.906 -1.347 -4.032 460 HA ASP 68 HA ASP 68 -0.624 -2.846 -4.271 461 HB2 ASP 68 1HB ASP 68 -1.253 -0.274 -3.500 462 HB3 ASP 68 2HB ASP 68 -0.755 -0.953 -1.963 463 H ARG 69 H ARG 69 0.573 -2.590 -1.591 464 HA ARG 69 HA ARG 69 -1.123 -4.270 0.034 465 HB2 ARG 69 1HB ARG 69 1.173 -5.590 0.503 466 HB3 ARG 69 2HB ARG 69 0.107 -6.061 -0.805 467 HG2 ARG 69 1HG ARG 69 2.319 -4.020 -1.244 468 HG3 ARG 69 2HG ARG 69 2.646 -5.739 -1.337 469 HD2 ARG 69 1HD ARG 69 0.421 -5.616 -2.930 470 HD3 ARG 69 2HD ARG 69 1.057 -4.005 -3.195 471 HE ARG 69 HE ARG 69 2.326 -6.548 -3.990 472 HH11 ARG 69 2HH2 ARG 69 2.722 -3.080 -3.543 473 HH12 ARG 69 1HH2 ARG 69 4.100 -2.973 -4.587 474 HH21 ARG 69 2HH1 ARG 69 4.144 -6.408 -5.367 475 HH22 ARG 69 1HH1 ARG 69 4.914 -4.879 -5.632 476 H VAL 70 H VAL 70 -1.322 -2.634 1.622 477 HA VAL 70 HA VAL 70 1.051 -1.260 2.517 478 HB VAL 70 HB VAL 70 -1.202 -0.207 2.197 479 HG11 VAL 70 1HG1 VAL 70 -3.042 -0.778 3.385 480 HG12 VAL 70 2HG1 VAL 70 -2.199 -2.336 3.565 481 HG13 VAL 70 3HG1 VAL 70 -2.113 -1.122 4.864 482 HG21 VAL 70 1HG2 VAL 70 -0.897 0.525 4.934 483 HG22 VAL 70 2HG2 VAL 70 0.721 0.158 4.288 484 HG23 VAL 70 3HG2 VAL 70 -0.303 1.373 3.486 485 H MET 71 H MET 71 2.407 -2.074 4.021 486 HA MET 71 HA MET 71 1.503 -4.331 5.546 487 HB2 MET 71 1HB MET 71 4.208 -2.900 5.667 488 HB3 MET 71 2HB MET 71 3.876 -4.557 6.129 489 HG2 MET 71 1HG MET 71 3.525 -3.516 3.278 490 HG3 MET 71 2HG MET 71 4.998 -4.275 3.849 491 HE1 MET 71 1HE MET 71 4.204 -7.819 4.579 492 HE2 MET 71 2HE MET 71 5.045 -6.348 5.126 493 HE3 MET 71 3HE MET 71 3.492 -6.810 5.861 494 H ALA 72 H ALA 72 1.768 -0.887 5.906 495 HA ALA 72 HA ALA 72 0.744 -1.011 8.545 496 HB1 ALA 72 1HB ALA 72 3.015 -1.465 9.203 497 HB2 ALA 72 2HB ALA 72 3.642 -0.185 8.138 498 HB3 ALA 72 3HB ALA 72 2.690 0.244 9.580 499 H ILE 73 H ILE 73 0.555 1.343 9.432 500 HA ILE 73 HA ILE 73 0.556 3.274 7.246 501 HB ILE 73 HB ILE 73 -1.856 2.574 8.922 502 HG12 ILE 73 1HG1 ILE 73 -1.307 2.309 5.952 503 HG13 ILE 73 2HG1 ILE 73 -1.496 1.000 7.102 504 HG21 ILE 73 1HG2 ILE 73 -2.760 4.559 8.483 505 HG22 ILE 73 2HG2 ILE 73 -1.135 5.093 7.993 506 HG23 ILE 73 3HG2 ILE 73 -2.278 4.487 6.771 507 HD11 ILE 73 1HD1 ILE 73 -3.702 1.028 6.562 508 HD12 ILE 73 2HD1 ILE 73 -3.806 2.531 7.510 509 HD13 ILE 73 3HD1 ILE 73 -3.556 2.605 5.749 510 H ASN 74 H ASN 74 2.141 4.575 8.099 511 HA ASN 74 HA ASN 74 2.922 6.187 9.340 512 HB2 ASN 74 1HB ASN 74 0.173 6.144 10.176 513 HB3 ASN 74 2HB ASN 74 1.126 6.257 11.642 514 HD21 ASN 74 1HD2 ASN 74 -0.101 7.865 8.927 515 HD22 ASN 74 2HD2 ASN 74 0.669 9.404 9.123 516 H GLY 75 H GLY 75 2.923 3.073 9.924 517 HA2 GLY 75 1HA GLY 75 4.637 2.101 11.251 518 HA3 GLY 75 2HA GLY 75 4.333 3.287 12.505 519 H ILE 76 H ILE 76 1.263 2.781 11.667 520 HA ILE 76 HA ILE 76 0.794 0.987 13.820 521 HB ILE 76 HB ILE 76 -1.008 2.266 11.766 522 HG12 ILE 76 1HG1 ILE 76 -0.125 2.977 14.548 523 HG13 ILE 76 2HG1 ILE 76 -0.199 3.981 13.113 524 HG21 ILE 76 1HG2 ILE 76 -1.802 0.029 12.777 525 HG22 ILE 76 2HG2 ILE 76 -1.976 0.946 14.293 526 HG23 ILE 76 3HG2 ILE 76 -2.894 1.433 12.848 527 HD11 ILE 76 1HD1 ILE 76 -2.685 3.915 13.172 528 HD12 ILE 76 2HD1 ILE 76 -2.618 2.878 14.618 529 HD13 ILE 76 3HD1 ILE 76 -2.020 4.553 14.695 530 HA PRO 77 HA PRO 77 0.868 -2.707 11.575 531 HB2 PRO 77 1HB PRO 77 -0.382 -4.362 13.353 532 HB3 PRO 77 2HB PRO 77 1.311 -3.927 13.477 533 HG2 PRO 77 1HG PRO 77 -0.973 -2.960 15.085 534 HG3 PRO 77 2HG PRO 77 0.739 -2.877 15.449 535 HD2 PRO 77 1HD PRO 77 -0.925 -0.731 14.524 536 HD3 PRO 77 2HD PRO 77 0.809 -0.679 14.777 537 H THR 78 H THR 78 -0.171 -3.053 9.725 538 HA THR 78 HA THR 78 -3.020 -2.572 9.730 539 HB THR 78 HB THR 78 -2.585 -3.179 7.223 540 HG1 THR 78 1HG THR 78 -0.589 -4.309 7.555 541 HG21 THR 78 1HG2 THR 78 -1.260 -0.881 8.710 542 HG22 THR 78 2HG2 THR 78 -0.986 -1.086 6.963 543 HG23 THR 78 3HG2 THR 78 -2.635 -0.828 7.580 544 H GLU 79 H GLU 79 -3.374 -4.328 11.395 545 HA GLU 79 HA GLU 79 -4.511 -6.486 10.099 546 HB2 GLU 79 1HB GLU 79 -2.194 -7.283 9.791 547 HB3 GLU 79 2HB GLU 79 -1.885 -7.135 11.509 548 HG2 GLU 79 1HG GLU 79 -3.716 -8.811 11.955 549 HG3 GLU 79 2HG GLU 79 -3.945 -8.993 10.227 550 H ASP 80 H ASP 80 -2.961 -5.229 13.095 551 HA ASP 80 HA ASP 80 -4.422 -6.750 14.872 552 HB2 ASP 80 1HB ASP 80 -2.456 -4.794 15.017 553 HB3 ASP 80 2HB ASP 80 -3.833 -3.951 15.698 554 H SER 81 H SER 81 -4.910 -3.378 13.581 555 HA SER 81 HA SER 81 -7.411 -3.136 14.898 556 HB2 SER 81 1HB SER 81 -6.391 -1.382 12.634 557 HB3 SER 81 2HB SER 81 -7.504 -0.942 13.913 558 HG SER 81 HG SER 81 -5.282 -0.154 14.229 559 H THR 82 H THR 82 -8.935 -1.813 12.803 560 HA THR 82 HA THR 82 -9.384 -4.038 10.928 561 HB THR 82 HB THR 82 -11.736 -3.927 11.377 562 HG1 THR 82 1HG THR 82 -10.949 -1.479 12.797 563 HG21 THR 82 1HG2 THR 82 -10.617 -3.152 14.108 564 HG22 THR 82 2HG2 THR 82 -11.990 -4.227 13.750 565 HG23 THR 82 3HG2 THR 82 -10.328 -4.764 13.410 566 H PHE 83 H PHE 83 -10.871 -3.271 9.054 567 HA PHE 83 HA PHE 83 -9.481 -1.387 7.626 568 HB2 PHE 83 1HB PHE 83 -10.937 -2.865 6.436 569 HB3 PHE 83 2HB PHE 83 -12.237 -2.663 7.594 570 HD1 PHE 83 2HD PHE 83 -13.671 -0.642 7.504 571 HD2 PHE 83 1HD PHE 83 -10.732 -1.418 4.542 572 HE1 PHE 83 2HE PHE 83 -14.777 1.012 5.974 573 HE2 PHE 83 1HE PHE 83 -11.838 0.236 3.012 574 HZ PHE 83 HZ PHE 83 -13.847 1.432 3.746 575 H GLU 84 H GLU 84 -12.053 -0.965 10.024 576 HA GLU 84 HA GLU 84 -12.839 1.581 9.174 577 HB2 GLU 84 1HB GLU 84 -13.238 -0.138 11.588 578 HB3 GLU 84 2HB GLU 84 -13.477 1.581 11.829 579 HG2 GLU 84 1HG GLU 84 -14.871 1.319 9.522 580 HG3 GLU 84 2HG GLU 84 -15.026 -0.330 10.095 581 H GLU 85 H GLU 85 -10.241 0.342 11.284 582 HA GLU 85 HA GLU 85 -9.646 2.853 12.406 583 HB2 GLU 85 1HB GLU 85 -8.708 0.115 12.620 584 HB3 GLU 85 2HB GLU 85 -7.327 1.183 12.469 585 HG2 GLU 85 1HG GLU 85 -9.176 2.456 14.263 586 HG3 GLU 85 2HG GLU 85 -9.055 0.780 14.760 587 H ALA 86 H ALA 86 -7.950 0.807 9.915 588 HA ALA 86 HA ALA 86 -5.942 2.460 9.222 589 HB1 ALA 86 1HB ALA 86 -7.212 0.183 8.179 590 HB2 ALA 86 2HB ALA 86 -7.234 1.362 6.846 591 HB3 ALA 86 3HB ALA 86 -5.691 0.910 7.609 592 H ASN 87 H ASN 87 -9.310 2.561 7.858 593 HA ASN 87 HA ASN 87 -8.955 4.640 6.171 594 HB2 ASN 87 1HB ASN 87 -11.064 3.233 6.523 595 HB3 ASN 87 2HB ASN 87 -11.420 4.204 7.937 596 HD21 ASN 87 1HD2 ASN 87 -12.512 3.779 5.065 597 HD22 ASN 87 2HD2 ASN 87 -12.870 5.378 4.505 598 H GLN 88 H GLN 88 -9.814 4.653 9.699 599 HA GLN 88 HA GLN 88 -10.165 7.377 9.938 600 HB2 GLN 88 1HB GLN 88 -10.179 5.105 11.635 601 HB3 GLN 88 2HB GLN 88 -9.007 6.196 12.347 602 HG2 GLN 88 1HG GLN 88 -11.343 6.592 13.185 603 HG3 GLN 88 2HG GLN 88 -10.639 8.012 12.439 604 HE21 GLN 88 1HE2 GLN 88 -12.097 5.053 11.101 605 HE22 GLN 88 2HE2 GLN 88 -13.323 5.821 10.148 606 H LEU 89 H LEU 89 -7.221 5.323 10.119 607 HA LEU 89 HA LEU 89 -5.450 7.120 11.178 608 HB2 LEU 89 1HB LEU 89 -4.917 5.134 8.965 609 HB3 LEU 89 2HB LEU 89 -3.727 5.843 10.038 610 HG LEU 89 HG LEU 89 -5.893 3.851 10.720 611 HD11 LEU 89 1HD1 LEU 89 -2.901 3.713 11.160 612 HD12 LEU 89 2HD1 LEU 89 -4.096 2.408 11.354 613 HD13 LEU 89 3HD1 LEU 89 -3.735 3.051 9.734 614 HD21 LEU 89 1HD2 LEU 89 -4.889 4.020 13.083 615 HD22 LEU 89 2HD2 LEU 89 -4.296 5.617 12.565 616 HD23 LEU 89 3HD2 LEU 89 -6.042 5.273 12.563 617 H LEU 90 H LEU 90 -6.698 6.858 7.814 618 HA LEU 90 HA LEU 90 -4.963 8.776 6.732 619 HB2 LEU 90 1HB LEU 90 -7.702 7.838 5.873 620 HB3 LEU 90 2HB LEU 90 -6.662 8.871 4.913 621 HG LEU 90 HG LEU 90 -6.364 5.962 5.579 622 HD11 LEU 90 1HD1 LEU 90 -5.489 6.430 3.000 623 HD12 LEU 90 2HD1 LEU 90 -7.114 5.886 3.481 624 HD13 LEU 90 3HD1 LEU 90 -6.799 7.617 3.211 625 HD21 LEU 90 1HD2 LEU 90 -4.010 6.119 4.631 626 HD22 LEU 90 2HD2 LEU 90 -4.101 7.865 4.963 627 HD23 LEU 90 3HD2 LEU 90 -4.243 6.697 6.298 628 H ARG 91 H ARG 91 -8.363 9.019 7.979 629 HA ARG 91 HA ARG 91 -8.593 11.716 7.523 630 HB2 ARG 91 1HB ARG 91 -9.876 10.016 9.722 631 HB3 ARG 91 2HB ARG 91 -10.436 11.607 9.248 632 HG2 ARG 91 1HG ARG 91 -10.479 10.499 6.803 633 HG3 ARG 91 2HG ARG 91 -10.585 9.008 7.717 634 HD2 ARG 91 1HD ARG 91 -12.765 9.390 8.256 635 HD3 ARG 91 2HD ARG 91 -12.412 11.008 8.829 636 HE ARG 91 HE ARG 91 -13.602 10.364 6.317 637 HH11 ARG 91 2HH2 ARG 91 -11.121 12.485 7.632 638 HH12 ARG 91 1HH2 ARG 91 -11.316 13.688 6.401 639 HH21 ARG 91 2HH1 ARG 91 -13.859 11.951 4.692 640 HH22 ARG 91 1HH1 ARG 91 -12.884 13.382 4.718 641 H ASP 92 H ASP 92 -7.174 9.858 10.238 642 HA ASP 92 HA ASP 92 -6.943 12.128 11.910 643 HB2 ASP 92 1HB ASP 92 -6.900 9.463 12.372 644 HB3 ASP 92 2HB ASP 92 -5.171 9.712 12.234 645 H SER 93 H SER 93 -5.173 10.690 9.248 646 HA SER 93 HA SER 93 -2.669 11.843 10.026 647 HB2 SER 93 1HB SER 93 -3.621 10.250 7.620 648 HB3 SER 93 2HB SER 93 -2.031 10.987 7.645 649 HG SER 93 HG SER 93 -3.075 8.887 9.301 650 H SER 94 H SER 94 -5.562 12.870 8.503 651 HA SER 94 HA SER 94 -4.370 14.600 6.606 652 HB2 SER 94 1HB SER 94 -7.175 14.281 7.726 653 HB3 SER 94 2HB SER 94 -6.788 15.589 6.626 654 HG SER 94 HG SER 94 -7.058 12.833 6.124 655 H ILE 95 H ILE 95 -5.007 14.666 10.038 656 HA ILE 95 HA ILE 95 -5.462 17.356 10.475 657 HB ILE 95 HB ILE 95 -4.286 15.113 12.061 658 HG12 ILE 95 1HG1 ILE 95 -6.663 16.878 12.670 659 HG13 ILE 95 2HG1 ILE 95 -6.782 15.485 11.613 660 HG21 ILE 95 1HG2 ILE 95 -2.943 16.701 13.028 661 HG22 ILE 95 2HG2 ILE 95 -4.084 18.029 12.706 662 HG23 ILE 95 3HG2 ILE 95 -4.415 16.869 14.015 663 HD11 ILE 95 1HD1 ILE 95 -7.383 14.780 13.863 664 HD12 ILE 95 2HD1 ILE 95 -5.804 14.060 13.470 665 HD13 ILE 95 3HD1 ILE 95 -5.892 15.486 14.531 666 H THR 96 H THR 96 -2.271 15.620 10.709 667 HA THR 96 HA THR 96 -0.835 18.076 10.708 668 HB THR 96 HB THR 96 -0.061 15.983 11.831 669 HG1 THR 96 1HG THR 96 1.487 16.749 9.457 670 HG21 THR 96 1HG2 THR 96 -0.856 14.315 10.126 671 HG22 THR 96 2HG2 THR 96 0.312 14.980 8.959 672 HG23 THR 96 3HG2 THR 96 0.891 14.160 10.430 673 H SER 97 H SER 97 -2.534 16.511 8.257 674 HA SER 97 HA SER 97 -2.654 16.882 6.118 675 HB2 SER 97 1HB SER 97 -1.098 19.174 7.030 676 HB3 SER 97 2HB SER 97 -0.580 18.700 5.424 677 HG SER 97 HG SER 97 -2.476 20.261 5.658 678 H LYS 98 H LYS 98 -0.819 14.888 7.368 679 HA LYS 98 HA LYS 98 0.702 14.296 4.976 680 HB2 LYS 98 1HB LYS 98 2.007 15.590 7.029 681 HB3 LYS 98 2HB LYS 98 2.313 13.907 7.409 682 HG2 LYS 98 1HG LYS 98 3.335 13.489 5.274 683 HG3 LYS 98 2HG LYS 98 2.693 14.966 4.583 684 HD2 LYS 98 1HD LYS 98 4.113 16.055 6.629 685 HD3 LYS 98 2HD LYS 98 5.046 14.588 6.412 686 HE2 LYS 98 1HE LYS 98 5.842 15.229 4.339 687 HE3 LYS 98 2HE LYS 98 4.341 16.009 3.882 688 HZ1 LYS 98 1HZ LYS 98 4.978 17.933 4.824 689 HZ2 LYS 98 2HZ LYS 98 5.840 17.236 6.024 690 HZ3 LYS 98 3HZ LYS 98 6.476 17.355 4.524 691 H VAL 99 H VAL 99 1.111 12.040 4.726 692 HA VAL 99 HA VAL 99 0.061 10.328 6.838 693 HB VAL 99 HB VAL 99 -1.815 10.837 5.340 694 HG11 VAL 99 1HG1 VAL 99 -1.822 10.097 3.015 695 HG12 VAL 99 2HG1 VAL 99 -0.509 11.268 3.285 696 HG13 VAL 99 3HG1 VAL 99 -0.141 9.531 3.168 697 HG21 VAL 99 1HG2 VAL 99 -2.501 8.794 5.907 698 HG22 VAL 99 2HG2 VAL 99 -1.665 8.132 4.482 699 HG23 VAL 99 3HG2 VAL 99 -0.815 8.239 6.043 700 H THR 100 H THR 100 1.112 8.332 6.964 701 HA THR 100 HA THR 100 3.199 7.903 4.929 702 HB THR 100 HB THR 100 3.293 7.602 7.975 703 HG1 THR 100 1HG THR 100 4.647 9.150 5.879 704 HG21 THR 100 1HG2 THR 100 5.835 7.236 7.297 705 HG22 THR 100 2HG2 THR 100 4.727 5.842 7.283 706 HG23 THR 100 3HG2 THR 100 5.147 6.662 5.759 707 H LEU 101 H LEU 101 2.704 6.199 3.707 708 HA LEU 101 HA LEU 101 1.332 3.981 5.057 709 HB2 LEU 101 1HB LEU 101 1.312 4.648 2.114 710 HB3 LEU 101 2HB LEU 101 0.380 3.406 2.926 711 HG LEU 101 HG LEU 101 -1.068 5.243 2.422 712 HD11 LEU 101 1HD1 LEU 101 -0.379 5.084 5.363 713 HD12 LEU 101 2HD1 LEU 101 -1.809 5.932 4.726 714 HD13 LEU 101 3HD1 LEU 101 -1.628 4.179 4.474 715 HD21 LEU 101 1HD2 LEU 101 -0.510 7.401 2.466 716 HD22 LEU 101 2HD2 LEU 101 0.126 7.294 4.125 717 HD23 LEU 101 3HD2 LEU 101 1.159 6.848 2.745 718 H GLU 102 H GLU 102 2.346 2.029 5.172 719 HA GLU 102 HA GLU 102 4.960 1.936 3.924 720 HB2 GLU 102 1HB GLU 102 4.469 1.487 6.461 721 HB3 GLU 102 2HB GLU 102 3.893 -0.078 5.925 722 HG2 GLU 102 1HG GLU 102 6.010 -0.852 5.632 723 HG3 GLU 102 2HG GLU 102 6.450 0.532 4.651 724 H ILE 103 H ILE 103 4.966 1.044 1.901 725 HA ILE 103 HA ILE 103 3.106 -1.170 1.421 726 HB ILE 103 HB ILE 103 4.528 0.663 -0.513 727 HG12 ILE 103 1HG1 ILE 103 2.622 1.585 0.967 728 HG13 ILE 103 2HG1 ILE 103 2.561 1.864 -0.762 729 HG21 ILE 103 1HG2 ILE 103 2.758 -1.736 -0.902 730 HG22 ILE 103 2HG2 ILE 103 2.788 -0.422 -2.102 731 HG23 ILE 103 3HG2 ILE 103 4.283 -1.306 -1.712 732 HD11 ILE 103 1HD1 ILE 103 1.024 -0.062 -1.048 733 HD12 ILE 103 2HD1 ILE 103 1.111 -0.392 0.699 734 HD13 ILE 103 3HD1 ILE 103 0.360 1.112 0.114 735 H GLU 104 H GLU 104 3.952 -2.972 0.020 736 HA GLU 104 HA GLU 104 6.816 -3.305 0.413 737 HB2 GLU 104 1HB GLU 104 5.997 -4.659 2.159 738 HB3 GLU 104 2HB GLU 104 4.580 -5.155 1.255 739 HG2 GLU 104 1HG GLU 104 5.915 -6.584 -0.207 740 HG3 GLU 104 2HG GLU 104 7.412 -5.946 0.442 741 H PHE 105 H PHE 105 7.908 -4.202 -1.343 742 HA PHE 105 HA PHE 105 6.224 -5.258 -3.495 743 HB2 PHE 105 1HB PHE 105 8.007 -4.014 -4.979 744 HB3 PHE 105 2HB PHE 105 6.786 -3.020 -4.208 745 HD1 PHE 105 1HD PHE 105 7.448 -2.070 -1.844 746 HD2 PHE 105 2HD PHE 105 10.235 -3.438 -4.736 747 HE1 PHE 105 1HE PHE 105 9.249 -0.703 -0.755 748 HE2 PHE 105 2HE PHE 105 12.037 -2.071 -3.647 749 HZ PHE 105 HZ PHE 105 11.522 -0.720 -1.670 750 H ASP 106 H ASP 106 7.952 -6.122 -5.317 751 HA ASP 106 HA ASP 106 9.624 -7.925 -3.774 752 HB2 ASP 106 1HB ASP 106 9.672 -9.178 -6.055 753 HB3 ASP 106 2HB ASP 106 8.178 -9.203 -5.139 754 H VAL 107 H VAL 107 11.874 -8.256 -4.461 755 HA VAL 107 HA VAL 107 12.866 -6.079 -6.164 756 HB VAL 107 HB VAL 107 14.341 -7.647 -4.043 757 HG11 VAL 107 1HG1 VAL 107 15.060 -5.001 -5.341 758 HG12 VAL 107 2HG1 VAL 107 16.059 -5.983 -4.242 759 HG13 VAL 107 3HG1 VAL 107 15.689 -6.577 -5.879 760 HG21 VAL 107 1HG2 VAL 107 14.108 -5.165 -2.985 761 HG22 VAL 107 2HG2 VAL 107 12.554 -5.286 -3.845 762 HG23 VAL 107 3HG2 VAL 107 12.992 -6.504 -2.623 763 H ALA 108 H ALA 108 14.372 -6.558 -7.820 764 HA ALA 108 HA ALA 108 14.154 -9.273 -8.781 765 HB1 ALA 108 1HB ALA 108 15.863 -7.481 -10.321 766 HB2 ALA 108 2HB ALA 108 14.335 -8.267 -10.786 767 HB3 ALA 108 3HB ALA 108 14.308 -6.710 -9.925 768 H GLU 109 H GLU 109 15.670 -10.837 -8.502 769 HA GLU 109 HA GLU 109 18.139 -9.991 -7.249 770 HB2 GLU 109 1HB GLU 109 16.612 -12.594 -7.397 771 HB3 GLU 109 2HB GLU 109 18.326 -12.634 -7.036 772 HG2 GLU 109 1HG GLU 109 16.812 -10.594 -5.487 773 HG3 GLU 109 2HG GLU 109 16.318 -12.244 -5.164 774 H SER 110 H SER 110 20.201 -11.176 -7.943 775 HA SER 110 HA SER 110 20.609 -10.724 -10.635 776 HB2 SER 110 1HB SER 110 22.162 -12.068 -8.428 777 HB3 SER 110 2HB SER 110 22.734 -12.262 -10.073 778 HG SER 110 HG SER 110 23.330 -10.256 -8.548 779 H VAL 111 H VAL 111 19.468 -11.877 -12.181 780 HA VAL 111 HA VAL 111 19.715 -14.797 -12.026 781 HB VAL 111 HB VAL 111 17.293 -13.087 -12.461 782 HG11 VAL 111 1HG1 VAL 111 16.163 -15.207 -13.338 783 HG12 VAL 111 2HG1 VAL 111 17.225 -14.336 -14.469 784 HG13 VAL 111 3HG1 VAL 111 17.803 -15.816 -13.666 785 HG21 VAL 111 1HG2 VAL 111 17.746 -15.686 -10.956 786 HG22 VAL 111 2HG2 VAL 111 17.725 -14.058 -10.238 787 HG23 VAL 111 3HG2 VAL 111 16.248 -14.725 -10.974 788 H ILE 112 H ILE 112 19.825 -15.870 -14.108 789 HA ILE 112 HA ILE 112 21.359 -14.450 -15.964 790 HB ILE 112 HB ILE 112 21.067 -16.478 -17.359 791 HG12 ILE 112 1HG1 ILE 112 19.851 -18.247 -15.526 792 HG13 ILE 112 2HG1 ILE 112 18.781 -16.863 -15.628 793 HG21 ILE 112 1HG2 ILE 112 22.118 -18.044 -15.671 794 HG22 ILE 112 2HG2 ILE 112 22.899 -16.456 -15.861 795 HG23 ILE 112 3HG2 ILE 112 21.854 -16.771 -14.455 796 HD11 ILE 112 1HD1 ILE 112 18.152 -18.435 -17.375 797 HD12 ILE 112 2HD1 ILE 112 18.903 -17.023 -18.156 798 HD13 ILE 112 3HD1 ILE 112 19.831 -18.528 -17.959 799 HA PRO 113 HA PRO 113 18.368 -12.638 -18.491 800 HB2 PRO 113 1HB PRO 113 19.651 -12.508 -20.901 801 HB3 PRO 113 2HB PRO 113 19.946 -11.377 -19.595 802 HG2 PRO 113 1HG PRO 113 21.637 -13.616 -20.524 803 HG3 PRO 113 2HG PRO 113 22.084 -12.240 -19.535 804 HD2 PRO 113 1HD PRO 113 21.619 -14.923 -18.633 805 HD3 PRO 113 2HD PRO 113 21.952 -13.524 -17.632 806 H SER 114 H SER 114 16.728 -12.865 -20.099 807 HA SER 114 HA SER 114 16.794 -15.452 -21.377 808 HB2 SER 114 1HB SER 114 14.496 -16.004 -20.615 809 HB3 SER 114 2HB SER 114 15.616 -15.904 -19.272 810 HG SER 114 HG SER 114 13.952 -13.686 -20.097 811 H SER 115 H SER 115 17.223 -13.781 -23.142 812 HA SER 115 HA SER 115 15.377 -11.854 -23.795 813 HB2 SER 115 1HB SER 115 16.411 -11.966 -26.083 814 HB3 SER 115 2HB SER 115 17.590 -11.869 -24.790 815 HG SER 115 HG SER 115 17.118 -13.924 -26.628 816 H GLY 116 H GLY 116 13.999 -11.884 -25.910 817 HA2 GLY 116 1HA GLY 116 13.047 -13.874 -27.344 818 HA3 GLY 116 2HA GLY 116 12.308 -14.267 -25.805 819 H SER 117 H SER 117 10.965 -13.451 -28.313 820 HA SER 117 HA SER 117 9.315 -11.456 -27.143 821 HB2 SER 117 1HB SER 117 11.316 -10.723 -29.178 822 HB3 SER 117 2HB SER 117 9.688 -10.306 -29.674 823 HG SER 117 HG SER 117 9.414 -9.050 -27.786 824 H GLY 118 H GLY 118 7.299 -11.116 -28.504 825 HA2 GLY 118 1HA GLY 118 6.770 -13.545 -30.094 826 HA3 GLY 118 2HA GLY 118 5.585 -12.609 -29.204 827 HA PRO 119 HA PRO 119 6.066 -11.088 -33.597 828 HB2 PRO 119 1HB PRO 119 4.278 -12.611 -34.995 829 HB3 PRO 119 2HB PRO 119 6.001 -12.931 -34.976 830 HG2 PRO 119 1HG PRO 119 3.833 -14.373 -33.576 831 HG3 PRO 119 2HG PRO 119 5.467 -14.908 -33.916 832 HD2 PRO 119 1HD PRO 119 4.453 -13.981 -31.397 833 HD3 PRO 119 2HD PRO 119 6.113 -14.407 -31.767 834 H SER 120 H SER 120 3.026 -12.353 -32.319 835 HA SER 120 HA SER 120 1.295 -10.673 -33.382 836 HB2 SER 120 1HB SER 120 0.002 -10.802 -31.224 837 HB3 SER 120 2HB SER 120 0.597 -12.352 -31.783 838 HG SER 120 HG SER 120 1.482 -10.761 -29.575 839 H SER 121 H SER 121 0.705 -8.489 -33.278 840 HA SER 121 HA SER 121 2.405 -6.874 -31.543 841 HB2 SER 121 1HB SER 121 2.121 -5.053 -33.191 842 HB3 SER 121 2HB SER 121 2.811 -6.478 -33.942 843 HG SER 121 HG SER 121 -0.031 -5.970 -33.973 844 H GLY 122 H GLY 122 1.404 -5.533 -30.043 845 HA2 GLY 122 1HA GLY 122 -0.309 -4.154 -29.281 846 HA3 GLY 122 2HA GLY 122 -1.437 -4.912 -30.387 Start of MODEL 13 1 H1 GLY 1 H GLY 1 12.549 -26.837 16.544 2 HA2 GLY 1 1HA GLY 1 12.284 -24.627 14.593 3 HA3 GLY 1 2HA GLY 1 12.596 -24.400 16.303 4 H SER 2 H SER 2 14.165 -23.843 13.656 5 HA SER 2 HA SER 2 16.676 -24.612 14.793 6 HB2 SER 2 1HB SER 2 15.554 -26.218 12.745 7 HB3 SER 2 2HB SER 2 16.755 -25.232 11.936 8 HG SER 2 HG SER 2 18.322 -25.936 13.560 9 H SER 3 H SER 3 15.133 -23.386 11.726 10 HA SER 3 HA SER 3 15.635 -21.697 10.437 11 HB2 SER 3 1HB SER 3 15.685 -19.477 11.550 12 HB3 SER 3 2HB SER 3 14.442 -20.511 12.225 13 HG SER 3 HG SER 3 15.667 -20.854 14.077 14 H GLY 4 H GLY 4 17.622 -22.563 9.535 15 HA2 GLY 4 1HA GLY 4 19.772 -21.021 9.306 16 HA3 GLY 4 2HA GLY 4 20.133 -21.830 10.818 17 H SER 5 H SER 5 19.774 -22.187 7.317 18 HA SER 5 HA SER 5 21.041 -24.786 7.584 19 HB2 SER 5 1HB SER 5 19.633 -25.744 5.831 20 HB3 SER 5 2HB SER 5 18.617 -25.153 7.130 21 HG SER 5 HG SER 5 17.596 -24.082 5.582 22 H SER 6 H SER 6 22.891 -24.882 6.348 23 HA SER 6 HA SER 6 23.236 -22.739 4.429 24 HB2 SER 6 1HB SER 6 25.150 -24.566 5.914 25 HB3 SER 6 2HB SER 6 25.689 -23.663 4.512 26 HG SER 6 HG SER 6 24.278 -22.037 6.256 27 H GLY 7 H GLY 7 22.562 -23.299 2.381 28 HA2 GLY 7 1HA GLY 7 23.790 -25.519 1.054 29 HA3 GLY 7 2HA GLY 7 22.097 -25.814 1.400 30 H ALA 8 H ALA 8 21.085 -25.585 -0.575 31 HA ALA 8 HA ALA 8 21.699 -23.138 -2.078 32 HB1 ALA 8 1HB ALA 8 20.202 -25.502 -3.200 33 HB2 ALA 8 2HB ALA 8 21.240 -24.320 -4.033 34 HB3 ALA 8 3HB ALA 8 21.971 -25.587 -3.019 35 H GLY 9 H GLY 9 19.580 -22.548 -3.497 36 HA2 GLY 9 1HA GLY 9 17.062 -22.839 -3.093 37 HA3 GLY 9 2HA GLY 9 17.441 -22.210 -1.501 38 H GLN 10 H GLN 10 16.972 -21.456 -4.895 39 HA GLN 10 HA GLN 10 17.925 -18.763 -4.525 40 HB2 GLN 10 1HB GLN 10 17.373 -18.518 -6.954 41 HB3 GLN 10 2HB GLN 10 18.473 -19.844 -6.638 42 HG2 GLN 10 1HG GLN 10 15.857 -20.952 -6.406 43 HG3 GLN 10 2HG GLN 10 15.804 -19.917 -7.819 44 HE21 GLN 10 1HE2 GLN 10 16.205 -20.939 -9.611 45 HE22 GLN 10 2HE2 GLN 10 17.331 -22.231 -9.864 46 H VAL 11 H VAL 11 16.613 -16.944 -4.308 47 HA VAL 11 HA VAL 11 13.856 -17.008 -4.958 48 HB VAL 11 HB VAL 11 13.880 -18.377 -2.888 49 HG11 VAL 11 1HG1 VAL 11 14.130 -16.792 -0.757 50 HG12 VAL 11 2HG1 VAL 11 15.514 -17.671 -1.448 51 HG13 VAL 11 3HG1 VAL 11 15.270 -15.951 -1.834 52 HG21 VAL 11 1HG2 VAL 11 12.493 -15.803 -2.202 53 HG22 VAL 11 2HG2 VAL 11 12.022 -16.687 -3.673 54 HG23 VAL 11 3HG2 VAL 11 11.908 -17.480 -2.084 55 H VAL 12 H VAL 12 12.798 -14.868 -4.087 56 HA VAL 12 HA VAL 12 14.893 -12.811 -4.209 57 HB VAL 12 HB VAL 12 13.024 -13.222 -6.049 58 HG11 VAL 12 1HG1 VAL 12 11.109 -11.688 -5.707 59 HG12 VAL 12 2HG1 VAL 12 11.115 -13.039 -4.548 60 HG13 VAL 12 3HG1 VAL 12 11.643 -11.420 -4.031 61 HG21 VAL 12 1HG2 VAL 12 14.207 -10.660 -5.004 62 HG22 VAL 12 2HG2 VAL 12 14.581 -11.560 -6.494 63 HG23 VAL 12 3HG2 VAL 12 13.071 -10.625 -6.375 64 H HIS 13 H HIS 13 14.265 -10.717 -3.070 65 HA HIS 13 HA HIS 13 12.821 -11.416 -0.618 66 HB2 HIS 13 1HB HIS 13 14.266 -9.864 0.565 67 HB3 HIS 13 2HB HIS 13 15.208 -11.104 -0.237 68 HD1 HIS 13 1HD HIS 13 16.781 -10.375 -2.177 69 HD2 HIS 13 2HD HIS 13 14.587 -7.232 -0.472 70 HE1 HIS 13 1HE HIS 13 17.824 -8.217 -3.053 71 H THR 14 H THR 14 11.833 -9.417 0.497 72 HA THR 14 HA THR 14 10.886 -7.516 -1.542 73 HB THR 14 HB THR 14 8.689 -7.738 -0.025 74 HG1 THR 14 1HG THR 14 9.417 -9.259 1.487 75 HG21 THR 14 1HG2 THR 14 7.816 -9.485 -1.488 76 HG22 THR 14 2HG2 THR 14 8.912 -8.485 -2.471 77 HG23 THR 14 3HG2 THR 14 9.458 -10.065 -1.858 78 H GLU 15 H GLU 15 10.733 -5.386 -0.945 79 HA GLU 15 HA GLU 15 11.627 -4.872 1.786 80 HB2 GLU 15 1HB GLU 15 12.631 -3.926 -0.792 81 HB3 GLU 15 2HB GLU 15 12.167 -2.574 0.221 82 HG2 GLU 15 1HG GLU 15 13.868 -4.849 1.313 83 HG3 GLU 15 2HG GLU 15 14.594 -3.502 0.458 84 H THR 16 H THR 16 10.928 -2.587 2.581 85 HA THR 16 HA THR 16 8.178 -2.103 1.637 86 HB THR 16 HB THR 16 8.261 -1.141 4.213 87 HG1 THR 16 1HG THR 16 9.673 -2.606 5.349 88 HG21 THR 16 1HG2 THR 16 7.922 -4.098 3.483 89 HG22 THR 16 2HG2 THR 16 7.299 -3.303 4.949 90 HG23 THR 16 3HG2 THR 16 6.637 -2.872 3.353 91 H THR 17 H THR 17 7.433 0.037 1.440 92 HA THR 17 HA THR 17 9.557 2.067 1.590 93 HB THR 17 HB THR 17 9.259 1.281 -0.767 94 HG1 THR 17 1HG THR 17 8.843 3.480 -1.487 95 HG21 THR 17 1HG2 THR 17 6.947 0.554 -0.877 96 HG22 THR 17 2HG2 THR 17 6.366 2.099 -0.210 97 HG23 THR 17 3HG2 THR 17 7.040 2.037 -1.856 98 H GLU 18 H GLU 18 8.873 4.215 2.036 99 HA GLU 18 HA GLU 18 6.202 4.236 3.209 100 HB2 GLU 18 1HB GLU 18 7.734 4.510 5.000 101 HB3 GLU 18 2HB GLU 18 8.803 5.533 4.061 102 HG2 GLU 18 1HG GLU 18 6.050 6.618 4.331 103 HG3 GLU 18 2HG GLU 18 6.890 6.443 5.859 104 H VAL 19 H VAL 19 4.729 5.578 2.257 105 HA VAL 19 HA VAL 19 5.768 7.522 0.343 106 HB VAL 19 HB VAL 19 4.092 5.743 -0.279 107 HG11 VAL 19 1HG1 VAL 19 1.869 5.819 0.436 108 HG12 VAL 19 2HG1 VAL 19 2.786 6.133 1.929 109 HG13 VAL 19 3HG1 VAL 19 2.020 7.481 1.056 110 HG21 VAL 19 1HG2 VAL 19 2.767 8.361 -0.803 111 HG22 VAL 19 2HG2 VAL 19 4.473 8.202 -1.285 112 HG23 VAL 19 3HG2 VAL 19 3.257 7.074 -1.931 113 H VAL 20 H VAL 20 5.056 9.735 0.370 114 HA VAL 20 HA VAL 20 3.876 10.539 2.937 115 HB VAL 20 HB VAL 20 6.374 10.868 2.748 116 HG11 VAL 20 1HG1 VAL 20 6.014 11.672 0.249 117 HG12 VAL 20 2HG1 VAL 20 5.837 13.263 1.028 118 HG13 VAL 20 3HG1 VAL 20 7.333 12.325 1.249 119 HG21 VAL 20 1HG2 VAL 20 4.430 13.109 3.287 120 HG22 VAL 20 2HG2 VAL 20 5.338 12.101 4.439 121 HG23 VAL 20 3HG2 VAL 20 6.182 13.348 3.490 122 H LEU 21 H LEU 21 1.801 10.994 2.281 123 HA LEU 21 HA LEU 21 1.531 12.643 -0.125 124 HB2 LEU 21 1HB LEU 21 -0.579 11.065 1.349 125 HB3 LEU 21 2HB LEU 21 -0.771 11.910 -0.174 126 HG LEU 21 HG LEU 21 1.134 9.589 0.222 127 HD11 LEU 21 1HD1 LEU 21 -0.900 8.637 -1.355 128 HD12 LEU 21 2HD1 LEU 21 -0.697 8.315 0.384 129 HD13 LEU 21 3HD1 LEU 21 -1.776 9.623 -0.159 130 HD21 LEU 21 1HD2 LEU 21 1.857 10.817 -1.641 131 HD22 LEU 21 2HD2 LEU 21 0.875 9.498 -2.321 132 HD23 LEU 21 3HD2 LEU 21 0.195 11.138 -2.191 133 H THR 22 H THR 22 0.782 14.724 -0.009 134 HA THR 22 HA THR 22 0.288 15.726 2.704 135 HB THR 22 HB THR 22 0.809 17.383 0.205 136 HG1 THR 22 1HG THR 22 2.608 16.026 0.208 137 HG21 THR 22 1HG2 THR 22 1.923 18.873 1.807 138 HG22 THR 22 2HG2 THR 22 0.300 18.503 2.439 139 HG23 THR 22 3HG2 THR 22 1.727 17.678 3.111 140 H ALA 23 H ALA 23 -1.786 15.747 3.306 141 HA ALA 23 HA ALA 23 -3.968 15.427 1.771 142 HB1 ALA 23 1HB ALA 23 -5.218 16.452 3.597 143 HB2 ALA 23 2HB ALA 23 -3.860 15.516 4.268 144 HB3 ALA 23 3HB ALA 23 -3.756 17.290 4.170 145 H ASP 24 H ASP 24 -4.158 16.407 -0.226 146 HA ASP 24 HA ASP 24 -3.342 18.916 -0.851 147 HB2 ASP 24 1HB ASP 24 -4.891 16.829 -2.048 148 HB3 ASP 24 2HB ASP 24 -5.826 18.298 -2.244 149 HA PRO 25 HA PRO 25 -6.504 21.575 0.637 150 HB2 PRO 25 1HB PRO 25 -7.021 23.327 -1.396 151 HB3 PRO 25 2HB PRO 25 -5.615 23.452 -0.358 152 HG2 PRO 25 1HG PRO 25 -5.776 22.508 -3.154 153 HG3 PRO 25 2HG PRO 25 -4.369 23.038 -2.254 154 HD2 PRO 25 1HD PRO 25 -5.094 20.332 -2.867 155 HD3 PRO 25 2HD PRO 25 -3.753 20.857 -1.869 156 H VAL 26 H VAL 26 -7.234 19.607 -1.993 157 HA VAL 26 HA VAL 26 -10.072 19.919 -1.321 158 HB VAL 26 HB VAL 26 -8.734 19.883 -4.012 159 HG11 VAL 26 1HG1 VAL 26 -11.668 19.269 -3.530 160 HG12 VAL 26 2HG1 VAL 26 -10.831 19.367 -5.097 161 HG13 VAL 26 3HG1 VAL 26 -10.437 18.057 -3.958 162 HG21 VAL 26 1HG2 VAL 26 -10.072 21.820 -4.449 163 HG22 VAL 26 2HG2 VAL 26 -11.041 21.559 -2.979 164 HG23 VAL 26 3HG2 VAL 26 -9.331 22.038 -2.845 165 H THR 27 H THR 27 -7.719 17.841 -3.164 166 HA THR 27 HA THR 27 -9.173 15.504 -2.156 167 HB THR 27 HB THR 27 -7.773 14.374 -3.985 168 HG1 THR 27 1HG THR 27 -6.814 16.105 -5.428 169 HG21 THR 27 1HG2 THR 27 -8.922 16.568 -5.560 170 HG22 THR 27 2HG2 THR 27 -9.434 14.865 -5.480 171 HG23 THR 27 3HG2 THR 27 -10.054 16.037 -4.293 172 H GLY 28 H GLY 28 -8.243 16.148 0.044 173 HA2 GLY 28 1HA GLY 28 -5.880 16.287 1.043 174 HA3 GLY 28 2HA GLY 28 -6.955 15.033 1.629 175 H PHE 29 H PHE 29 -6.724 12.823 0.850 176 HA PHE 29 HA PHE 29 -4.085 12.372 -0.356 177 HB2 PHE 29 1HB PHE 29 -5.790 10.511 1.395 178 HB3 PHE 29 2HB PHE 29 -4.097 10.297 0.996 179 HD1 PHE 29 2HD PHE 29 -2.621 12.479 1.696 180 HD2 PHE 29 1HD PHE 29 -6.231 11.216 3.535 181 HE1 PHE 29 2HE PHE 29 -1.972 13.687 3.798 182 HE2 PHE 29 1HE PHE 29 -5.582 12.424 5.638 183 HZ PHE 29 HZ PHE 29 -3.460 13.645 5.744 184 H GLY 30 H GLY 30 -7.566 11.751 -0.467 185 HA2 GLY 30 1HA GLY 30 -8.859 10.595 -1.900 186 HA3 GLY 30 2HA GLY 30 -7.664 11.021 -3.109 187 H ILE 31 H ILE 31 -7.873 8.746 -0.270 188 HA ILE 31 HA ILE 31 -6.988 6.629 -2.095 189 HB ILE 31 HB ILE 31 -6.016 6.973 0.740 190 HG12 ILE 31 1HG1 ILE 31 -4.655 7.701 -1.868 191 HG13 ILE 31 2HG1 ILE 31 -5.137 8.800 -0.591 192 HG21 ILE 31 1HG2 ILE 31 -4.656 5.254 -1.280 193 HG22 ILE 31 2HG2 ILE 31 -4.809 5.061 0.483 194 HG23 ILE 31 3HG2 ILE 31 -6.184 4.668 -0.578 195 HD11 ILE 31 1HD1 ILE 31 -2.659 7.453 -0.832 196 HD12 ILE 31 2HD1 ILE 31 -3.227 8.407 0.560 197 HD13 ILE 31 3HD1 ILE 31 -3.504 6.649 0.513 198 H GLN 32 H GLN 32 -7.877 4.551 -1.685 199 HA GLN 32 HA GLN 32 -9.914 4.540 0.393 200 HB2 GLN 32 1HB GLN 32 -10.245 4.119 -2.545 201 HB3 GLN 32 2HB GLN 32 -11.089 2.974 -1.521 202 HG2 GLN 32 1HG GLN 32 -11.438 5.650 -0.438 203 HG3 GLN 32 2HG GLN 32 -11.850 5.665 -2.142 204 HE21 GLN 32 1HE2 GLN 32 -13.746 6.121 -0.250 205 HE22 GLN 32 2HE2 GLN 32 -14.882 4.816 -0.171 206 H LEU 33 H LEU 33 -10.175 2.549 1.485 207 HA LEU 33 HA LEU 33 -8.127 0.570 0.801 208 HB2 LEU 33 1HB LEU 33 -9.614 0.916 3.405 209 HB3 LEU 33 2HB LEU 33 -8.246 -0.134 3.095 210 HG LEU 33 HG LEU 33 -7.498 1.776 4.335 211 HD11 LEU 33 1HD1 LEU 33 -6.477 2.536 1.643 212 HD12 LEU 33 2HD1 LEU 33 -5.602 2.194 3.155 213 HD13 LEU 33 3HD1 LEU 33 -6.242 0.853 2.173 214 HD21 LEU 33 1HD2 LEU 33 -8.223 3.723 2.183 215 HD22 LEU 33 2HD2 LEU 33 -9.476 3.205 3.336 216 HD23 LEU 33 3HD2 LEU 33 -7.986 3.976 3.929 217 H GLN 34 H GLN 34 -8.758 -1.765 1.209 218 HA GLN 34 HA GLN 34 -11.523 -2.096 0.342 219 HB2 GLN 34 1HB GLN 34 -10.777 -4.172 -0.781 220 HB3 GLN 34 2HB GLN 34 -9.892 -2.779 -1.372 221 HG2 GLN 34 1HG GLN 34 -7.936 -3.753 -0.779 222 HG3 GLN 34 2HG GLN 34 -8.445 -3.784 0.897 223 HE21 GLN 34 1HE2 GLN 34 -8.963 -5.468 -2.192 224 HE22 GLN 34 2HE2 GLN 34 -9.050 -7.077 -1.557 225 H GLY 35 H GLY 35 -12.802 -3.764 1.315 226 HA2 GLY 35 1HA GLY 35 -11.573 -5.150 3.606 227 HA3 GLY 35 2HA GLY 35 -13.016 -4.182 3.836 228 H SER 36 H SER 36 -14.444 -5.875 4.365 229 HA SER 36 HA SER 36 -15.699 -7.113 2.264 230 HB2 SER 36 1HB SER 36 -13.356 -8.570 3.212 231 HB3 SER 36 2HB SER 36 -14.805 -9.513 3.497 232 HG SER 36 HG SER 36 -14.670 -8.273 0.962 233 H VAL 37 H VAL 37 -17.300 -8.899 3.162 234 HA VAL 37 HA VAL 37 -18.183 -7.925 5.765 235 HB VAL 37 HB VAL 37 -20.313 -8.868 5.174 236 HG11 VAL 37 1HG1 VAL 37 -20.910 -7.435 3.371 237 HG12 VAL 37 2HG1 VAL 37 -19.566 -6.634 4.221 238 HG13 VAL 37 3HG1 VAL 37 -19.267 -7.488 2.688 239 HG21 VAL 37 1HG2 VAL 37 -20.747 -10.125 3.179 240 HG22 VAL 37 2HG2 VAL 37 -19.088 -9.870 2.586 241 HG23 VAL 37 3HG2 VAL 37 -19.376 -10.896 4.012 242 H PHE 38 H PHE 38 -17.120 -10.865 4.011 243 HA PHE 38 HA PHE 38 -17.574 -12.481 6.366 244 HB2 PHE 38 1HB PHE 38 -16.839 -12.764 3.453 245 HB3 PHE 38 2HB PHE 38 -16.172 -13.998 4.504 246 HD1 PHE 38 1HD PHE 38 -18.106 -14.805 6.324 247 HD2 PHE 38 2HD PHE 38 -18.753 -13.413 2.368 248 HE1 PHE 38 1HE PHE 38 -20.282 -16.054 6.241 249 HE2 PHE 38 2HE PHE 38 -20.929 -14.662 2.284 250 HZ PHE 38 HZ PHE 38 -21.668 -15.967 4.222 251 H ALA 39 H ALA 39 -15.934 -13.493 7.607 252 HA ALA 39 HA ALA 39 -13.216 -13.359 6.989 253 HB1 ALA 39 1HB ALA 39 -14.050 -10.859 7.614 254 HB2 ALA 39 2HB ALA 39 -13.703 -11.473 9.248 255 HB3 ALA 39 3HB ALA 39 -12.426 -11.469 8.009 256 H THR 40 H THR 40 -12.219 -13.172 9.701 257 HA THR 40 HA THR 40 -13.775 -15.263 11.058 258 HB THR 40 HB THR 40 -10.863 -15.270 10.175 259 HG1 THR 40 1HG THR 40 -12.606 -16.361 8.970 260 HG21 THR 40 1HG2 THR 40 -11.176 -15.799 12.741 261 HG22 THR 40 2HG2 THR 40 -12.032 -17.252 12.168 262 HG23 THR 40 3HG2 THR 40 -10.325 -16.994 11.732 263 H GLU 41 H GLU 41 -10.592 -13.743 11.784 264 HA GLU 41 HA GLU 41 -11.882 -12.709 14.187 265 HB2 GLU 41 1HB GLU 41 -9.598 -12.807 15.220 266 HB3 GLU 41 2HB GLU 41 -10.203 -14.379 14.737 267 HG2 GLU 41 1HG GLU 41 -8.657 -12.940 12.630 268 HG3 GLU 41 2HG GLU 41 -7.725 -13.383 14.046 269 H THR 42 H THR 42 -9.955 -11.997 11.311 270 HA THR 42 HA THR 42 -10.043 -9.154 12.056 271 HB THR 42 HB THR 42 -7.763 -8.922 11.098 272 HG1 THR 42 1HG THR 42 -8.054 -11.838 10.906 273 HG21 THR 42 1HG2 THR 42 -8.163 -11.078 13.210 274 HG22 THR 42 2HG2 THR 42 -6.531 -10.700 12.608 275 HG23 THR 42 3HG2 THR 42 -7.497 -9.439 13.412 276 H LEU 43 H LEU 43 -8.456 -9.080 9.273 277 HA LEU 43 HA LEU 43 -10.955 -9.037 7.738 278 HB2 LEU 43 1HB LEU 43 -10.096 -6.869 7.853 279 HB3 LEU 43 2HB LEU 43 -8.441 -7.401 7.635 280 HG LEU 43 HG LEU 43 -8.847 -7.904 5.295 281 HD11 LEU 43 1HD1 LEU 43 -10.884 -7.855 4.215 282 HD12 LEU 43 2HD1 LEU 43 -11.337 -8.506 5.809 283 HD13 LEU 43 3HD1 LEU 43 -11.631 -6.792 5.432 284 HD21 LEU 43 1HD2 LEU 43 -10.037 -5.174 5.781 285 HD22 LEU 43 2HD2 LEU 43 -8.330 -5.541 6.127 286 HD23 LEU 43 3HD2 LEU 43 -8.958 -5.711 4.471 287 H SER 44 H SER 44 -8.644 -11.177 8.421 288 HA SER 44 HA SER 44 -7.454 -12.673 7.331 289 HB2 SER 44 1HB SER 44 -10.243 -12.745 6.277 290 HB3 SER 44 2HB SER 44 -9.077 -13.666 5.348 291 HG SER 44 HG SER 44 -9.647 -15.138 6.860 292 H SER 45 H SER 45 -6.802 -10.049 6.384 293 HA SER 45 HA SER 45 -5.268 -10.514 4.277 294 HB2 SER 45 1HB SER 45 -8.076 -10.223 3.384 295 HB3 SER 45 2HB SER 45 -6.972 -9.144 2.555 296 HG SER 45 HG SER 45 -7.153 -11.964 2.468 297 HA PRO 46 HA PRO 46 -4.484 -6.346 5.260 298 HB2 PRO 46 1HB PRO 46 -2.666 -5.673 3.334 299 HB3 PRO 46 2HB PRO 46 -2.244 -6.572 4.777 300 HG2 PRO 46 1HG PRO 46 -2.552 -7.555 2.006 301 HG3 PRO 46 2HG PRO 46 -1.736 -8.317 3.357 302 HD2 PRO 46 1HD PRO 46 -4.314 -9.000 2.303 303 HD3 PRO 46 2HD PRO 46 -3.548 -9.683 3.724 304 HA PRO 47 HA PRO 47 -6.971 -3.771 2.984 305 HB2 PRO 47 1HB PRO 47 -6.205 -1.299 3.861 306 HB3 PRO 47 2HB PRO 47 -7.299 -2.336 4.754 307 HG2 PRO 47 1HG PRO 47 -4.453 -1.744 5.291 308 HG3 PRO 47 2HG PRO 47 -5.658 -2.414 6.373 309 HD2 PRO 47 1HD PRO 47 -3.566 -3.849 5.036 310 HD3 PRO 47 2HD PRO 47 -4.840 -4.534 6.024 311 H LEU 48 H LEU 48 -6.516 -4.167 0.852 312 HA LEU 48 HA LEU 48 -4.166 -2.895 -0.217 313 HB2 LEU 48 1HB LEU 48 -6.307 -4.277 -1.804 314 HB3 LEU 48 2HB LEU 48 -4.606 -4.087 -2.179 315 HG LEU 48 HG LEU 48 -5.241 -5.628 0.283 316 HD11 LEU 48 1HD1 LEU 48 -6.203 -6.413 -2.422 317 HD12 LEU 48 2HD1 LEU 48 -5.436 -7.671 -1.423 318 HD13 LEU 48 3HD1 LEU 48 -6.856 -6.791 -0.810 319 HD21 LEU 48 1HD2 LEU 48 -3.409 -7.075 -0.691 320 HD22 LEU 48 2HD2 LEU 48 -3.236 -5.847 -1.968 321 HD23 LEU 48 3HD2 LEU 48 -2.949 -5.409 -0.267 322 H ILE 49 H ILE 49 -4.079 -1.078 -1.534 323 HA ILE 49 HA ILE 49 -5.908 0.914 -1.125 324 HB ILE 49 HB ILE 49 -3.852 0.415 -3.255 325 HG12 ILE 49 1HG1 ILE 49 -4.011 2.346 -0.922 326 HG13 ILE 49 2HG1 ILE 49 -3.069 0.869 -0.976 327 HG21 ILE 49 1HG2 ILE 49 -6.041 2.331 -3.362 328 HG22 ILE 49 2HG2 ILE 49 -4.449 3.125 -3.382 329 HG23 ILE 49 3HG2 ILE 49 -4.841 1.888 -4.599 330 HD11 ILE 49 1HD1 ILE 49 -2.455 2.428 -3.336 331 HD12 ILE 49 2HD1 ILE 49 -2.305 3.464 -1.897 332 HD13 ILE 49 3HD1 ILE 49 -1.372 1.952 -2.006 333 H SER 50 H SER 50 -8.076 0.343 -1.353 334 HA SER 50 HA SER 50 -9.131 -1.162 -3.343 335 HB2 SER 50 1HB SER 50 -10.490 -0.580 -1.458 336 HB3 SER 50 2HB SER 50 -10.273 1.139 -1.723 337 HG SER 50 HG SER 50 -11.707 1.120 -3.416 338 H TYR 51 H TYR 51 -8.766 2.453 -3.229 339 HA TYR 51 HA TYR 51 -8.509 2.480 -6.110 340 HB2 TYR 51 1HB TYR 51 -10.995 2.618 -5.564 341 HB3 TYR 51 2HB TYR 51 -10.672 3.959 -4.484 342 HD1 TYR 51 1HD TYR 51 -10.209 2.971 -8.073 343 HD2 TYR 51 2HD TYR 51 -10.907 6.137 -5.281 344 HE1 TYR 51 1HE TYR 51 -10.530 4.605 -9.994 345 HE2 TYR 51 2HE TYR 51 -11.225 7.760 -7.212 346 HH TYR 51 HH TYR 51 -11.175 6.610 -10.560 347 H ILE 52 H ILE 52 -8.058 4.813 -6.876 348 HA ILE 52 HA ILE 52 -6.850 6.383 -4.724 349 HB ILE 52 HB ILE 52 -5.473 5.623 -7.302 350 HG12 ILE 52 1HG1 ILE 52 -4.604 4.884 -4.506 351 HG13 ILE 52 2HG1 ILE 52 -5.685 3.862 -5.433 352 HG21 ILE 52 1HG2 ILE 52 -5.129 7.980 -6.244 353 HG22 ILE 52 2HG2 ILE 52 -4.180 7.094 -5.026 354 HG23 ILE 52 3HG2 ILE 52 -3.717 7.017 -6.743 355 HD11 ILE 52 1HD1 ILE 52 -2.806 4.151 -5.672 356 HD12 ILE 52 2HD1 ILE 52 -3.879 2.976 -6.468 357 HD13 ILE 52 3HD1 ILE 52 -3.583 4.561 -7.221 358 H GLU 53 H GLU 53 -8.080 8.197 -4.737 359 HA GLU 53 HA GLU 53 -9.612 9.055 -6.793 360 HB2 GLU 53 1HB GLU 53 -9.077 9.905 -4.222 361 HB3 GLU 53 2HB GLU 53 -8.420 11.233 -5.157 362 HG2 GLU 53 1HG GLU 53 -10.911 10.578 -6.387 363 HG3 GLU 53 2HG GLU 53 -11.210 10.548 -4.660 364 H ALA 54 H ALA 54 -9.411 10.863 -8.335 365 HA ALA 54 HA ALA 54 -6.751 10.912 -9.477 366 HB1 ALA 54 1HB ALA 54 -8.291 10.595 -11.166 367 HB2 ALA 54 2HB ALA 54 -9.550 11.551 -10.347 368 HB3 ALA 54 3HB ALA 54 -8.209 12.373 -11.181 369 H ASP 55 H ASP 55 -5.930 13.100 -10.322 370 HA ASP 55 HA ASP 55 -5.094 15.042 -9.831 371 HB2 ASP 55 1HB ASP 55 -7.789 15.433 -10.066 372 HB3 ASP 55 2HB ASP 55 -7.561 16.024 -8.432 373 H SER 56 H SER 56 -5.232 12.833 -7.684 374 HA SER 56 HA SER 56 -5.099 14.522 -5.319 375 HB2 SER 56 1HB SER 56 -6.151 12.839 -4.243 376 HB3 SER 56 2HB SER 56 -6.316 12.013 -5.780 377 HG SER 56 HG SER 56 -4.622 10.702 -5.328 378 HA PRO 57 HA PRO 57 -0.835 13.729 -4.952 379 HB2 PRO 57 1HB PRO 57 -0.413 13.469 -2.264 380 HB3 PRO 57 2HB PRO 57 -0.628 15.018 -3.055 381 HG2 PRO 57 1HG PRO 57 -2.537 13.517 -1.369 382 HG3 PRO 57 2HG PRO 57 -2.559 15.213 -1.808 383 HD2 PRO 57 1HD PRO 57 -4.196 13.134 -2.913 384 HD3 PRO 57 2HD PRO 57 -4.135 14.807 -3.431 385 H ALA 58 H ALA 58 -2.963 11.346 -3.751 386 HA ALA 58 HA ALA 58 -0.975 9.408 -3.199 387 HB1 ALA 58 1HB ALA 58 -3.946 9.182 -3.831 388 HB2 ALA 58 2HB ALA 58 -2.932 7.864 -3.195 389 HB3 ALA 58 3HB ALA 58 -3.214 9.323 -2.215 390 H GLU 59 H GLU 59 -2.706 10.519 -6.104 391 HA GLU 59 HA GLU 59 -1.693 8.263 -7.587 392 HB2 GLU 59 1HB GLU 59 -4.044 9.179 -7.899 393 HB3 GLU 59 2HB GLU 59 -3.338 10.628 -8.586 394 HG2 GLU 59 1HG GLU 59 -3.530 9.499 -10.571 395 HG3 GLU 59 2HG GLU 59 -2.034 8.733 -10.073 396 H ARG 60 H ARG 60 -0.912 11.587 -6.827 397 HA ARG 60 HA ARG 60 0.406 12.345 -9.092 398 HB2 ARG 60 1HB ARG 60 0.617 13.029 -6.164 399 HB3 ARG 60 2HB ARG 60 1.913 13.587 -7.203 400 HG2 ARG 60 1HG ARG 60 -0.420 14.201 -8.659 401 HG3 ARG 60 2HG ARG 60 -0.862 14.553 -6.999 402 HD2 ARG 60 1HD ARG 60 0.123 16.585 -7.534 403 HD3 ARG 60 2HD ARG 60 1.553 15.743 -6.970 404 HE ARG 60 HE ARG 60 1.072 15.298 -9.812 405 HH11 ARG 60 2HH2 ARG 60 2.457 17.538 -7.479 406 HH12 ARG 60 1HH2 ARG 60 3.552 18.247 -8.619 407 HH21 ARG 60 2HH1 ARG 60 2.516 16.232 -11.315 408 HH22 ARG 60 1HH1 ARG 60 3.586 17.499 -10.815 409 H CYS 61 H CYS 61 1.676 10.642 -6.142 410 HA CYS 61 HA CYS 61 4.302 10.461 -7.001 411 HB2 CYS 61 1HB CYS 61 4.426 8.528 -5.363 412 HB3 CYS 61 2HB CYS 61 3.866 10.056 -4.712 413 HG CYS 61 HG CYS 61 2.115 7.434 -5.720 414 H GLY 62 H GLY 62 1.416 8.335 -7.458 415 HA2 GLY 62 1HA GLY 62 0.989 6.982 -9.258 416 HA3 GLY 62 2HA GLY 62 2.630 7.194 -9.834 417 H VAL 63 H VAL 63 4.108 6.480 -7.485 418 HA VAL 63 HA VAL 63 4.498 3.846 -7.757 419 HB VAL 63 HB VAL 63 5.360 3.898 -5.413 420 HG11 VAL 63 1HG1 VAL 63 6.093 5.933 -7.496 421 HG12 VAL 63 2HG1 VAL 63 6.922 5.959 -5.921 422 HG13 VAL 63 3HG1 VAL 63 6.988 4.499 -6.937 423 HG21 VAL 63 1HG2 VAL 63 4.013 5.287 -4.150 424 HG22 VAL 63 2HG2 VAL 63 5.395 6.359 -4.480 425 HG23 VAL 63 3HG2 VAL 63 3.897 6.521 -5.428 426 H LEU 64 H LEU 64 1.935 5.440 -5.819 427 HA LEU 64 HA LEU 64 1.063 3.020 -4.615 428 HB2 LEU 64 1HB LEU 64 -0.452 5.607 -4.965 429 HB3 LEU 64 2HB LEU 64 -0.780 4.333 -3.807 430 HG LEU 64 HG LEU 64 1.704 6.071 -3.841 431 HD11 LEU 64 1HD1 LEU 64 -0.191 6.234 -1.579 432 HD12 LEU 64 2HD1 LEU 64 0.734 7.509 -2.407 433 HD13 LEU 64 3HD1 LEU 64 -0.776 6.898 -3.124 434 HD21 LEU 64 1HD2 LEU 64 1.555 4.951 -1.348 435 HD22 LEU 64 2HD2 LEU 64 1.001 3.615 -2.386 436 HD23 LEU 64 3HD2 LEU 64 2.585 4.372 -2.679 437 H GLN 65 H GLN 65 0.271 1.346 -5.772 438 HA GLN 65 HA GLN 65 -1.254 2.021 -8.151 439 HB2 GLN 65 1HB GLN 65 0.137 -0.533 -7.254 440 HB3 GLN 65 2HB GLN 65 -0.947 -0.493 -8.630 441 HG2 GLN 65 1HG GLN 65 0.627 0.469 -9.962 442 HG3 GLN 65 2HG GLN 65 0.976 1.712 -8.776 443 HE21 GLN 65 1HE2 GLN 65 3.172 1.494 -9.419 444 HE22 GLN 65 2HE2 GLN 65 4.181 0.241 -8.775 445 H ILE 66 H ILE 66 -3.244 0.669 -8.611 446 HA ILE 66 HA ILE 66 -4.928 0.707 -6.338 447 HB ILE 66 HB ILE 66 -5.310 -0.289 -9.161 448 HG12 ILE 66 1HG1 ILE 66 -4.868 2.187 -8.708 449 HG13 ILE 66 2HG1 ILE 66 -6.294 1.777 -9.640 450 HG21 ILE 66 1HG2 ILE 66 -6.795 -1.361 -7.359 451 HG22 ILE 66 2HG2 ILE 66 -7.539 0.249 -7.205 452 HG23 ILE 66 3HG2 ILE 66 -7.589 -0.609 -8.764 453 HD11 ILE 66 1HD1 ILE 66 -6.394 3.468 -7.543 454 HD12 ILE 66 2HD1 ILE 66 -7.760 2.404 -7.958 455 HD13 ILE 66 3HD1 ILE 66 -6.633 1.940 -6.660 456 H GLY 67 H GLY 67 -5.276 -0.834 -4.829 457 HA2 GLY 67 1HA GLY 67 -5.463 -2.890 -3.905 458 HA3 GLY 67 2HA GLY 67 -5.219 -3.619 -5.479 459 H ASP 68 H ASP 68 -3.105 -1.346 -3.599 460 HA ASP 68 HA ASP 68 -0.853 -2.927 -4.219 461 HB2 ASP 68 1HB ASP 68 -1.399 -0.300 -3.226 462 HB3 ASP 68 2HB ASP 68 -0.412 -1.081 -2.007 463 H ARG 69 H ARG 69 0.680 -2.889 -1.826 464 HA ARG 69 HA ARG 69 -0.967 -4.503 -0.049 465 HB2 ARG 69 1HB ARG 69 1.504 -5.526 0.436 466 HB3 ARG 69 2HB ARG 69 0.445 -6.179 -0.798 467 HG2 ARG 69 1HG ARG 69 2.396 -3.927 -1.421 468 HG3 ARG 69 2HG ARG 69 2.897 -5.605 -1.475 469 HD2 ARG 69 1HD ARG 69 0.591 -5.762 -2.955 470 HD3 ARG 69 2HD ARG 69 1.060 -4.112 -3.310 471 HE ARG 69 HE ARG 69 2.496 -6.553 -4.105 472 HH11 ARG 69 2HH2 ARG 69 2.688 -3.065 -3.686 473 HH12 ARG 69 1HH2 ARG 69 4.024 -2.879 -4.773 474 HH21 ARG 69 2HH1 ARG 69 4.258 -6.309 -5.539 475 HH22 ARG 69 1HH1 ARG 69 4.923 -4.737 -5.834 476 H VAL 70 H VAL 70 -1.358 -2.737 1.410 477 HA VAL 70 HA VAL 70 0.887 -1.221 2.383 478 HB VAL 70 HB VAL 70 -1.438 -0.347 1.919 479 HG11 VAL 70 1HG1 VAL 70 -2.578 -2.304 3.067 480 HG12 VAL 70 2HG1 VAL 70 -2.124 -1.550 4.614 481 HG13 VAL 70 3HG1 VAL 70 -3.197 -0.688 3.485 482 HG21 VAL 70 1HG2 VAL 70 -1.202 0.562 4.622 483 HG22 VAL 70 2HG2 VAL 70 0.435 0.298 3.973 484 HG23 VAL 70 3HG2 VAL 70 -0.697 1.376 3.122 485 H MET 71 H MET 71 2.268 -2.089 3.838 486 HA MET 71 HA MET 71 1.413 -4.290 5.424 487 HB2 MET 71 1HB MET 71 4.004 -2.687 5.707 488 HB3 MET 71 2HB MET 71 3.755 -4.377 6.099 489 HG2 MET 71 1HG MET 71 3.053 -3.923 3.307 490 HG3 MET 71 2HG MET 71 4.654 -3.280 3.615 491 HE1 MET 71 1HE MET 71 2.297 -6.207 3.566 492 HE2 MET 71 2HE MET 71 3.263 -7.627 4.034 493 HE3 MET 71 3HE MET 71 2.742 -6.458 5.271 494 H ALA 72 H ALA 72 1.793 -0.788 5.808 495 HA ALA 72 HA ALA 72 0.442 -0.893 8.317 496 HB1 ALA 72 1HB ALA 72 2.303 0.289 9.556 497 HB2 ALA 72 2HB ALA 72 2.633 -1.419 9.181 498 HB3 ALA 72 3HB ALA 72 3.386 -0.133 8.208 499 H ILE 73 H ILE 73 0.179 1.443 9.178 500 HA ILE 73 HA ILE 73 0.424 3.364 6.986 501 HB ILE 73 HB ILE 73 -2.087 2.789 8.562 502 HG12 ILE 73 1HG1 ILE 73 -1.297 2.314 5.685 503 HG13 ILE 73 2HG1 ILE 73 -1.872 1.150 6.862 504 HG21 ILE 73 1HG2 ILE 73 -1.603 5.232 8.141 505 HG22 ILE 73 2HG2 ILE 73 -1.721 4.873 6.401 506 HG23 ILE 73 3HG2 ILE 73 -3.128 4.613 7.461 507 HD11 ILE 73 1HD1 ILE 73 -3.421 3.204 5.302 508 HD12 ILE 73 2HD1 ILE 73 -3.841 1.517 5.684 509 HD13 ILE 73 3HD1 ILE 73 -4.006 2.778 6.929 510 H ASN 74 H ASN 74 2.007 4.631 7.886 511 HA ASN 74 HA ASN 74 2.780 6.241 9.137 512 HB2 ASN 74 1HB ASN 74 0.008 6.284 9.867 513 HB3 ASN 74 2HB ASN 74 0.899 6.358 11.375 514 HD21 ASN 74 1HD2 ASN 74 -0.191 8.034 8.658 515 HD22 ASN 74 2HD2 ASN 74 0.630 9.542 8.885 516 H GLY 75 H GLY 75 2.943 3.211 9.648 517 HA2 GLY 75 1HA GLY 75 4.495 2.183 11.059 518 HA3 GLY 75 2HA GLY 75 4.196 3.389 12.295 519 H ILE 76 H ILE 76 1.130 2.938 11.413 520 HA ILE 76 HA ILE 76 0.604 1.153 13.569 521 HB ILE 76 HB ILE 76 -1.013 2.744 11.623 522 HG12 ILE 76 1HG1 ILE 76 -0.083 3.779 13.676 523 HG13 ILE 76 2HG1 ILE 76 -1.833 3.831 13.600 524 HG21 ILE 76 1HG2 ILE 76 -2.610 1.184 11.569 525 HG22 ILE 76 2HG2 ILE 76 -1.860 0.236 12.876 526 HG23 ILE 76 3HG2 ILE 76 -2.912 1.617 13.268 527 HD11 ILE 76 1HD1 ILE 76 -0.246 2.769 15.693 528 HD12 ILE 76 2HD1 ILE 76 -2.015 2.656 15.527 529 HD13 ILE 76 3HD1 ILE 76 -0.976 1.359 14.888 530 HA PRO 77 HA PRO 77 0.653 -2.491 11.228 531 HB2 PRO 77 1HB PRO 77 -0.361 -4.207 13.098 532 HB3 PRO 77 2HB PRO 77 1.324 -3.728 13.050 533 HG2 PRO 77 1HG PRO 77 -0.801 -2.848 14.907 534 HG3 PRO 77 2HG PRO 77 0.937 -2.724 15.091 535 HD2 PRO 77 1HD PRO 77 -0.868 -0.610 14.384 536 HD3 PRO 77 2HD PRO 77 0.880 -0.516 14.455 537 H THR 78 H THR 78 -0.576 -2.744 9.479 538 HA THR 78 HA THR 78 -3.463 -2.640 9.964 539 HB THR 78 HB THR 78 -3.340 -2.508 7.335 540 HG1 THR 78 1HG THR 78 -1.050 -3.236 7.390 541 HG21 THR 78 1HG2 THR 78 -1.784 -0.199 8.446 542 HG22 THR 78 2HG2 THR 78 -3.272 -0.193 7.469 543 HG23 THR 78 3HG2 THR 78 -3.357 -0.510 9.219 544 H GLU 79 H GLU 79 -3.682 -4.714 10.960 545 HA GLU 79 HA GLU 79 -4.486 -6.658 9.270 546 HB2 GLU 79 1HB GLU 79 -1.657 -6.608 9.258 547 HB3 GLU 79 2HB GLU 79 -2.073 -7.972 10.276 548 HG2 GLU 79 1HG GLU 79 -3.716 -7.777 7.806 549 HG3 GLU 79 2HG GLU 79 -2.007 -8.014 7.500 550 H ASP 80 H ASP 80 -5.846 -5.957 11.290 551 HA ASP 80 HA ASP 80 -6.082 -8.114 12.929 552 HB2 ASP 80 1HB ASP 80 -4.018 -7.544 14.052 553 HB3 ASP 80 2HB ASP 80 -4.444 -5.847 14.130 554 H SER 81 H SER 81 -5.980 -4.494 13.424 555 HA SER 81 HA SER 81 -8.405 -4.376 14.741 556 HB2 SER 81 1HB SER 81 -8.138 -1.878 13.552 557 HB3 SER 81 2HB SER 81 -7.437 -2.356 15.085 558 HG SER 81 HG SER 81 -5.724 -1.587 13.865 559 H THR 82 H THR 82 -10.076 -2.522 13.567 560 HA THR 82 HA THR 82 -11.261 -4.089 11.454 561 HB THR 82 HB THR 82 -13.192 -2.799 11.955 562 HG1 THR 82 1HG THR 82 -11.249 -0.875 13.028 563 HG21 THR 82 1HG2 THR 82 -11.862 -2.093 14.554 564 HG22 THR 82 2HG2 THR 82 -13.418 -2.908 14.268 565 HG23 THR 82 3HG2 THR 82 -11.897 -3.822 14.135 566 H PHE 83 H PHE 83 -11.625 -3.488 9.316 567 HA PHE 83 HA PHE 83 -9.595 -2.225 8.022 568 HB2 PHE 83 1HB PHE 83 -11.024 -3.375 6.565 569 HB3 PHE 83 2HB PHE 83 -12.432 -3.045 7.555 570 HD1 PHE 83 2HD PHE 83 -13.357 -0.609 7.452 571 HD2 PHE 83 1HD PHE 83 -10.772 -2.282 4.532 572 HE1 PHE 83 2HE PHE 83 -14.122 1.110 5.790 573 HE2 PHE 83 1HE PHE 83 -11.537 -0.563 2.870 574 HZ PHE 83 HZ PHE 83 -13.203 1.112 3.519 575 H GLU 84 H GLU 84 -12.277 -0.788 9.789 576 HA GLU 84 HA GLU 84 -12.207 1.678 8.427 577 HB2 GLU 84 1HB GLU 84 -13.798 0.428 10.439 578 HB3 GLU 84 2HB GLU 84 -13.199 1.915 11.147 579 HG2 GLU 84 1HG GLU 84 -13.923 2.698 8.553 580 HG3 GLU 84 2HG GLU 84 -15.162 1.532 8.972 581 H GLU 85 H GLU 85 -10.187 0.146 10.797 582 HA GLU 85 HA GLU 85 -9.367 2.367 12.231 583 HB2 GLU 85 1HB GLU 85 -7.508 0.983 12.958 584 HB3 GLU 85 2HB GLU 85 -8.933 -0.031 12.840 585 HG2 GLU 85 1HG GLU 85 -7.562 -1.405 11.619 586 HG3 GLU 85 2HG GLU 85 -7.955 -0.322 10.299 587 H ALA 86 H ALA 86 -8.362 1.023 9.067 588 HA ALA 86 HA ALA 86 -6.073 2.695 8.828 589 HB1 ALA 86 1HB ALA 86 -6.846 0.415 7.645 590 HB2 ALA 86 2HB ALA 86 -7.477 1.560 6.437 591 HB3 ALA 86 3HB ALA 86 -5.745 1.565 6.849 592 H ASN 87 H ASN 87 -9.426 2.734 7.433 593 HA ASN 87 HA ASN 87 -9.194 4.945 5.914 594 HB2 ASN 87 1HB ASN 87 -11.255 3.313 6.582 595 HB3 ASN 87 2HB ASN 87 -11.684 4.670 7.605 596 HD21 ASN 87 1HD2 ASN 87 -11.571 3.392 4.444 597 HD22 ASN 87 2HD2 ASN 87 -12.230 4.735 3.571 598 H GLN 88 H GLN 88 -9.116 4.624 9.410 599 HA GLN 88 HA GLN 88 -9.862 7.342 9.891 600 HB2 GLN 88 1HB GLN 88 -9.449 4.906 11.466 601 HB3 GLN 88 2HB GLN 88 -8.680 6.284 12.229 602 HG2 GLN 88 1HG GLN 88 -10.839 6.473 13.098 603 HG3 GLN 88 2HG GLN 88 -10.972 7.516 11.696 604 HE21 GLN 88 1HE2 GLN 88 -11.784 6.582 9.695 605 HE22 GLN 88 2HE2 GLN 88 -12.993 5.342 9.750 606 H LEU 89 H LEU 89 -6.882 5.324 9.805 607 HA LEU 89 HA LEU 89 -5.102 7.127 10.869 608 HB2 LEU 89 1HB LEU 89 -4.657 5.149 8.629 609 HB3 LEU 89 2HB LEU 89 -3.403 5.907 9.590 610 HG LEU 89 HG LEU 89 -5.357 3.765 10.359 611 HD11 LEU 89 1HD1 LEU 89 -3.479 2.605 10.028 612 HD12 LEU 89 2HD1 LEU 89 -2.463 4.066 10.048 613 HD13 LEU 89 3HD1 LEU 89 -2.930 3.285 11.578 614 HD21 LEU 89 1HD2 LEU 89 -4.615 4.127 12.762 615 HD22 LEU 89 2HD2 LEU 89 -4.090 5.749 12.252 616 HD23 LEU 89 3HD2 LEU 89 -5.801 5.282 12.109 617 H LEU 90 H LEU 90 -6.949 7.303 7.920 618 HA LEU 90 HA LEU 90 -5.123 9.140 6.658 619 HB2 LEU 90 1HB LEU 90 -7.793 7.955 5.963 620 HB3 LEU 90 2HB LEU 90 -7.153 9.314 5.062 621 HG LEU 90 HG LEU 90 -6.000 6.532 5.300 622 HD11 LEU 90 1HD1 LEU 90 -7.622 6.560 3.617 623 HD12 LEU 90 2HD1 LEU 90 -7.152 8.183 3.056 624 HD13 LEU 90 3HD1 LEU 90 -6.086 6.792 2.747 625 HD21 LEU 90 1HD2 LEU 90 -4.627 9.084 4.641 626 HD22 LEU 90 2HD2 LEU 90 -3.993 7.582 5.354 627 HD23 LEU 90 3HD2 LEU 90 -4.280 7.683 3.600 628 H ARG 91 H ARG 91 -8.546 9.307 7.881 629 HA ARG 91 HA ARG 91 -8.759 12.014 7.656 630 HB2 ARG 91 1HB ARG 91 -10.711 11.816 9.058 631 HB3 ARG 91 2HB ARG 91 -10.590 10.295 8.197 632 HG2 ARG 91 1HG ARG 91 -10.520 9.191 10.172 633 HG3 ARG 91 2HG ARG 91 -9.010 9.990 10.560 634 HD2 ARG 91 1HD ARG 91 -10.076 11.099 12.229 635 HD3 ARG 91 2HD ARG 91 -11.016 11.952 11.021 636 HE ARG 91 HE ARG 91 -12.079 9.289 11.545 637 HH11 ARG 91 2HH2 ARG 91 -12.028 12.606 12.717 638 HH12 ARG 91 1HH2 ARG 91 -13.545 12.473 13.542 639 HH21 ARG 91 2HH1 ARG 91 -14.081 9.112 12.633 640 HH22 ARG 91 1HH1 ARG 91 -14.720 10.472 13.494 641 H ASP 92 H ASP 92 -6.842 10.121 9.846 642 HA ASP 92 HA ASP 92 -6.824 12.111 11.900 643 HB2 ASP 92 1HB ASP 92 -6.606 9.715 12.471 644 HB3 ASP 92 2HB ASP 92 -5.183 9.574 11.458 645 H SER 93 H SER 93 -4.819 10.900 9.172 646 HA SER 93 HA SER 93 -2.483 12.230 9.818 647 HB2 SER 93 1HB SER 93 -3.643 10.877 7.452 648 HB3 SER 93 2HB SER 93 -2.495 12.134 7.038 649 HG SER 93 HG SER 93 -2.048 9.842 8.747 650 H SER 94 H SER 94 -5.411 13.209 7.963 651 HA SER 94 HA SER 94 -4.655 15.399 6.704 652 HB2 SER 94 1HB SER 94 -7.110 14.434 7.904 653 HB3 SER 94 2HB SER 94 -7.030 16.174 8.105 654 HG SER 94 HG SER 94 -6.371 15.071 5.549 655 H ILE 95 H ILE 95 -4.804 14.959 10.227 656 HA ILE 95 HA ILE 95 -4.853 17.571 11.078 657 HB ILE 95 HB ILE 95 -3.644 15.051 12.166 658 HG12 ILE 95 1HG1 ILE 95 -5.759 16.618 13.556 659 HG13 ILE 95 2HG1 ILE 95 -6.215 15.853 12.047 660 HG21 ILE 95 1HG2 ILE 95 -2.153 16.495 13.166 661 HG22 ILE 95 2HG2 ILE 95 -3.314 17.844 13.209 662 HG23 ILE 95 3HG2 ILE 95 -3.484 16.486 14.348 663 HD11 ILE 95 1HD1 ILE 95 -4.612 14.044 13.717 664 HD12 ILE 95 2HD1 ILE 95 -6.076 14.609 14.557 665 HD13 ILE 95 3HD1 ILE 95 -6.214 13.785 12.985 666 H THR 96 H THR 96 -1.818 15.586 10.845 667 HA THR 96 HA THR 96 -0.205 17.925 10.792 668 HB THR 96 HB THR 96 0.494 15.718 11.748 669 HG1 THR 96 1HG THR 96 2.204 17.048 11.002 670 HG21 THR 96 1HG2 THR 96 1.010 14.726 8.941 671 HG22 THR 96 2HG2 THR 96 0.813 13.793 10.445 672 HG23 THR 96 3HG2 THR 96 -0.614 14.473 9.625 673 H SER 97 H SER 97 -2.208 16.534 8.441 674 HA SER 97 HA SER 97 -2.512 17.057 6.348 675 HB2 SER 97 1HB SER 97 -0.781 19.189 7.215 676 HB3 SER 97 2HB SER 97 -0.263 18.705 5.613 677 HG SER 97 HG SER 97 -1.882 19.959 4.966 678 H LYS 98 H LYS 98 -0.416 15.049 7.522 679 HA LYS 98 HA LYS 98 0.635 14.296 4.910 680 HB2 LYS 98 1HB LYS 98 2.296 15.606 6.576 681 HB3 LYS 98 2HB LYS 98 2.503 13.986 7.210 682 HG2 LYS 98 1HG LYS 98 3.326 13.137 5.151 683 HG3 LYS 98 2HG LYS 98 2.613 14.436 4.215 684 HD2 LYS 98 1HD LYS 98 4.384 15.693 6.070 685 HD3 LYS 98 2HD LYS 98 5.252 14.304 5.447 686 HE2 LYS 98 1HE LYS 98 5.731 15.571 3.619 687 HE3 LYS 98 2HE LYS 98 4.056 15.364 3.146 688 HZ1 LYS 98 1HZ LYS 98 4.126 17.362 5.044 689 HZ2 LYS 98 2HZ LYS 98 5.332 17.688 3.993 690 HZ3 LYS 98 3HZ LYS 98 3.802 17.512 3.450 691 H VAL 99 H VAL 99 1.012 12.002 4.701 692 HA VAL 99 HA VAL 99 0.111 10.392 6.957 693 HB VAL 99 HB VAL 99 -1.855 10.975 5.530 694 HG11 VAL 99 1HG1 VAL 99 -1.878 10.722 3.306 695 HG12 VAL 99 2HG1 VAL 99 -0.119 10.473 3.411 696 HG13 VAL 99 3HG1 VAL 99 -1.217 9.073 3.410 697 HG21 VAL 99 1HG2 VAL 99 -2.098 8.237 5.024 698 HG22 VAL 99 2HG2 VAL 99 -0.955 8.340 6.385 699 HG23 VAL 99 3HG2 VAL 99 -2.562 9.095 6.513 700 H THR 100 H THR 100 1.144 8.397 7.076 701 HA THR 100 HA THR 100 3.094 7.899 4.923 702 HB THR 100 HB THR 100 3.204 7.786 7.944 703 HG1 THR 100 1HG THR 100 5.331 8.685 7.254 704 HG21 THR 100 1HG2 THR 100 4.625 5.935 5.998 705 HG22 THR 100 2HG2 THR 100 5.488 6.536 7.434 706 HG23 THR 100 3HG2 THR 100 4.004 5.573 7.626 707 H LEU 101 H LEU 101 2.998 6.034 3.819 708 HA LEU 101 HA LEU 101 1.349 3.911 4.996 709 HB2 LEU 101 1HB LEU 101 1.327 4.808 2.111 710 HB3 LEU 101 2HB LEU 101 0.464 3.430 2.766 711 HG LEU 101 HG LEU 101 -0.142 5.947 4.157 712 HD11 LEU 101 1HD1 LEU 101 -1.503 5.883 1.544 713 HD12 LEU 101 2HD1 LEU 101 -0.902 7.258 2.502 714 HD13 LEU 101 3HD1 LEU 101 0.220 6.325 1.484 715 HD21 LEU 101 1HD2 LEU 101 -2.243 4.368 2.789 716 HD22 LEU 101 2HD2 LEU 101 -1.283 3.506 4.016 717 HD23 LEU 101 3HD2 LEU 101 -2.163 4.990 4.455 718 H GLU 102 H GLU 102 2.318 1.936 5.049 719 HA GLU 102 HA GLU 102 4.926 1.817 3.797 720 HB2 GLU 102 1HB GLU 102 4.184 1.178 6.329 721 HB3 GLU 102 2HB GLU 102 3.949 -0.388 5.578 722 HG2 GLU 102 1HG GLU 102 6.192 -0.750 5.375 723 HG3 GLU 102 2HG GLU 102 6.476 0.849 4.717 724 H ILE 103 H ILE 103 4.947 0.996 1.747 725 HA ILE 103 HA ILE 103 3.007 -1.116 1.143 726 HB ILE 103 HB ILE 103 4.529 0.763 -0.666 727 HG12 ILE 103 1HG1 ILE 103 2.648 1.726 0.725 728 HG13 ILE 103 2HG1 ILE 103 2.505 1.920 -1.010 729 HG21 ILE 103 1HG2 ILE 103 2.952 -0.201 -2.417 730 HG22 ILE 103 2HG2 ILE 103 4.303 -1.234 -1.892 731 HG23 ILE 103 3HG2 ILE 103 2.661 -1.531 -1.270 732 HD11 ILE 103 1HD1 ILE 103 1.018 -0.025 0.788 733 HD12 ILE 103 2HD1 ILE 103 0.346 1.195 -0.320 734 HD13 ILE 103 3HD1 ILE 103 1.108 -0.275 -0.972 735 H GLU 104 H GLU 104 3.822 -2.867 -0.369 736 HA GLU 104 HA GLU 104 6.628 -3.400 0.225 737 HB2 GLU 104 1HB GLU 104 5.524 -4.925 1.641 738 HB3 GLU 104 2HB GLU 104 4.208 -5.186 0.514 739 HG2 GLU 104 1HG GLU 104 5.404 -6.726 -0.758 740 HG3 GLU 104 2HG GLU 104 6.949 -5.963 -0.436 741 H PHE 105 H PHE 105 7.886 -4.165 -1.492 742 HA PHE 105 HA PHE 105 6.465 -4.879 -3.938 743 HB2 PHE 105 1HB PHE 105 8.284 -3.393 -5.090 744 HB3 PHE 105 2HB PHE 105 6.997 -2.534 -4.268 745 HD1 PHE 105 2HD PHE 105 7.490 -1.907 -1.762 746 HD2 PHE 105 1HD PHE 105 10.481 -2.832 -4.626 747 HE1 PHE 105 2HE PHE 105 9.191 -0.681 -0.382 748 HE2 PHE 105 1HE PHE 105 12.182 -1.606 -3.246 749 HZ PHE 105 HZ PHE 105 11.516 -0.545 -1.141 750 H ASP 106 H ASP 106 8.349 -5.498 -5.669 751 HA ASP 106 HA ASP 106 9.866 -7.496 -4.247 752 HB2 ASP 106 1HB ASP 106 10.386 -8.207 -6.710 753 HB3 ASP 106 2HB ASP 106 8.766 -8.462 -6.092 754 H VAL 107 H VAL 107 12.219 -7.744 -4.662 755 HA VAL 107 HA VAL 107 13.441 -5.273 -5.683 756 HB VAL 107 HB VAL 107 14.436 -7.116 -3.501 757 HG11 VAL 107 1HG1 VAL 107 15.498 -4.441 -4.474 758 HG12 VAL 107 2HG1 VAL 107 16.131 -5.386 -3.104 759 HG13 VAL 107 3HG1 VAL 107 16.246 -6.031 -4.759 760 HG21 VAL 107 1HG2 VAL 107 12.574 -4.871 -3.445 761 HG22 VAL 107 2HG2 VAL 107 12.999 -6.036 -2.168 762 HG23 VAL 107 3HG2 VAL 107 13.998 -4.584 -2.416 763 H ALA 108 H ALA 108 15.317 -5.491 -6.997 764 HA ALA 108 HA ALA 108 15.326 -7.851 -8.567 765 HB1 ALA 108 1HB ALA 108 16.371 -6.476 -10.014 766 HB2 ALA 108 2HB ALA 108 16.160 -5.185 -8.806 767 HB3 ALA 108 3HB ALA 108 17.670 -6.127 -8.848 768 H GLU 109 H GLU 109 16.735 -9.599 -8.571 769 HA GLU 109 HA GLU 109 18.632 -9.595 -6.354 770 HB2 GLU 109 1HB GLU 109 16.688 -11.637 -7.344 771 HB3 GLU 109 2HB GLU 109 18.256 -12.255 -6.864 772 HG2 GLU 109 1HG GLU 109 17.364 -10.313 -4.894 773 HG3 GLU 109 2HG GLU 109 16.082 -11.477 -5.168 774 H SER 110 H SER 110 20.517 -11.239 -6.749 775 HA SER 110 HA SER 110 21.588 -10.551 -9.313 776 HB2 SER 110 1HB SER 110 22.751 -11.993 -6.893 777 HB3 SER 110 2HB SER 110 23.660 -11.723 -8.367 778 HG SER 110 HG SER 110 22.505 -9.689 -6.657 779 H VAL 111 H VAL 111 20.761 -11.819 -10.976 780 HA VAL 111 HA VAL 111 21.493 -14.577 -10.987 781 HB VAL 111 HB VAL 111 19.410 -14.615 -9.655 782 HG11 VAL 111 1HG1 VAL 111 17.415 -13.735 -10.320 783 HG12 VAL 111 2HG1 VAL 111 18.489 -12.620 -11.197 784 HG13 VAL 111 3HG1 VAL 111 17.747 -13.995 -12.049 785 HG21 VAL 111 1HG2 VAL 111 18.620 -15.899 -12.226 786 HG22 VAL 111 2HG2 VAL 111 20.202 -16.348 -11.546 787 HG23 VAL 111 3HG2 VAL 111 18.723 -16.579 -10.584 788 H ILE 112 H ILE 112 21.876 -15.218 -13.083 789 HA ILE 112 HA ILE 112 21.989 -13.311 -15.073 790 HB ILE 112 HB ILE 112 23.062 -15.694 -14.746 791 HG12 ILE 112 1HG1 ILE 112 22.487 -14.558 -17.498 792 HG13 ILE 112 2HG1 ILE 112 23.685 -13.920 -16.390 793 HG21 ILE 112 1HG2 ILE 112 21.018 -16.978 -14.998 794 HG22 ILE 112 2HG2 ILE 112 20.741 -16.272 -16.608 795 HG23 ILE 112 3HG2 ILE 112 22.140 -17.337 -16.332 796 HD11 ILE 112 1HD1 ILE 112 25.149 -15.408 -17.274 797 HD12 ILE 112 2HD1 ILE 112 24.223 -16.687 -16.453 798 HD13 ILE 112 3HD1 ILE 112 23.847 -16.260 -18.140 799 HA PRO 113 HA PRO 113 17.869 -13.096 -16.391 800 HB2 PRO 113 1HB PRO 113 18.220 -11.575 -18.634 801 HB3 PRO 113 2HB PRO 113 18.119 -10.896 -17.022 802 HG2 PRO 113 1HG PRO 113 20.502 -11.263 -18.733 803 HG3 PRO 113 2HG PRO 113 20.305 -10.227 -17.334 804 HD2 PRO 113 1HD PRO 113 21.691 -12.736 -17.428 805 HD3 PRO 113 2HD PRO 113 21.393 -11.756 -16.006 806 H SER 114 H SER 114 20.209 -13.746 -18.955 807 HA SER 114 HA SER 114 18.774 -16.119 -19.570 808 HB2 SER 114 1HB SER 114 18.069 -13.728 -20.973 809 HB3 SER 114 2HB SER 114 18.995 -14.705 -22.094 810 HG SER 114 HG SER 114 16.768 -15.270 -22.226 811 H SER 115 H SER 115 19.914 -17.275 -21.513 812 HA SER 115 HA SER 115 22.405 -16.325 -22.333 813 HB2 SER 115 1HB SER 115 22.631 -17.166 -19.773 814 HB3 SER 115 2HB SER 115 22.809 -18.720 -20.564 815 HG SER 115 HG SER 115 24.703 -18.106 -21.484 816 H GLY 116 H GLY 116 21.663 -17.006 -24.390 817 HA2 GLY 116 1HA GLY 116 21.327 -18.431 -26.094 818 HA3 GLY 116 2HA GLY 116 22.190 -19.639 -25.164 819 H SER 117 H SER 117 19.179 -18.772 -26.513 820 HA SER 117 HA SER 117 17.997 -21.116 -25.520 821 HB2 SER 117 1HB SER 117 17.511 -19.877 -23.517 822 HB3 SER 117 2HB SER 117 17.037 -18.451 -24.418 823 HG SER 117 HG SER 117 15.582 -20.838 -24.944 824 H GLY 118 H GLY 118 17.101 -17.776 -26.673 825 HA2 GLY 118 1HA GLY 118 16.663 -17.617 -29.094 826 HA3 GLY 118 2HA GLY 118 15.686 -19.063 -28.933 827 HA PRO 119 HA PRO 119 13.213 -15.227 -28.003 828 HB2 PRO 119 1HB PRO 119 12.098 -14.640 -30.428 829 HB3 PRO 119 2HB PRO 119 13.509 -13.814 -29.797 830 HG2 PRO 119 1HG PRO 119 13.358 -15.864 -31.921 831 HG3 PRO 119 2HG PRO 119 14.655 -14.738 -31.572 832 HD2 PRO 119 1HD PRO 119 14.593 -17.533 -30.934 833 HD3 PRO 119 2HD PRO 119 15.836 -16.383 -30.484 834 H SER 120 H SER 120 11.576 -15.923 -26.794 835 HA SER 120 HA SER 120 9.552 -17.358 -28.272 836 HB2 SER 120 1HB SER 120 11.136 -19.035 -27.168 837 HB3 SER 120 2HB SER 120 10.617 -18.408 -25.616 838 HG SER 120 HG SER 120 9.374 -20.235 -27.223 839 H SER 121 H SER 121 8.159 -15.548 -28.034 840 HA SER 121 HA SER 121 6.820 -15.417 -25.580 841 HB2 SER 121 1HB SER 121 9.093 -13.715 -25.762 842 HB3 SER 121 2HB SER 121 7.705 -12.671 -25.996 843 HG SER 121 HG SER 121 6.830 -13.359 -23.998 844 H GLY 122 H GLY 122 4.724 -14.672 -25.974 845 HA2 GLY 122 1HA GLY 122 3.818 -12.687 -27.538 846 HA3 GLY 122 2HA GLY 122 4.102 -13.956 -28.713 Start of MODEL 14 1 H1 GLY 1 H GLY 1 27.241 -17.865 15.626 2 HA2 GLY 1 1HA GLY 1 27.238 -19.620 13.295 3 HA3 GLY 1 2HA GLY 1 25.678 -19.037 13.842 4 H SER 2 H SER 2 26.690 -18.362 11.288 5 HA SER 2 HA SER 2 27.096 -15.510 11.699 6 HB2 SER 2 1HB SER 2 28.538 -15.559 9.587 7 HB3 SER 2 2HB SER 2 29.263 -16.253 11.024 8 HG SER 2 HG SER 2 29.442 -18.111 9.991 9 H SER 3 H SER 3 26.423 -18.044 9.167 10 HA SER 3 HA SER 3 24.325 -16.260 8.202 11 HB2 SER 3 1HB SER 3 24.635 -17.370 5.978 12 HB3 SER 3 2HB SER 3 26.063 -16.510 6.517 13 HG SER 3 HG SER 3 26.981 -18.536 7.217 14 H GLY 4 H GLY 4 22.508 -17.585 6.998 15 HA2 GLY 4 1HA GLY 4 21.437 -19.450 8.864 16 HA3 GLY 4 2HA GLY 4 20.759 -18.975 7.320 17 H SER 5 H SER 5 21.244 -20.170 5.401 18 HA SER 5 HA SER 5 23.143 -22.273 5.539 19 HB2 SER 5 1HB SER 5 21.309 -23.392 6.717 20 HB3 SER 5 2HB SER 5 20.168 -22.935 5.467 21 HG SER 5 HG SER 5 22.182 -24.946 5.439 22 H SER 6 H SER 6 20.053 -21.317 3.856 23 HA SER 6 HA SER 6 19.577 -20.960 1.770 24 HB2 SER 6 1HB SER 6 22.375 -19.933 1.980 25 HB3 SER 6 2HB SER 6 21.787 -20.186 0.348 26 HG SER 6 HG SER 6 20.475 -18.495 0.530 27 H GLY 7 H GLY 7 19.007 -23.051 1.066 28 HA2 GLY 7 1HA GLY 7 21.172 -24.743 0.004 29 HA3 GLY 7 2HA GLY 7 19.575 -25.275 0.492 30 H ALA 8 H ALA 8 17.946 -25.414 -1.030 31 HA ALA 8 HA ALA 8 18.641 -24.425 -3.701 32 HB1 ALA 8 1HB ALA 8 16.820 -26.654 -2.718 33 HB2 ALA 8 2HB ALA 8 16.906 -26.124 -4.416 34 HB3 ALA 8 3HB ALA 8 18.343 -26.817 -3.625 35 H GLY 9 H GLY 9 16.587 -23.830 -5.045 36 HA2 GLY 9 1HA GLY 9 14.432 -22.905 -5.079 37 HA3 GLY 9 2HA GLY 9 14.550 -22.535 -3.370 38 H GLN 10 H GLN 10 14.189 -20.961 -6.122 39 HA GLN 10 HA GLN 10 16.353 -19.080 -5.763 40 HB2 GLN 10 1HB GLN 10 14.638 -19.914 -7.976 41 HB3 GLN 10 2HB GLN 10 14.622 -18.170 -7.814 42 HG2 GLN 10 1HG GLN 10 16.790 -17.965 -8.510 43 HG3 GLN 10 2HG GLN 10 17.335 -19.294 -7.507 44 HE21 GLN 10 1HE2 GLN 10 17.474 -18.357 -10.479 45 HE22 GLN 10 2HE2 GLN 10 17.257 -19.817 -11.387 46 H VAL 11 H VAL 11 14.119 -19.460 -3.765 47 HA VAL 11 HA VAL 11 12.107 -17.712 -3.806 48 HB VAL 11 HB VAL 11 13.945 -17.896 -1.427 49 HG11 VAL 11 1HG1 VAL 11 11.614 -18.138 -0.313 50 HG12 VAL 11 2HG1 VAL 11 12.121 -16.535 -0.896 51 HG13 VAL 11 3HG1 VAL 11 10.983 -17.511 -1.855 52 HG21 VAL 11 1HG2 VAL 11 12.467 -20.026 -0.965 53 HG22 VAL 11 2HG2 VAL 11 12.330 -20.062 -2.739 54 HG23 VAL 11 3HG2 VAL 11 13.932 -20.143 -1.969 55 H VAL 12 H VAL 12 11.734 -15.483 -3.365 56 HA VAL 12 HA VAL 12 14.162 -13.841 -3.601 57 HB VAL 12 HB VAL 12 12.698 -13.962 -5.633 58 HG11 VAL 12 1HG1 VAL 12 10.507 -14.122 -4.698 59 HG12 VAL 12 2HG1 VAL 12 10.723 -12.623 -3.762 60 HG13 VAL 12 3HG1 VAL 12 10.597 -12.554 -5.536 61 HG21 VAL 12 1HG2 VAL 12 12.833 -11.199 -4.386 62 HG22 VAL 12 2HG2 VAL 12 14.232 -12.050 -5.083 63 HG23 VAL 12 3HG2 VAL 12 12.851 -11.613 -6.117 64 H HIS 13 H HIS 13 13.854 -11.583 -2.668 65 HA HIS 13 HA HIS 13 12.241 -11.840 -0.238 66 HB2 HIS 13 1HB HIS 13 13.818 -10.378 0.845 67 HB3 HIS 13 2HB HIS 13 14.672 -11.727 0.123 68 HD1 HIS 13 1HD HIS 13 16.296 -11.225 -1.849 69 HD2 HIS 13 2HD HIS 13 14.340 -7.840 -0.328 70 HE1 HIS 13 1HE HIS 13 17.499 -9.201 -2.834 71 H THR 14 H THR 14 11.491 -9.613 0.646 72 HA THR 14 HA THR 14 10.826 -7.811 -1.574 73 HB THR 14 HB THR 14 8.504 -7.756 -0.203 74 HG1 THR 14 1HG THR 14 9.261 -9.317 1.371 75 HG21 THR 14 1HG2 THR 14 8.040 -10.113 -1.558 76 HG22 THR 14 2HG2 THR 14 8.031 -8.513 -2.339 77 HG23 THR 14 3HG2 THR 14 9.494 -9.526 -2.401 78 H GLU 15 H GLU 15 10.833 -5.647 -1.099 79 HA GLU 15 HA GLU 15 11.699 -5.073 1.622 80 HB2 GLU 15 1HB GLU 15 12.505 -4.075 -1.046 81 HB3 GLU 15 2HB GLU 15 12.250 -2.795 0.123 82 HG2 GLU 15 1HG GLU 15 13.788 -5.170 1.109 83 HG3 GLU 15 2HG GLU 15 14.592 -4.192 -0.104 84 H THR 16 H THR 16 11.221 -2.356 1.821 85 HA THR 16 HA THR 16 8.400 -1.982 1.131 86 HB THR 16 HB THR 16 8.311 -1.067 3.646 87 HG1 THR 16 1HG THR 16 9.902 -2.151 4.905 88 HG21 THR 16 1HG2 THR 16 6.876 -2.932 3.138 89 HG22 THR 16 2HG2 THR 16 8.259 -3.992 2.775 90 HG23 THR 16 3HG2 THR 16 7.921 -3.515 4.456 91 H THR 17 H THR 17 7.722 0.203 0.994 92 HA THR 17 HA THR 17 9.970 2.108 1.014 93 HB THR 17 HB THR 17 9.413 1.493 -1.305 94 HG1 THR 17 1HG THR 17 8.038 3.949 -0.476 95 HG21 THR 17 1HG2 THR 17 7.022 2.279 -2.063 96 HG22 THR 17 2HG2 THR 17 7.164 0.677 -1.301 97 HG23 THR 17 3HG2 THR 17 6.576 2.065 -0.354 98 H GLU 18 H GLU 18 9.365 4.372 1.363 99 HA GLU 18 HA GLU 18 7.011 4.457 3.081 100 HB2 GLU 18 1HB GLU 18 8.881 4.934 4.447 101 HB3 GLU 18 2HB GLU 18 9.692 5.855 3.197 102 HG2 GLU 18 1HG GLU 18 7.972 7.651 3.384 103 HG3 GLU 18 2HG GLU 18 7.123 6.725 4.605 104 H VAL 19 H VAL 19 5.287 5.536 2.238 105 HA VAL 19 HA VAL 19 5.847 7.509 0.147 106 HB VAL 19 HB VAL 19 3.202 6.236 0.838 107 HG11 VAL 19 1HG1 VAL 19 3.967 7.101 -1.916 108 HG12 VAL 19 2HG1 VAL 19 2.390 7.151 -1.093 109 HG13 VAL 19 3HG1 VAL 19 3.631 8.370 -0.714 110 HG21 VAL 19 1HG2 VAL 19 4.210 5.024 -1.497 111 HG22 VAL 19 2HG2 VAL 19 5.538 4.972 -0.312 112 HG23 VAL 19 3HG2 VAL 19 3.954 4.270 0.094 113 H VAL 20 H VAL 20 5.249 9.651 0.376 114 HA VAL 20 HA VAL 20 3.922 10.317 2.913 115 HB VAL 20 HB VAL 20 6.250 11.661 1.535 116 HG11 VAL 20 1HG1 VAL 20 6.106 13.483 3.020 117 HG12 VAL 20 2HG1 VAL 20 4.437 13.232 2.455 118 HG13 VAL 20 3HG1 VAL 20 4.928 12.654 4.066 119 HG21 VAL 20 1HG2 VAL 20 5.980 9.793 3.756 120 HG22 VAL 20 2HG2 VAL 20 7.437 10.331 2.887 121 HG23 VAL 20 3HG2 VAL 20 6.806 11.292 4.246 122 H LEU 21 H LEU 21 1.921 11.084 2.492 123 HA LEU 21 HA LEU 21 1.608 12.645 0.022 124 HB2 LEU 21 1HB LEU 21 -0.483 11.000 1.451 125 HB3 LEU 21 2HB LEU 21 -0.690 11.889 -0.045 126 HG LEU 21 HG LEU 21 1.324 9.652 0.206 127 HD11 LEU 21 1HD1 LEU 21 -0.255 8.098 0.258 128 HD12 LEU 21 2HD1 LEU 21 -1.488 9.371 0.432 129 HD13 LEU 21 3HD1 LEU 21 -1.026 8.795 -1.188 130 HD21 LEU 21 1HD2 LEU 21 1.701 11.034 -1.702 131 HD22 LEU 21 2HD2 LEU 21 0.943 9.527 -2.269 132 HD23 LEU 21 3HD2 LEU 21 -0.025 11.015 -2.135 133 H THR 22 H THR 22 0.779 14.702 0.173 134 HA THR 22 HA THR 22 0.336 15.657 2.909 135 HB THR 22 HB THR 22 0.750 17.282 0.357 136 HG1 THR 22 1HG THR 22 2.995 16.983 0.833 137 HG21 THR 22 1HG2 THR 22 1.483 17.784 3.289 138 HG22 THR 22 2HG2 THR 22 1.737 18.911 1.935 139 HG23 THR 22 3HG2 THR 22 0.085 18.513 2.465 140 H ALA 23 H ALA 23 -1.714 15.550 3.588 141 HA ALA 23 HA ALA 23 -3.938 15.181 2.122 142 HB1 ALA 23 1HB ALA 23 -3.881 17.054 4.506 143 HB2 ALA 23 2HB ALA 23 -5.145 15.891 4.039 144 HB3 ALA 23 3HB ALA 23 -3.588 15.306 4.672 145 H ASP 24 H ASP 24 -4.255 16.217 0.171 146 HA ASP 24 HA ASP 24 -3.558 18.748 -0.440 147 HB2 ASP 24 1HB ASP 24 -5.172 16.669 -1.565 148 HB3 ASP 24 2HB ASP 24 -6.135 18.131 -1.654 149 HA PRO 25 HA PRO 25 -6.628 21.329 1.350 150 HB2 PRO 25 1HB PRO 25 -7.321 23.120 -0.595 151 HB3 PRO 25 2HB PRO 25 -5.840 23.240 0.335 152 HG2 PRO 25 1HG PRO 25 -6.205 22.359 -2.463 153 HG3 PRO 25 2HG PRO 25 -4.739 22.888 -1.660 154 HD2 PRO 25 1HD PRO 25 -5.478 20.187 -2.281 155 HD3 PRO 25 2HD PRO 25 -4.069 20.707 -1.377 156 H VAL 26 H VAL 26 -7.534 19.405 -1.257 157 HA VAL 26 HA VAL 26 -10.311 19.646 -0.351 158 HB VAL 26 HB VAL 26 -9.204 19.772 -3.139 159 HG11 VAL 26 1HG1 VAL 26 -12.061 19.010 -2.446 160 HG12 VAL 26 2HG1 VAL 26 -11.378 19.244 -4.073 161 HG13 VAL 26 3HG1 VAL 26 -10.826 17.886 -3.063 162 HG21 VAL 26 1HG2 VAL 26 -9.759 21.853 -1.858 163 HG22 VAL 26 2HG2 VAL 26 -10.676 21.663 -3.372 164 HG23 VAL 26 3HG2 VAL 26 -11.455 21.314 -1.810 165 H THR 27 H THR 27 -8.141 17.695 -2.527 166 HA THR 27 HA THR 27 -9.450 15.290 -1.496 167 HB THR 27 HB THR 27 -8.166 14.276 -3.480 168 HG1 THR 27 1HG THR 27 -7.129 15.883 -4.809 169 HG21 THR 27 1HG2 THR 27 -9.811 14.902 -4.995 170 HG22 THR 27 2HG2 THR 27 -10.564 15.605 -3.544 171 HG23 THR 27 3HG2 THR 27 -9.611 16.634 -4.640 172 H GLY 28 H GLY 28 -8.361 15.841 0.654 173 HA2 GLY 28 1HA GLY 28 -5.919 15.977 1.460 174 HA3 GLY 28 2HA GLY 28 -6.935 14.691 2.082 175 H PHE 29 H PHE 29 -6.708 12.512 1.279 176 HA PHE 29 HA PHE 29 -4.215 12.137 -0.225 177 HB2 PHE 29 1HB PHE 29 -5.644 10.187 1.665 178 HB3 PHE 29 2HB PHE 29 -3.984 10.084 1.114 179 HD1 PHE 29 2HD PHE 29 -2.419 12.046 1.835 180 HD2 PHE 29 1HD PHE 29 -6.102 11.134 3.734 181 HE1 PHE 29 2HE PHE 29 -1.660 13.266 3.893 182 HE2 PHE 29 1HE PHE 29 -5.343 12.354 5.792 183 HZ PHE 29 HZ PHE 29 -3.131 13.405 5.847 184 H GLY 30 H GLY 30 -7.669 11.594 -0.064 185 HA2 GLY 30 1HA GLY 30 -9.077 10.287 -1.267 186 HA3 GLY 30 2HA GLY 30 -8.115 10.875 -2.608 187 H ILE 31 H ILE 31 -8.043 8.333 -0.011 188 HA ILE 31 HA ILE 31 -7.060 6.483 -2.060 189 HB ILE 31 HB ILE 31 -6.039 6.643 0.777 190 HG12 ILE 31 1HG1 ILE 31 -4.962 7.735 -1.811 191 HG13 ILE 31 2HG1 ILE 31 -5.094 8.517 -0.248 192 HG21 ILE 31 1HG2 ILE 31 -4.710 4.816 0.347 193 HG22 ILE 31 2HG2 ILE 31 -6.182 4.392 -0.559 194 HG23 ILE 31 3HG2 ILE 31 -4.767 5.046 -1.417 195 HD11 ILE 31 1HD1 ILE 31 -3.191 6.239 -0.963 196 HD12 ILE 31 2HD1 ILE 31 -2.750 7.938 -0.672 197 HD13 ILE 31 3HD1 ILE 31 -3.364 6.937 0.666 198 H GLN 32 H GLN 32 -7.828 4.330 -1.869 199 HA GLN 32 HA GLN 32 -9.851 4.005 0.203 200 HB2 GLN 32 1HB GLN 32 -10.129 3.807 -2.758 201 HB3 GLN 32 2HB GLN 32 -10.877 2.504 -1.857 202 HG2 GLN 32 1HG GLN 32 -11.399 5.158 -0.661 203 HG3 GLN 32 2HG GLN 32 -11.988 5.034 -2.307 204 HE21 GLN 32 1HE2 GLN 32 -13.949 4.305 -2.542 205 HE22 GLN 32 2HE2 GLN 32 -14.814 3.243 -1.483 206 H LEU 33 H LEU 33 -10.105 1.845 1.023 207 HA LEU 33 HA LEU 33 -7.961 0.031 0.155 208 HB2 LEU 33 1HB LEU 33 -9.132 0.231 2.928 209 HB3 LEU 33 2HB LEU 33 -7.764 -0.735 2.413 210 HG LEU 33 HG LEU 33 -7.644 2.247 2.094 211 HD11 LEU 33 1HD1 LEU 33 -7.127 0.781 4.696 212 HD12 LEU 33 2HD1 LEU 33 -6.754 2.489 4.363 213 HD13 LEU 33 3HD1 LEU 33 -8.445 1.934 4.378 214 HD21 LEU 33 1HD2 LEU 33 -5.914 0.281 1.409 215 HD22 LEU 33 2HD2 LEU 33 -5.431 1.946 1.811 216 HD23 LEU 33 3HD2 LEU 33 -5.331 0.668 3.045 217 H GLN 34 H GLN 34 -8.500 -2.339 0.642 218 HA GLN 34 HA GLN 34 -11.347 -2.714 0.118 219 HB2 GLN 34 1HB GLN 34 -10.675 -4.758 -1.176 220 HB3 GLN 34 2HB GLN 34 -10.077 -3.268 -1.878 221 HG2 GLN 34 1HG GLN 34 -7.953 -4.040 -1.735 222 HG3 GLN 34 2HG GLN 34 -8.099 -4.141 0.009 223 HE21 GLN 34 1HE2 GLN 34 -8.169 -6.051 0.976 224 HE22 GLN 34 2HE2 GLN 34 -8.271 -7.593 0.194 225 H GLY 35 H GLY 35 -12.169 -4.954 0.811 226 HA2 GLY 35 1HA GLY 35 -10.636 -6.246 2.912 227 HA3 GLY 35 2HA GLY 35 -12.065 -5.385 3.448 228 H SER 36 H SER 36 -12.979 -7.469 4.117 229 HA SER 36 HA SER 36 -14.343 -8.689 1.894 230 HB2 SER 36 1HB SER 36 -12.122 -9.959 3.249 231 HB3 SER 36 2HB SER 36 -13.585 -10.853 3.616 232 HG SER 36 HG SER 36 -12.138 -10.948 1.359 233 H VAL 37 H VAL 37 -16.265 -9.962 2.630 234 HA VAL 37 HA VAL 37 -17.724 -8.680 4.555 235 HB VAL 37 HB VAL 37 -18.692 -10.056 2.837 236 HG11 VAL 37 1HG1 VAL 37 -17.807 -12.571 4.248 237 HG12 VAL 37 2HG1 VAL 37 -18.410 -12.362 2.586 238 HG13 VAL 37 3HG1 VAL 37 -16.777 -11.800 3.018 239 HG21 VAL 37 1HG2 VAL 37 -20.452 -11.016 4.065 240 HG22 VAL 37 2HG2 VAL 37 -19.390 -11.447 5.427 241 HG23 VAL 37 3HG2 VAL 37 -19.814 -9.744 5.134 242 H PHE 38 H PHE 38 -16.003 -11.868 4.877 243 HA PHE 38 HA PHE 38 -15.534 -11.205 7.666 244 HB2 PHE 38 1HB PHE 38 -17.493 -13.116 6.582 245 HB3 PHE 38 2HB PHE 38 -16.270 -13.990 7.483 246 HD1 PHE 38 1HD PHE 38 -15.979 -13.593 9.891 247 HD2 PHE 38 2HD PHE 38 -19.056 -11.661 7.699 248 HE1 PHE 38 1HE PHE 38 -17.140 -13.006 12.038 249 HE2 PHE 38 2HE PHE 38 -20.217 -11.074 9.845 250 HZ PHE 38 HZ PHE 38 -19.245 -11.754 11.989 251 H ALA 39 H ALA 39 -14.156 -13.140 8.676 252 HA ALA 39 HA ALA 39 -12.674 -14.777 6.976 253 HB1 ALA 39 1HB ALA 39 -11.905 -12.047 6.821 254 HB2 ALA 39 2HB ALA 39 -10.658 -12.869 7.789 255 HB3 ALA 39 3HB ALA 39 -11.050 -13.460 6.156 256 H THR 40 H THR 40 -10.194 -14.765 8.422 257 HA THR 40 HA THR 40 -10.960 -16.216 10.695 258 HB THR 40 HB THR 40 -8.319 -14.973 9.769 259 HG1 THR 40 1HG THR 40 -8.149 -17.081 8.869 260 HG21 THR 40 1HG2 THR 40 -8.391 -15.609 12.276 261 HG22 THR 40 2HG2 THR 40 -8.727 -17.273 11.740 262 HG23 THR 40 3HG2 THR 40 -7.194 -16.486 11.292 263 H GLU 41 H GLU 41 -8.926 -13.227 10.805 264 HA GLU 41 HA GLU 41 -10.412 -12.580 13.229 265 HB2 GLU 41 1HB GLU 41 -7.993 -13.070 13.569 266 HB3 GLU 41 2HB GLU 41 -7.570 -11.799 12.439 267 HG2 GLU 41 1HG GLU 41 -7.499 -10.439 14.270 268 HG3 GLU 41 2HG GLU 41 -9.249 -10.434 14.164 269 H THR 42 H THR 42 -8.320 -10.757 10.874 270 HA THR 42 HA THR 42 -10.443 -8.720 10.784 271 HB THR 42 HB THR 42 -8.333 -7.908 11.749 272 HG1 THR 42 1HG THR 42 -8.092 -6.242 10.146 273 HG21 THR 42 1HG2 THR 42 -6.545 -9.258 10.989 274 HG22 THR 42 2HG2 THR 42 -7.160 -9.296 9.319 275 HG23 THR 42 3HG2 THR 42 -6.371 -7.828 9.945 276 H LEU 43 H LEU 43 -8.288 -7.963 8.414 277 HA LEU 43 HA LEU 43 -10.102 -8.967 6.406 278 HB2 LEU 43 1HB LEU 43 -7.634 -7.342 5.888 279 HB3 LEU 43 2HB LEU 43 -9.117 -7.428 4.958 280 HG LEU 43 HG LEU 43 -8.724 -6.069 7.636 281 HD11 LEU 43 1HD1 LEU 43 -9.121 -5.070 4.817 282 HD12 LEU 43 2HD1 LEU 43 -9.480 -4.060 6.239 283 HD13 LEU 43 3HD1 LEU 43 -7.830 -4.676 5.978 284 HD21 LEU 43 1HD2 LEU 43 -11.290 -6.114 6.040 285 HD22 LEU 43 2HD2 LEU 43 -10.953 -7.248 7.370 286 HD23 LEU 43 3HD2 LEU 43 -11.016 -5.497 7.687 287 H SER 44 H SER 44 -7.928 -10.555 8.111 288 HA SER 44 HA SER 44 -6.336 -12.038 7.751 289 HB2 SER 44 1HB SER 44 -8.791 -12.769 6.379 290 HB3 SER 44 2HB SER 44 -7.427 -13.481 5.541 291 HG SER 44 HG SER 44 -7.512 -13.658 8.395 292 H SER 45 H SER 45 -5.814 -9.556 6.296 293 HA SER 45 HA SER 45 -3.691 -10.292 4.797 294 HB2 SER 45 1HB SER 45 -4.474 -10.976 2.794 295 HB3 SER 45 2HB SER 45 -6.125 -10.689 3.306 296 HG SER 45 HG SER 45 -6.093 -8.632 2.452 297 HA PRO 46 HA PRO 46 -3.287 -5.957 4.808 298 HB2 PRO 46 1HB PRO 46 -1.701 -5.388 2.657 299 HB3 PRO 46 2HB PRO 46 -1.077 -6.023 4.166 300 HG2 PRO 46 1HG PRO 46 -1.474 -7.420 1.592 301 HG3 PRO 46 2HG PRO 46 -0.482 -7.894 2.956 302 HD2 PRO 46 1HD PRO 46 -3.038 -8.978 2.235 303 HD3 PRO 46 2HD PRO 46 -2.099 -9.368 3.662 304 HA PRO 47 HA PRO 47 -6.317 -4.141 2.445 305 HB2 PRO 47 1HB PRO 47 -6.109 -1.546 3.276 306 HB3 PRO 47 2HB PRO 47 -6.984 -2.772 4.172 307 HG2 PRO 47 1HG PRO 47 -4.340 -1.585 4.754 308 HG3 PRO 47 2HG PRO 47 -5.405 -2.471 5.826 309 HD2 PRO 47 1HD PRO 47 -3.025 -3.462 4.569 310 HD3 PRO 47 2HD PRO 47 -4.153 -4.379 5.548 311 H LEU 48 H LEU 48 -5.701 -4.497 0.340 312 HA LEU 48 HA LEU 48 -3.622 -2.852 -0.726 313 HB2 LEU 48 1HB LEU 48 -5.568 -4.574 -2.250 314 HB3 LEU 48 2HB LEU 48 -3.975 -4.041 -2.749 315 HG LEU 48 HG LEU 48 -4.208 -5.742 -0.293 316 HD11 LEU 48 1HD1 LEU 48 -5.543 -7.096 -1.621 317 HD12 LEU 48 2HD1 LEU 48 -4.676 -6.668 -3.116 318 HD13 LEU 48 3HD1 LEU 48 -3.910 -7.739 -1.918 319 HD21 LEU 48 1HD2 LEU 48 -2.046 -6.652 -1.321 320 HD22 LEU 48 2HD2 LEU 48 -2.140 -5.268 -2.436 321 HD23 LEU 48 3HD2 LEU 48 -2.024 -4.991 -0.682 322 H ILE 49 H ILE 49 -3.803 -0.828 -1.525 323 HA ILE 49 HA ILE 49 -5.964 0.742 -1.278 324 HB ILE 49 HB ILE 49 -3.624 0.752 -3.129 325 HG12 ILE 49 1HG1 ILE 49 -4.521 2.808 -1.101 326 HG13 ILE 49 2HG1 ILE 49 -3.578 1.399 -0.660 327 HG21 ILE 49 1HG2 ILE 49 -5.479 1.630 -4.491 328 HG22 ILE 49 2HG2 ILE 49 -5.830 2.828 -3.223 329 HG23 ILE 49 3HG2 ILE 49 -4.278 2.882 -4.093 330 HD11 ILE 49 1HD1 ILE 49 -1.697 2.481 -1.293 331 HD12 ILE 49 2HD1 ILE 49 -2.312 2.539 -2.963 332 HD13 ILE 49 3HD1 ILE 49 -2.666 3.872 -1.838 333 H SER 50 H SER 50 -8.031 0.278 -1.839 334 HA SER 50 HA SER 50 -8.658 -1.364 -3.990 335 HB2 SER 50 1HB SER 50 -10.317 -1.278 -2.343 336 HB3 SER 50 2HB SER 50 -10.189 0.459 -2.146 337 HG SER 50 HG SER 50 -11.079 -0.498 -4.677 338 H TYR 51 H TYR 51 -8.944 2.235 -3.536 339 HA TYR 51 HA TYR 51 -8.585 2.532 -6.417 340 HB2 TYR 51 1HB TYR 51 -11.067 2.482 -5.803 341 HB3 TYR 51 2HB TYR 51 -10.784 3.761 -4.639 342 HD1 TYR 51 2HD TYR 51 -10.667 2.983 -8.283 343 HD2 TYR 51 1HD TYR 51 -10.844 6.037 -5.292 344 HE1 TYR 51 2HE TYR 51 -11.116 4.727 -10.079 345 HE2 TYR 51 1HE TYR 51 -11.293 7.770 -7.097 346 HH TYR 51 HH TYR 51 -11.878 8.053 -9.210 347 H ILE 52 H ILE 52 -8.067 4.821 -7.022 348 HA ILE 52 HA ILE 52 -7.013 6.326 -4.739 349 HB ILE 52 HB ILE 52 -5.548 5.783 -7.325 350 HG12 ILE 52 1HG1 ILE 52 -4.755 4.858 -4.559 351 HG13 ILE 52 2HG1 ILE 52 -5.747 3.876 -5.618 352 HG21 ILE 52 1HG2 ILE 52 -5.212 8.056 -6.315 353 HG22 ILE 52 2HG2 ILE 52 -4.562 7.249 -4.867 354 HG23 ILE 52 3HG2 ILE 52 -3.741 7.060 -6.435 355 HD11 ILE 52 1HD1 ILE 52 -3.890 3.176 -6.701 356 HD12 ILE 52 2HD1 ILE 52 -3.550 4.853 -7.191 357 HD13 ILE 52 3HD1 ILE 52 -2.888 4.220 -5.665 358 H GLU 53 H GLU 53 -8.164 8.177 -4.668 359 HA GLU 53 HA GLU 53 -9.768 9.094 -6.645 360 HB2 GLU 53 1HB GLU 53 -9.053 9.900 -4.069 361 HB3 GLU 53 2HB GLU 53 -8.565 11.269 -5.048 362 HG2 GLU 53 1HG GLU 53 -11.087 10.543 -6.093 363 HG3 GLU 53 2HG GLU 53 -11.270 10.344 -4.361 364 H ALA 54 H ALA 54 -9.620 10.847 -8.210 365 HA ALA 54 HA ALA 54 -6.992 10.963 -9.406 366 HB1 ALA 54 1HB ALA 54 -8.534 12.445 -11.036 367 HB2 ALA 54 2HB ALA 54 -8.549 10.665 -11.071 368 HB3 ALA 54 3HB ALA 54 -9.820 11.549 -10.192 369 H ASP 55 H ASP 55 -6.113 13.112 -10.162 370 HA ASP 55 HA ASP 55 -5.292 15.059 -9.672 371 HB2 ASP 55 1HB ASP 55 -7.976 15.470 -9.942 372 HB3 ASP 55 2HB ASP 55 -7.776 16.037 -8.296 373 H SER 56 H SER 56 -5.507 12.836 -7.524 374 HA SER 56 HA SER 56 -5.417 14.498 -5.145 375 HB2 SER 56 1HB SER 56 -6.349 12.742 -4.066 376 HB3 SER 56 2HB SER 56 -6.582 12.002 -5.637 377 HG SER 56 HG SER 56 -5.163 10.508 -5.089 378 HA PRO 57 HA PRO 57 -1.132 13.866 -4.714 379 HB2 PRO 57 1HB PRO 57 -0.744 13.547 -2.028 380 HB3 PRO 57 2HB PRO 57 -1.010 15.107 -2.779 381 HG2 PRO 57 1HG PRO 57 -2.882 13.481 -1.170 382 HG3 PRO 57 2HG PRO 57 -2.968 15.187 -1.561 383 HD2 PRO 57 1HD PRO 57 -4.499 13.074 -2.753 384 HD3 PRO 57 2HD PRO 57 -4.499 14.762 -3.223 385 H ALA 58 H ALA 58 -3.154 11.370 -3.499 386 HA ALA 58 HA ALA 58 -1.066 9.509 -3.056 387 HB1 ALA 58 1HB ALA 58 -2.933 7.893 -2.939 388 HB2 ALA 58 2HB ALA 58 -3.290 9.361 -1.999 389 HB3 ALA 58 3HB ALA 58 -4.039 9.123 -3.596 390 H GLU 59 H GLU 59 -2.860 10.665 -5.879 391 HA GLU 59 HA GLU 59 -1.830 8.450 -7.433 392 HB2 GLU 59 1HB GLU 59 -4.256 9.249 -7.606 393 HB3 GLU 59 2HB GLU 59 -3.650 10.709 -8.363 394 HG2 GLU 59 1HG GLU 59 -3.791 9.569 -10.329 395 HG3 GLU 59 2HG GLU 59 -2.338 8.735 -9.816 396 H ARG 60 H ARG 60 -1.515 11.968 -6.925 397 HA ARG 60 HA ARG 60 -0.297 12.803 -9.125 398 HB2 ARG 60 1HB ARG 60 0.109 13.411 -6.199 399 HB3 ARG 60 2HB ARG 60 1.266 14.097 -7.322 400 HG2 ARG 60 1HG ARG 60 -1.253 14.556 -8.532 401 HG3 ARG 60 2HG ARG 60 -1.521 14.872 -6.829 402 HD2 ARG 60 1HD ARG 60 -0.756 16.907 -8.113 403 HD3 ARG 60 2HD ARG 60 0.290 16.509 -6.765 404 HE ARG 60 HE ARG 60 1.283 15.150 -9.069 405 HH11 ARG 60 2HH2 ARG 60 0.929 18.431 -7.847 406 HH12 ARG 60 1HH2 ARG 60 2.289 19.042 -8.728 407 HH21 ARG 60 2HH1 ARG 60 3.079 15.956 -10.231 408 HH22 ARG 60 1HH1 ARG 60 3.521 17.625 -10.092 409 H CYS 61 H CYS 61 1.456 11.348 -6.275 410 HA CYS 61 HA CYS 61 3.936 11.270 -7.511 411 HB2 CYS 61 1HB CYS 61 2.894 9.435 -5.328 412 HB3 CYS 61 2HB CYS 61 4.577 9.715 -5.730 413 HG CYS 61 HG CYS 61 3.276 11.011 -3.522 414 H GLY 62 H GLY 62 1.205 8.910 -7.320 415 HA2 GLY 62 1HA GLY 62 0.627 7.347 -8.888 416 HA3 GLY 62 2HA GLY 62 2.120 7.638 -9.758 417 H VAL 63 H VAL 63 3.461 7.407 -6.863 418 HA VAL 63 HA VAL 63 4.511 4.898 -7.185 419 HB VAL 63 HB VAL 63 5.196 5.117 -4.823 420 HG11 VAL 63 1HG1 VAL 63 5.529 7.844 -6.041 421 HG12 VAL 63 2HG1 VAL 63 6.725 6.804 -5.230 422 HG13 VAL 63 3HG1 VAL 63 6.185 6.420 -6.883 423 HG21 VAL 63 1HG2 VAL 63 3.142 7.314 -4.862 424 HG22 VAL 63 2HG2 VAL 63 3.445 6.062 -3.633 425 HG23 VAL 63 3HG2 VAL 63 4.559 7.441 -3.793 426 H LEU 64 H LEU 64 1.584 5.943 -5.361 427 HA LEU 64 HA LEU 64 1.108 3.297 -4.385 428 HB2 LEU 64 1HB LEU 64 -0.747 5.678 -4.436 429 HB3 LEU 64 2HB LEU 64 -0.902 4.237 -3.451 430 HG LEU 64 HG LEU 64 1.466 6.102 -3.218 431 HD11 LEU 64 1HD1 LEU 64 -1.256 6.651 -2.498 432 HD12 LEU 64 2HD1 LEU 64 -0.274 6.487 -1.022 433 HD13 LEU 64 3HD1 LEU 64 0.197 7.656 -2.279 434 HD21 LEU 64 1HD2 LEU 64 1.879 5.046 -1.132 435 HD22 LEU 64 2HD2 LEU 64 0.318 4.192 -1.173 436 HD23 LEU 64 3HD2 LEU 64 1.606 3.749 -2.320 437 H GLN 65 H GLN 65 0.674 1.713 -5.845 438 HA GLN 65 HA GLN 65 -0.923 2.425 -8.140 439 HB2 GLN 65 1HB GLN 65 1.153 1.085 -8.447 440 HB3 GLN 65 2HB GLN 65 0.496 -0.180 -7.428 441 HG2 GLN 65 1HG GLN 65 -0.687 -1.055 -9.157 442 HG3 GLN 65 2HG GLN 65 -1.440 0.491 -9.495 443 HE21 GLN 65 1HE2 GLN 65 -0.671 -1.383 -11.430 444 HE22 GLN 65 2HE2 GLN 65 0.570 -0.708 -12.432 445 H ILE 66 H ILE 66 -2.936 1.388 -8.667 446 HA ILE 66 HA ILE 66 -4.652 0.986 -6.558 447 HB ILE 66 HB ILE 66 -4.756 0.135 -9.445 448 HG12 ILE 66 1HG1 ILE 66 -4.741 2.607 -8.661 449 HG13 ILE 66 2HG1 ILE 66 -5.922 2.090 -9.847 450 HG21 ILE 66 1HG2 ILE 66 -7.374 0.219 -8.500 451 HG22 ILE 66 2HG2 ILE 66 -6.442 -1.228 -8.954 452 HG23 ILE 66 3HG2 ILE 66 -6.481 -0.691 -7.258 453 HD11 ILE 66 1HD1 ILE 66 -6.711 1.845 -6.959 454 HD12 ILE 66 2HD1 ILE 66 -6.622 3.483 -7.650 455 HD13 ILE 66 3HD1 ILE 66 -7.704 2.269 -8.375 456 H GLY 67 H GLY 67 -4.428 -0.489 -4.958 457 HA2 GLY 67 1HA GLY 67 -4.765 -2.691 -4.238 458 HA3 GLY 67 2HA GLY 67 -4.137 -3.299 -5.757 459 H ASP 68 H ASP 68 -2.557 -0.640 -3.967 460 HA ASP 68 HA ASP 68 -0.085 -1.774 -4.090 461 HB2 ASP 68 1HB ASP 68 -1.291 0.558 -2.978 462 HB3 ASP 68 2HB ASP 68 -0.385 -0.167 -1.666 463 H ARG 69 H ARG 69 1.171 -1.936 -1.651 464 HA ARG 69 HA ARG 69 -0.404 -3.925 -0.221 465 HB2 ARG 69 1HB ARG 69 2.639 -3.913 -0.296 466 HB3 ARG 69 2HB ARG 69 1.576 -5.241 0.127 467 HG2 ARG 69 1HG ARG 69 2.364 -5.727 -2.087 468 HG3 ARG 69 2HG ARG 69 0.708 -5.191 -2.285 469 HD2 ARG 69 1HD ARG 69 1.322 -3.293 -3.425 470 HD3 ARG 69 2HD ARG 69 2.672 -2.966 -2.357 471 HE ARG 69 HE ARG 69 3.259 -5.290 -3.950 472 HH11 ARG 69 2HH2 ARG 69 2.980 -1.792 -4.209 473 HH12 ARG 69 1HH2 ARG 69 4.086 -1.673 -5.537 474 HH21 ARG 69 2HH1 ARG 69 4.718 -5.134 -5.702 475 HH22 ARG 69 1HH1 ARG 69 5.081 -3.588 -6.392 476 H VAL 70 H VAL 70 -1.080 -1.830 0.973 477 HA VAL 70 HA VAL 70 0.835 -0.420 2.478 478 HB VAL 70 HB VAL 70 -1.482 0.294 1.763 479 HG11 VAL 70 1HG1 VAL 70 -2.492 -0.983 4.293 480 HG12 VAL 70 2HG1 VAL 70 -3.397 -0.393 2.878 481 HG13 VAL 70 3HG1 VAL 70 -2.471 -1.910 2.773 482 HG21 VAL 70 1HG2 VAL 70 -1.302 0.778 4.700 483 HG22 VAL 70 2HG2 VAL 70 0.108 1.226 3.710 484 HG23 VAL 70 3HG2 VAL 70 -1.489 1.929 3.354 485 H MET 71 H MET 71 2.198 -1.703 3.714 486 HA MET 71 HA MET 71 1.211 -3.887 5.178 487 HB2 MET 71 1HB MET 71 3.791 -2.327 5.709 488 HB3 MET 71 2HB MET 71 3.507 -4.031 6.006 489 HG2 MET 71 1HG MET 71 2.969 -3.473 3.206 490 HG3 MET 71 2HG MET 71 4.537 -2.809 3.621 491 HE1 MET 71 1HE MET 71 2.143 -5.534 4.119 492 HE2 MET 71 2HE MET 71 2.995 -7.014 3.616 493 HE3 MET 71 3HE MET 71 3.072 -6.475 5.311 494 H ALA 72 H ALA 72 1.701 -0.425 5.854 495 HA ALA 72 HA ALA 72 0.270 -0.772 8.348 496 HB1 ALA 72 1HB ALA 72 2.275 -0.887 9.451 497 HB2 ALA 72 2HB ALA 72 3.170 -0.094 8.132 498 HB3 ALA 72 3HB ALA 72 2.204 0.881 9.265 499 H ILE 73 H ILE 73 0.510 1.823 9.332 500 HA ILE 73 HA ILE 73 0.182 3.680 7.170 501 HB ILE 73 HB ILE 73 -2.192 2.828 8.827 502 HG12 ILE 73 1HG1 ILE 73 -1.548 2.657 5.877 503 HG13 ILE 73 2HG1 ILE 73 -1.886 1.342 6.984 504 HG21 ILE 73 1HG2 ILE 73 -2.738 4.814 6.786 505 HG22 ILE 73 2HG2 ILE 73 -3.163 4.802 8.515 506 HG23 ILE 73 3HG2 ILE 73 -1.578 5.421 7.991 507 HD11 ILE 73 1HD1 ILE 73 -3.989 1.535 6.049 508 HD12 ILE 73 2HD1 ILE 73 -4.174 2.752 7.335 509 HD13 ILE 73 3HD1 ILE 73 -3.778 3.263 5.677 510 H ASN 74 H ASN 74 1.744 5.001 8.051 511 HA ASN 74 HA ASN 74 2.456 6.637 9.307 512 HB2 ASN 74 1HB ASN 74 -0.284 6.502 10.124 513 HB3 ASN 74 2HB ASN 74 0.645 6.582 11.608 514 HD21 ASN 74 1HD2 ASN 74 -0.323 8.194 8.711 515 HD22 ASN 74 2HD2 ASN 74 0.317 9.766 9.055 516 H GLY 75 H GLY 75 2.476 3.487 9.894 517 HA2 GLY 75 1HA GLY 75 4.262 2.568 11.190 518 HA3 GLY 75 2HA GLY 75 3.921 3.728 12.459 519 H ILE 76 H ILE 76 0.898 2.922 11.335 520 HA ILE 76 HA ILE 76 0.490 1.118 13.548 521 HB ILE 76 HB ILE 76 -1.427 2.353 11.568 522 HG12 ILE 76 1HG1 ILE 76 -0.113 3.891 13.134 523 HG13 ILE 76 2HG1 ILE 76 -1.859 4.037 13.128 524 HG21 ILE 76 1HG2 ILE 76 -3.167 1.707 13.216 525 HG22 ILE 76 2HG2 ILE 76 -2.375 0.317 12.436 526 HG23 ILE 76 3HG2 ILE 76 -1.938 0.772 14.101 527 HD11 ILE 76 1HD1 ILE 76 -0.729 2.064 15.075 528 HD12 ILE 76 2HD1 ILE 76 -0.405 3.782 15.409 529 HD13 ILE 76 3HD1 ILE 76 -2.082 3.205 15.267 530 HA PRO 77 HA PRO 77 0.760 -2.401 11.028 531 HB2 PRO 77 1HB PRO 77 0.002 -4.274 12.868 532 HB3 PRO 77 2HB PRO 77 1.635 -3.650 12.753 533 HG2 PRO 77 1HG PRO 77 -0.447 -3.034 14.759 534 HG3 PRO 77 2HG PRO 77 1.283 -2.769 14.855 535 HD2 PRO 77 1HD PRO 77 -0.730 -0.791 14.344 536 HD3 PRO 77 2HD PRO 77 1.006 -0.549 14.326 537 H THR 78 H THR 78 -0.606 -2.399 9.338 538 HA THR 78 HA THR 78 -3.431 -2.550 9.937 539 HB THR 78 HB THR 78 -3.401 -2.544 7.298 540 HG1 THR 78 1HG THR 78 -1.241 -1.814 6.586 541 HG21 THR 78 1HG2 THR 78 -1.911 -0.183 8.501 542 HG22 THR 78 2HG2 THR 78 -3.159 -0.180 7.233 543 HG23 THR 78 3HG2 THR 78 -3.615 -0.467 8.929 544 H GLU 79 H GLU 79 -2.761 -4.700 11.161 545 HA GLU 79 HA GLU 79 -3.713 -6.749 9.410 546 HB2 GLU 79 1HB GLU 79 -0.890 -6.551 10.047 547 HB3 GLU 79 2HB GLU 79 -1.540 -8.006 10.775 548 HG2 GLU 79 1HG GLU 79 -2.613 -8.545 8.509 549 HG3 GLU 79 2HG GLU 79 -1.712 -7.200 7.837 550 H ASP 80 H ASP 80 -4.950 -5.397 11.558 551 HA ASP 80 HA ASP 80 -5.610 -7.602 13.161 552 HB2 ASP 80 1HB ASP 80 -3.492 -6.851 14.298 553 HB3 ASP 80 2HB ASP 80 -4.197 -5.263 14.529 554 H SER 81 H SER 81 -5.444 -3.990 12.862 555 HA SER 81 HA SER 81 -7.782 -3.465 14.246 556 HB2 SER 81 1HB SER 81 -7.564 -1.409 12.371 557 HB3 SER 81 2HB SER 81 -6.822 -1.436 13.958 558 HG SER 81 HG SER 81 -4.903 -1.587 13.034 559 H THR 82 H THR 82 -9.488 -1.951 12.663 560 HA THR 82 HA THR 82 -10.530 -3.980 10.803 561 HB THR 82 HB THR 82 -12.712 -3.212 11.448 562 HG1 THR 82 1HG THR 82 -11.212 -1.031 12.717 563 HG21 THR 82 1HG2 THR 82 -12.775 -3.324 13.855 564 HG22 THR 82 2HG2 THR 82 -11.379 -4.325 13.389 565 HG23 THR 82 3HG2 THR 82 -11.125 -2.672 13.999 566 H PHE 83 H PHE 83 -11.760 -3.124 8.903 567 HA PHE 83 HA PHE 83 -10.109 -1.578 7.343 568 HB2 PHE 83 1HB PHE 83 -11.832 -3.019 6.390 569 HB3 PHE 83 2HB PHE 83 -13.088 -2.285 7.367 570 HD1 PHE 83 2HD PHE 83 -13.595 0.225 6.886 571 HD2 PHE 83 1HD PHE 83 -11.540 -2.329 4.191 572 HE1 PHE 83 2HE PHE 83 -14.174 1.762 4.988 573 HE2 PHE 83 1HE PHE 83 -12.119 -0.792 2.293 574 HZ PHE 83 HZ PHE 83 -13.429 1.235 2.714 575 H GLU 84 H GLU 84 -12.399 -0.601 9.806 576 HA GLU 84 HA GLU 84 -12.849 1.975 8.717 577 HB2 GLU 84 1HB GLU 84 -13.436 0.644 11.377 578 HB3 GLU 84 2HB GLU 84 -13.700 2.364 11.172 579 HG2 GLU 84 1HG GLU 84 -14.943 0.147 9.476 580 HG3 GLU 84 2HG GLU 84 -15.773 1.099 10.690 581 H GLU 85 H GLU 85 -10.629 0.499 11.125 582 HA GLU 85 HA GLU 85 -9.655 2.816 12.219 583 HB2 GLU 85 1HB GLU 85 -9.076 0.044 12.333 584 HB3 GLU 85 2HB GLU 85 -7.559 0.806 11.898 585 HG2 GLU 85 1HG GLU 85 -9.212 2.018 14.124 586 HG3 GLU 85 2HG GLU 85 -8.281 0.571 14.456 587 H ALA 86 H ALA 86 -8.011 0.812 9.656 588 HA ALA 86 HA ALA 86 -6.006 2.460 8.990 589 HB1 ALA 86 1HB ALA 86 -7.269 1.453 6.572 590 HB2 ALA 86 2HB ALA 86 -5.771 0.918 7.370 591 HB3 ALA 86 3HB ALA 86 -7.337 0.237 7.870 592 H ASN 87 H ASN 87 -9.461 2.787 8.022 593 HA ASN 87 HA ASN 87 -9.075 4.851 6.234 594 HB2 ASN 87 1HB ASN 87 -11.221 3.392 6.941 595 HB3 ASN 87 2HB ASN 87 -11.541 4.754 7.996 596 HD21 ASN 87 1HD2 ASN 87 -11.393 3.579 4.754 597 HD22 ASN 87 2HD2 ASN 87 -12.064 4.954 3.942 598 H GLN 88 H GLN 88 -10.082 4.858 9.740 599 HA GLN 88 HA GLN 88 -10.276 7.542 10.081 600 HB2 GLN 88 1HB GLN 88 -10.221 5.214 11.726 601 HB3 GLN 88 2HB GLN 88 -9.077 6.333 12.438 602 HG2 GLN 88 1HG GLN 88 -11.309 6.740 13.378 603 HG3 GLN 88 2HG GLN 88 -10.816 8.128 12.428 604 HE21 GLN 88 1HE2 GLN 88 -12.250 4.931 11.759 605 HE22 GLN 88 2HE2 GLN 88 -13.575 5.484 10.790 606 H LEU 89 H LEU 89 -7.347 5.446 10.216 607 HA LEU 89 HA LEU 89 -5.530 7.186 11.245 608 HB2 LEU 89 1HB LEU 89 -5.059 5.299 8.936 609 HB3 LEU 89 2HB LEU 89 -3.852 5.929 10.040 610 HG LEU 89 HG LEU 89 -5.950 3.836 10.509 611 HD11 LEU 89 1HD1 LEU 89 -3.855 2.865 11.738 612 HD12 LEU 89 2HD1 LEU 89 -3.956 2.822 9.961 613 HD13 LEU 89 3HD1 LEU 89 -2.971 4.067 10.766 614 HD21 LEU 89 1HD2 LEU 89 -4.716 5.602 12.627 615 HD22 LEU 89 2HD2 LEU 89 -6.436 5.253 12.335 616 HD23 LEU 89 3HD2 LEU 89 -5.367 3.982 12.974 617 H LEU 90 H LEU 90 -6.855 7.058 7.901 618 HA LEU 90 HA LEU 90 -5.130 9.055 6.903 619 HB2 LEU 90 1HB LEU 90 -7.686 7.779 5.992 620 HB3 LEU 90 2HB LEU 90 -7.047 9.174 5.146 621 HG LEU 90 HG LEU 90 -5.774 6.453 5.467 622 HD11 LEU 90 1HD1 LEU 90 -6.965 8.014 3.204 623 HD12 LEU 90 2HD1 LEU 90 -5.664 6.845 2.877 624 HD13 LEU 90 3HD1 LEU 90 -7.173 6.304 3.649 625 HD21 LEU 90 1HD2 LEU 90 -3.878 7.726 5.740 626 HD22 LEU 90 2HD2 LEU 90 -3.946 7.583 3.967 627 HD23 LEU 90 3HD2 LEU 90 -4.504 9.075 4.762 628 H ARG 91 H ARG 91 -8.462 9.078 8.297 629 HA ARG 91 HA ARG 91 -8.964 11.729 7.818 630 HB2 ARG 91 1HB ARG 91 -9.927 9.738 9.896 631 HB3 ARG 91 2HB ARG 91 -10.443 11.409 10.015 632 HG2 ARG 91 1HG ARG 91 -10.687 10.400 7.261 633 HG3 ARG 91 2HG ARG 91 -11.590 9.409 8.389 634 HD2 ARG 91 1HD ARG 91 -13.217 10.988 8.479 635 HD3 ARG 91 2HD ARG 91 -12.070 12.137 9.138 636 HE ARG 91 HE ARG 91 -12.044 13.192 7.064 637 HH11 ARG 91 2HH2 ARG 91 -12.938 9.823 6.582 638 HH12 ARG 91 1HH2 ARG 91 -13.186 9.999 4.877 639 HH21 ARG 91 2HH1 ARG 91 -12.372 13.426 4.814 640 HH22 ARG 91 1HH1 ARG 91 -12.861 12.062 3.865 641 H ASP 92 H ASP 92 -6.956 10.117 10.254 642 HA ASP 92 HA ASP 92 -6.863 12.364 11.978 643 HB2 ASP 92 1HB ASP 92 -6.502 10.130 12.888 644 HB3 ASP 92 2HB ASP 92 -5.210 9.812 11.747 645 H SER 93 H SER 93 -4.499 10.646 9.789 646 HA SER 93 HA SER 93 -2.369 12.217 10.016 647 HB2 SER 93 1HB SER 93 -3.575 10.713 7.714 648 HB3 SER 93 2HB SER 93 -2.242 11.789 7.346 649 HG SER 93 HG SER 93 -2.257 9.360 8.770 650 H SER 94 H SER 94 -5.438 12.987 8.370 651 HA SER 94 HA SER 94 -4.708 15.031 6.774 652 HB2 SER 94 1HB SER 94 -7.172 14.452 8.412 653 HB3 SER 94 2HB SER 94 -7.065 16.002 7.601 654 HG SER 94 HG SER 94 -7.571 13.495 6.540 655 H ILE 95 H ILE 95 -5.019 14.968 10.337 656 HA ILE 95 HA ILE 95 -5.080 17.668 10.862 657 HB ILE 95 HB ILE 95 -4.143 15.234 12.299 658 HG12 ILE 95 1HG1 ILE 95 -5.855 16.103 13.945 659 HG13 ILE 95 2HG1 ILE 95 -6.241 17.362 12.789 660 HG21 ILE 95 1HG2 ILE 95 -2.427 16.609 13.071 661 HG22 ILE 95 2HG2 ILE 95 -3.455 18.062 13.072 662 HG23 ILE 95 3HG2 ILE 95 -3.701 16.798 14.301 663 HD11 ILE 95 1HD1 ILE 95 -6.432 14.355 12.299 664 HD12 ILE 95 2HD1 ILE 95 -7.792 15.486 12.496 665 HD13 ILE 95 3HD1 ILE 95 -6.740 15.601 11.065 666 H THR 96 H THR 96 -2.100 15.580 10.915 667 HA THR 96 HA THR 96 -0.399 17.855 10.811 668 HB THR 96 HB THR 96 0.175 15.669 11.898 669 HG1 THR 96 1HG THR 96 2.311 15.720 10.923 670 HG21 THR 96 1HG2 THR 96 0.736 13.727 10.562 671 HG22 THR 96 2HG2 THR 96 -0.890 14.222 10.034 672 HG23 THR 96 3HG2 THR 96 0.531 14.634 9.045 673 H SER 97 H SER 97 -2.365 16.414 8.457 674 HA SER 97 HA SER 97 -2.523 16.663 6.308 675 HB2 SER 97 1HB SER 97 -0.937 19.010 7.117 676 HB3 SER 97 2HB SER 97 -0.638 18.556 5.451 677 HG SER 97 HG SER 97 -3.217 19.101 6.655 678 H LYS 98 H LYS 98 -0.625 14.720 7.463 679 HA LYS 98 HA LYS 98 0.805 14.127 5.043 680 HB2 LYS 98 1HB LYS 98 2.170 15.588 7.007 681 HB3 LYS 98 2HB LYS 98 2.696 13.934 7.247 682 HG2 LYS 98 1HG LYS 98 3.723 13.802 5.171 683 HG3 LYS 98 2HG LYS 98 2.549 14.849 4.398 684 HD2 LYS 98 1HD LYS 98 3.674 16.676 6.058 685 HD3 LYS 98 2HD LYS 98 5.035 15.579 5.927 686 HE2 LYS 98 1HE LYS 98 5.125 15.815 3.520 687 HE3 LYS 98 2HE LYS 98 3.556 16.594 3.463 688 HZ1 LYS 98 1HZ LYS 98 4.528 18.415 4.754 689 HZ2 LYS 98 2HZ LYS 98 5.995 17.702 4.669 690 HZ3 LYS 98 3HZ LYS 98 5.258 18.220 3.306 691 H VAL 99 H VAL 99 1.299 11.893 4.874 692 HA VAL 99 HA VAL 99 0.626 10.254 7.185 693 HB VAL 99 HB VAL 99 -1.461 10.567 5.941 694 HG11 VAL 99 1HG1 VAL 99 -1.452 10.729 3.718 695 HG12 VAL 99 2HG1 VAL 99 0.256 10.232 3.655 696 HG13 VAL 99 3HG1 VAL 99 -1.031 9.003 3.616 697 HG21 VAL 99 1HG2 VAL 99 -1.511 7.918 5.221 698 HG22 VAL 99 2HG2 VAL 99 -0.136 7.967 6.350 699 HG23 VAL 99 3HG2 VAL 99 -1.739 8.536 6.874 700 H THR 100 H THR 100 1.640 8.180 7.146 701 HA THR 100 HA THR 100 3.648 7.918 5.003 702 HB THR 100 HB THR 100 3.788 7.380 8.012 703 HG1 THR 100 1HG THR 100 4.937 9.274 7.830 704 HG21 THR 100 1HG2 THR 100 5.559 5.978 7.674 705 HG22 THR 100 2HG2 THR 100 5.154 5.953 5.941 706 HG23 THR 100 3HG2 THR 100 6.309 7.153 6.567 707 H LEU 101 H LEU 101 2.641 6.532 3.607 708 HA LEU 101 HA LEU 101 1.378 4.175 4.744 709 HB2 LEU 101 1HB LEU 101 1.466 5.400 1.995 710 HB3 LEU 101 2HB LEU 101 0.844 3.785 2.272 711 HG LEU 101 HG LEU 101 -0.239 6.187 3.750 712 HD11 LEU 101 1HD1 LEU 101 -0.311 6.250 1.118 713 HD12 LEU 101 2HD1 LEU 101 -1.646 5.096 1.345 714 HD13 LEU 101 3HD1 LEU 101 -1.730 6.710 2.090 715 HD21 LEU 101 1HD2 LEU 101 -1.824 4.821 4.585 716 HD22 LEU 101 2HD2 LEU 101 -1.940 3.858 3.092 717 HD23 LEU 101 3HD2 LEU 101 -0.619 3.555 4.246 718 H GLU 102 H GLU 102 2.479 2.320 5.049 719 HA GLU 102 HA GLU 102 5.072 2.130 3.802 720 HB2 GLU 102 1HB GLU 102 4.832 1.705 6.244 721 HB3 GLU 102 2HB GLU 102 3.739 0.376 5.913 722 HG2 GLU 102 1HG GLU 102 5.491 -1.030 5.623 723 HG3 GLU 102 2HG GLU 102 6.100 -0.037 4.314 724 H ILE 103 H ILE 103 5.288 1.096 1.869 725 HA ILE 103 HA ILE 103 3.300 -0.973 1.250 726 HB ILE 103 HB ILE 103 4.980 0.630 -0.677 727 HG12 ILE 103 1HG1 ILE 103 3.337 1.976 0.756 728 HG13 ILE 103 2HG1 ILE 103 3.234 2.147 -0.985 729 HG21 ILE 103 1HG2 ILE 103 2.890 -1.486 -0.942 730 HG22 ILE 103 2HG2 ILE 103 2.928 -0.175 -2.145 731 HG23 ILE 103 3HG2 ILE 103 4.364 -1.198 -1.898 732 HD11 ILE 103 1HD1 ILE 103 1.438 0.452 0.802 733 HD12 ILE 103 2HD1 ILE 103 0.977 1.880 -0.155 734 HD13 ILE 103 3HD1 ILE 103 1.412 0.362 -0.976 735 H GLU 104 H GLU 104 4.226 -2.726 -0.288 736 HA GLU 104 HA GLU 104 7.012 -3.225 0.309 737 HB2 GLU 104 1HB GLU 104 6.181 -4.529 2.055 738 HB3 GLU 104 2HB GLU 104 4.682 -4.893 1.223 739 HG2 GLU 104 1HG GLU 104 5.709 -6.546 -0.167 740 HG3 GLU 104 2HG GLU 104 7.325 -5.948 0.158 741 H PHE 105 H PHE 105 8.084 -3.952 -1.494 742 HA PHE 105 HA PHE 105 6.415 -5.109 -3.615 743 HB2 PHE 105 1HB PHE 105 8.303 -3.943 -5.069 744 HB3 PHE 105 2HB PHE 105 7.037 -2.930 -4.405 745 HD1 PHE 105 2HD PHE 105 7.555 -1.885 -2.049 746 HD2 PHE 105 1HD PHE 105 10.514 -3.356 -4.712 747 HE1 PHE 105 2HE PHE 105 9.286 -0.472 -0.907 748 HE2 PHE 105 1HE PHE 105 12.245 -1.942 -3.569 749 HZ PHE 105 HZ PHE 105 11.610 -0.517 -1.680 750 H ASP 106 H ASP 106 8.148 -6.050 -5.394 751 HA ASP 106 HA ASP 106 9.576 -8.009 -3.847 752 HB2 ASP 106 1HB ASP 106 9.992 -8.923 -6.278 753 HB3 ASP 106 2HB ASP 106 8.390 -9.053 -5.580 754 H VAL 107 H VAL 107 11.892 -8.503 -4.338 755 HA VAL 107 HA VAL 107 13.278 -6.300 -5.694 756 HB VAL 107 HB VAL 107 14.335 -7.675 -3.234 757 HG11 VAL 107 1HG1 VAL 107 15.126 -4.929 -3.579 758 HG12 VAL 107 2HG1 VAL 107 16.130 -6.399 -3.577 759 HG13 VAL 107 3HG1 VAL 107 15.401 -5.821 -5.095 760 HG21 VAL 107 1HG2 VAL 107 13.598 -5.489 -2.061 761 HG22 VAL 107 2HG2 VAL 107 12.449 -5.326 -3.411 762 HG23 VAL 107 3HG2 VAL 107 12.375 -6.751 -2.347 763 H ALA 108 H ALA 108 15.303 -6.908 -6.712 764 HA ALA 108 HA ALA 108 15.183 -9.593 -7.718 765 HB1 ALA 108 1HB ALA 108 17.554 -8.064 -8.443 766 HB2 ALA 108 2HB ALA 108 16.219 -8.637 -9.471 767 HB3 ALA 108 3HB ALA 108 16.080 -7.081 -8.618 768 H GLU 109 H GLU 109 16.720 -11.253 -7.405 769 HA GLU 109 HA GLU 109 18.391 -10.790 -5.064 770 HB2 GLU 109 1HB GLU 109 16.851 -13.160 -6.080 771 HB3 GLU 109 2HB GLU 109 18.351 -13.487 -5.234 772 HG2 GLU 109 1HG GLU 109 16.877 -11.459 -3.770 773 HG3 GLU 109 2HG GLU 109 15.805 -12.804 -4.104 774 H SER 110 H SER 110 20.442 -12.304 -5.056 775 HA SER 110 HA SER 110 21.725 -11.813 -7.590 776 HB2 SER 110 1HB SER 110 22.547 -11.965 -4.782 777 HB3 SER 110 2HB SER 110 23.596 -12.939 -5.794 778 HG SER 110 HG SER 110 24.449 -11.166 -6.650 779 H VAL 111 H VAL 111 21.161 -13.473 -9.022 780 HA VAL 111 HA VAL 111 22.402 -15.968 -8.664 781 HB VAL 111 HB VAL 111 20.580 -16.329 -7.087 782 HG11 VAL 111 1HG1 VAL 111 19.049 -14.798 -8.812 783 HG12 VAL 111 2HG1 VAL 111 18.411 -16.441 -9.057 784 HG13 VAL 111 3HG1 VAL 111 18.443 -15.733 -7.424 785 HG21 VAL 111 1HG2 VAL 111 20.713 -17.889 -9.643 786 HG22 VAL 111 2HG2 VAL 111 21.176 -18.360 -7.990 787 HG23 VAL 111 3HG2 VAL 111 19.457 -18.301 -8.450 788 H ILE 112 H ILE 112 22.635 -16.973 -10.662 789 HA ILE 112 HA ILE 112 21.707 -15.413 -12.898 790 HB ILE 112 HB ILE 112 23.319 -17.956 -12.956 791 HG12 ILE 112 1HG1 ILE 112 24.995 -15.649 -13.130 792 HG13 ILE 112 2HG1 ILE 112 24.029 -15.496 -11.676 793 HG21 ILE 112 1HG2 ILE 112 23.713 -15.681 -14.841 794 HG22 ILE 112 2HG2 ILE 112 23.855 -17.436 -15.105 795 HG23 ILE 112 3HG2 ILE 112 22.248 -16.674 -15.029 796 HD11 ILE 112 1HD1 ILE 112 25.178 -18.212 -12.213 797 HD12 ILE 112 2HD1 ILE 112 26.327 -16.930 -11.760 798 HD13 ILE 112 3HD1 ILE 112 24.982 -17.345 -10.671 799 HA PRO 113 HA PRO 113 18.233 -17.956 -13.490 800 HB2 PRO 113 1HB PRO 113 17.258 -16.742 -15.736 801 HB3 PRO 113 2HB PRO 113 16.934 -16.160 -14.115 802 HG2 PRO 113 1HG PRO 113 18.773 -15.055 -16.149 803 HG3 PRO 113 2HG PRO 113 18.121 -14.277 -14.720 804 HD2 PRO 113 1HD PRO 113 20.772 -15.322 -15.047 805 HD3 PRO 113 2HD PRO 113 20.084 -14.649 -13.583 806 H SER 114 H SER 114 20.561 -17.351 -16.004 807 HA SER 114 HA SER 114 21.299 -18.586 -17.631 808 HB2 SER 114 1HB SER 114 20.458 -20.813 -15.735 809 HB3 SER 114 2HB SER 114 21.320 -21.134 -17.226 810 HG SER 114 HG SER 114 22.863 -20.946 -15.574 811 H SER 115 H SER 115 19.819 -17.967 -19.282 812 HA SER 115 HA SER 115 17.707 -19.931 -19.719 813 HB2 SER 115 1HB SER 115 17.356 -17.196 -19.213 814 HB3 SER 115 2HB SER 115 17.238 -17.298 -20.958 815 HG SER 115 HG SER 115 15.573 -18.469 -18.955 816 H GLY 116 H GLY 116 17.027 -19.978 -22.149 817 HA2 GLY 116 1HA GLY 116 19.379 -19.448 -23.862 818 HA3 GLY 116 2HA GLY 116 18.528 -20.980 -23.894 819 H SER 117 H SER 117 18.393 -20.194 -26.286 820 HA SER 117 HA SER 117 15.772 -19.041 -26.563 821 HB2 SER 117 1HB SER 117 16.436 -17.351 -28.172 822 HB3 SER 117 2HB SER 117 17.376 -17.111 -26.712 823 HG SER 117 HG SER 117 18.424 -17.212 -29.042 824 H GLY 118 H GLY 118 14.637 -20.128 -28.161 825 HA2 GLY 118 1HA GLY 118 16.171 -22.052 -29.775 826 HA3 GLY 118 2HA GLY 118 14.468 -22.143 -29.370 827 HA PRO 119 HA PRO 119 15.195 -19.899 -33.412 828 HB2 PRO 119 1HB PRO 119 15.286 -21.905 -35.265 829 HB3 PRO 119 2HB PRO 119 16.719 -21.118 -34.633 830 HG2 PRO 119 1HG PRO 119 15.647 -23.800 -34.004 831 HG3 PRO 119 2HG PRO 119 17.258 -23.170 -33.728 832 HD2 PRO 119 1HD PRO 119 15.193 -23.519 -31.768 833 HD3 PRO 119 2HD PRO 119 16.763 -22.782 -31.516 834 H SER 120 H SER 120 13.734 -19.803 -35.407 835 HA SER 120 HA SER 120 11.433 -21.352 -35.327 836 HB2 SER 120 1HB SER 120 9.810 -19.527 -34.623 837 HB3 SER 120 2HB SER 120 10.767 -20.208 -33.323 838 HG SER 120 HG SER 120 11.147 -18.115 -32.930 839 H SER 121 H SER 121 11.739 -21.426 -37.589 840 HA SER 121 HA SER 121 11.847 -18.877 -38.952 841 HB2 SER 121 1HB SER 121 12.533 -20.146 -40.912 842 HB3 SER 121 2HB SER 121 13.486 -20.677 -39.541 843 HG SER 121 HG SER 121 12.360 -22.600 -39.432 844 H GLY 122 H GLY 122 10.437 -18.600 -40.953 845 HA2 GLY 122 1HA GLY 122 8.460 -18.674 -42.035 846 HA3 GLY 122 2HA GLY 122 8.150 -20.246 -41.326 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -2.797 -19.753 14.654 2 HA2 GLY 1 1HA GLY 1 -0.840 -17.553 14.728 3 HA3 GLY 1 2HA GLY 1 -0.517 -19.228 14.327 4 H SER 2 H SER 2 0.563 -17.860 12.459 5 HA SER 2 HA SER 2 -1.298 -18.038 10.266 6 HB2 SER 2 1HB SER 2 -0.458 -15.820 9.348 7 HB3 SER 2 2HB SER 2 -1.505 -15.695 10.748 8 HG SER 2 HG SER 2 0.843 -14.576 10.524 9 H SER 3 H SER 3 -0.213 -19.688 9.200 10 HA SER 3 HA SER 3 2.667 -19.430 8.995 11 HB2 SER 3 1HB SER 3 2.558 -21.803 8.171 12 HB3 SER 3 2HB SER 3 1.916 -21.595 9.788 13 HG SER 3 HG SER 3 -0.043 -22.180 9.119 14 H GLY 4 H GLY 4 3.433 -18.404 7.186 15 HA2 GLY 4 1HA GLY 4 2.029 -18.905 4.638 16 HA3 GLY 4 2HA GLY 4 2.442 -17.277 5.136 17 H SER 5 H SER 5 4.088 -20.528 5.042 18 HA SER 5 HA SER 5 6.438 -19.116 4.073 19 HB2 SER 5 1HB SER 5 7.697 -21.143 4.782 20 HB3 SER 5 2HB SER 5 6.813 -20.421 6.111 21 HG SER 5 HG SER 5 5.688 -22.225 6.339 22 H SER 6 H SER 6 6.015 -18.982 1.830 23 HA SER 6 HA SER 6 5.424 -21.517 0.532 24 HB2 SER 6 1HB SER 6 4.053 -19.254 0.226 25 HB3 SER 6 2HB SER 6 5.341 -18.856 -0.894 26 HG SER 6 HG SER 6 3.853 -19.895 -2.166 27 H GLY 7 H GLY 7 7.401 -22.517 0.140 28 HA2 GLY 7 1HA GLY 7 9.013 -22.098 -1.888 29 HA3 GLY 7 2HA GLY 7 9.645 -20.886 -0.792 30 H ALA 8 H ALA 8 11.632 -21.786 -0.240 31 HA ALA 8 HA ALA 8 11.546 -23.966 1.607 32 HB1 ALA 8 1HB ALA 8 12.685 -25.601 0.385 33 HB2 ALA 8 2HB ALA 8 11.574 -24.934 -0.836 34 HB3 ALA 8 3HB ALA 8 13.282 -24.432 -0.818 35 H GLY 9 H GLY 9 13.820 -22.283 -0.686 36 HA2 GLY 9 1HA GLY 9 15.174 -21.091 1.615 37 HA3 GLY 9 2HA GLY 9 16.110 -22.175 0.606 38 H GLN 10 H GLN 10 15.569 -21.709 -1.955 39 HA GLN 10 HA GLN 10 16.607 -19.117 -2.337 40 HB2 GLN 10 1HB GLN 10 15.540 -21.048 -4.441 41 HB3 GLN 10 2HB GLN 10 16.650 -19.720 -4.712 42 HG2 GLN 10 1HG GLN 10 17.517 -21.659 -2.616 43 HG3 GLN 10 2HG GLN 10 17.423 -22.325 -4.235 44 HE21 GLN 10 1HE2 GLN 10 19.809 -22.408 -3.433 45 HE22 GLN 10 2HE2 GLN 10 20.837 -21.135 -4.001 46 H VAL 11 H VAL 11 15.563 -17.214 -2.838 47 HA VAL 11 HA VAL 11 13.071 -17.161 -4.159 48 HB VAL 11 HB VAL 11 12.386 -17.969 -1.898 49 HG11 VAL 11 1HG1 VAL 11 13.768 -16.985 -0.321 50 HG12 VAL 11 2HG1 VAL 11 13.686 -15.382 -1.088 51 HG13 VAL 11 3HG1 VAL 11 12.293 -16.000 -0.167 52 HG21 VAL 11 1HG2 VAL 11 11.295 -15.199 -2.434 53 HG22 VAL 11 2HG2 VAL 11 10.955 -16.581 -3.502 54 HG23 VAL 11 3HG2 VAL 11 10.444 -16.626 -1.798 55 H VAL 12 H VAL 12 12.197 -14.780 -4.108 56 HA VAL 12 HA VAL 12 14.537 -13.108 -4.472 57 HB VAL 12 HB VAL 12 12.690 -13.376 -6.159 58 HG11 VAL 12 1HG1 VAL 12 10.719 -13.386 -4.837 59 HG12 VAL 12 2HG1 VAL 12 11.154 -11.856 -4.037 60 HG13 VAL 12 3HG1 VAL 12 10.684 -11.860 -5.754 61 HG21 VAL 12 1HG2 VAL 12 13.169 -10.537 -5.195 62 HG22 VAL 12 2HG2 VAL 12 14.319 -11.494 -6.159 63 HG23 VAL 12 3HG2 VAL 12 12.736 -11.051 -6.843 64 H HIS 13 H HIS 13 14.416 -10.782 -3.676 65 HA HIS 13 HA HIS 13 13.464 -10.870 -0.922 66 HB2 HIS 13 1HB HIS 13 15.042 -9.070 -0.504 67 HB3 HIS 13 2HB HIS 13 15.843 -10.445 -1.237 68 HD1 HIS 13 1HD HIS 13 16.780 -10.159 -3.662 69 HD2 HIS 13 2HD HIS 13 14.971 -6.720 -2.083 70 HE1 HIS 13 1HE HIS 13 17.439 -8.233 -5.202 71 H THR 14 H THR 14 12.674 -8.660 -0.043 72 HA THR 14 HA THR 14 11.115 -7.276 -2.119 73 HB THR 14 HB THR 14 9.341 -7.196 -0.154 74 HG1 THR 14 1HG THR 14 10.574 -8.186 1.489 75 HG21 THR 14 1HG2 THR 14 9.020 -8.569 -2.254 76 HG22 THR 14 2HG2 THR 14 9.958 -9.879 -1.498 77 HG23 THR 14 3HG2 THR 14 8.395 -9.387 -0.802 78 H GLU 15 H GLU 15 10.471 -5.073 -1.558 79 HA GLU 15 HA GLU 15 12.211 -3.970 0.502 80 HB2 GLU 15 1HB GLU 15 11.850 -3.034 -2.364 81 HB3 GLU 15 2HB GLU 15 12.390 -1.928 -1.117 82 HG2 GLU 15 1HG GLU 15 14.183 -3.756 -0.552 83 HG3 GLU 15 2HG GLU 15 13.769 -4.450 -2.107 84 H THR 16 H THR 16 11.406 -2.002 1.528 85 HA THR 16 HA THR 16 8.499 -1.702 1.166 86 HB THR 16 HB THR 16 8.962 -0.686 3.628 87 HG1 THR 16 1HG THR 16 10.754 -2.402 4.313 88 HG21 THR 16 1HG2 THR 16 8.966 -3.664 2.911 89 HG22 THR 16 2HG2 THR 16 8.791 -3.048 4.572 90 HG23 THR 16 3HG2 THR 16 7.550 -2.679 3.350 91 H THR 17 H THR 17 7.560 0.341 1.015 92 HA THR 17 HA THR 17 9.466 2.563 0.752 93 HB THR 17 HB THR 17 8.809 1.529 -1.495 94 HG1 THR 17 1HG THR 17 8.167 3.750 -2.237 95 HG21 THR 17 1HG2 THR 17 6.467 2.406 -2.238 96 HG22 THR 17 2HG2 THR 17 6.492 0.921 -1.257 97 HG23 THR 17 3HG2 THR 17 6.084 2.481 -0.502 98 H GLU 18 H GLU 18 8.760 4.574 1.447 99 HA GLU 18 HA GLU 18 6.280 4.408 2.958 100 HB2 GLU 18 1HB GLU 18 8.016 4.955 4.458 101 HB3 GLU 18 2HB GLU 18 8.835 5.986 3.302 102 HG2 GLU 18 1HG GLU 18 7.036 7.676 3.472 103 HG3 GLU 18 2HG GLU 18 6.114 6.629 4.532 104 H VAL 19 H VAL 19 4.517 5.467 2.162 105 HA VAL 19 HA VAL 19 4.979 7.426 0.055 106 HB VAL 19 HB VAL 19 2.353 6.271 0.979 107 HG11 VAL 19 1HG1 VAL 19 2.883 6.905 -1.870 108 HG12 VAL 19 2HG1 VAL 19 1.438 7.201 -0.873 109 HG13 VAL 19 3HG1 VAL 19 2.837 8.297 -0.761 110 HG21 VAL 19 1HG2 VAL 19 3.029 4.245 0.322 111 HG22 VAL 19 2HG2 VAL 19 3.117 4.892 -1.334 112 HG23 VAL 19 3HG2 VAL 19 4.567 4.887 -0.302 113 H VAL 20 H VAL 20 4.637 9.593 0.322 114 HA VAL 20 HA VAL 20 3.347 10.394 2.838 115 HB VAL 20 HB VAL 20 5.843 11.458 1.516 116 HG11 VAL 20 1HG1 VAL 20 5.186 12.819 3.976 117 HG12 VAL 20 2HG1 VAL 20 5.505 13.495 2.360 118 HG13 VAL 20 3HG1 VAL 20 3.855 12.995 2.807 119 HG21 VAL 20 1HG2 VAL 20 5.627 10.825 4.430 120 HG22 VAL 20 2HG2 VAL 20 5.696 9.467 3.282 121 HG23 VAL 20 3HG2 VAL 20 7.010 10.666 3.321 122 H LEU 21 H LEU 21 1.335 10.978 2.097 123 HA LEU 21 HA LEU 21 1.265 12.675 -0.287 124 HB2 LEU 21 1HB LEU 21 -0.997 11.226 1.090 125 HB3 LEU 21 2HB LEU 21 -1.075 12.092 -0.432 126 HG LEU 21 HG LEU 21 -0.869 10.025 -1.301 127 HD11 LEU 21 1HD1 LEU 21 2.058 10.158 -0.601 128 HD12 LEU 21 2HD1 LEU 21 1.279 9.569 -2.089 129 HD13 LEU 21 3HD1 LEU 21 1.316 11.313 -1.734 130 HD21 LEU 21 1HD2 LEU 21 -0.854 9.152 1.175 131 HD22 LEU 21 2HD2 LEU 21 -0.369 8.091 -0.169 132 HD23 LEU 21 3HD2 LEU 21 0.872 8.867 0.843 133 H THR 22 H THR 22 1.043 14.829 -0.036 134 HA THR 22 HA THR 22 0.500 15.854 2.610 135 HB THR 22 HB THR 22 0.914 17.422 0.026 136 HG1 THR 22 1HG THR 22 2.809 16.146 1.873 137 HG21 THR 22 1HG2 THR 22 0.513 18.429 2.480 138 HG22 THR 22 2HG2 THR 22 2.212 17.949 2.710 139 HG23 THR 22 3HG2 THR 22 1.780 19.105 1.428 140 H ALA 23 H ALA 23 -1.562 15.740 3.304 141 HA ALA 23 HA ALA 23 -3.838 15.516 1.979 142 HB1 ALA 23 1HB ALA 23 -3.594 15.674 4.440 143 HB2 ALA 23 2HB ALA 23 -3.366 17.433 4.299 144 HB3 ALA 23 3HB ALA 23 -4.922 16.698 3.844 145 H ASP 24 H ASP 24 -4.092 16.421 -0.058 146 HA ASP 24 HA ASP 24 -3.341 18.989 -0.702 147 HB2 ASP 24 1HB ASP 24 -4.569 16.773 -1.973 148 HB3 ASP 24 2HB ASP 24 -5.716 18.083 -2.174 149 HA PRO 25 HA PRO 25 -6.752 21.376 0.683 150 HB2 PRO 25 1HB PRO 25 -7.132 23.236 -1.284 151 HB3 PRO 25 2HB PRO 25 -5.854 23.351 -0.090 152 HG2 PRO 25 1HG PRO 25 -5.665 22.589 -2.940 153 HG3 PRO 25 2HG PRO 25 -4.392 23.117 -1.858 154 HD2 PRO 25 1HD PRO 25 -4.912 20.429 -2.713 155 HD3 PRO 25 2HD PRO 25 -3.714 20.943 -1.542 156 H VAL 26 H VAL 26 -7.160 19.154 -1.586 157 HA VAL 26 HA VAL 26 -10.042 19.498 -1.435 158 HB VAL 26 HB VAL 26 -10.139 18.909 -3.913 159 HG11 VAL 26 1HG1 VAL 26 -9.199 21.636 -2.971 160 HG12 VAL 26 2HG1 VAL 26 -9.870 21.316 -4.589 161 HG13 VAL 26 3HG1 VAL 26 -10.875 21.061 -3.142 162 HG21 VAL 26 1HG2 VAL 26 -7.229 19.586 -3.614 163 HG22 VAL 26 2HG2 VAL 26 -8.012 18.326 -4.597 164 HG23 VAL 26 3HG2 VAL 26 -8.079 20.027 -5.114 165 H THR 27 H THR 27 -7.421 17.484 -2.958 166 HA THR 27 HA THR 27 -8.852 15.121 -1.947 167 HB THR 27 HB THR 27 -7.446 13.980 -3.766 168 HG1 THR 27 1HG THR 27 -5.809 15.546 -4.067 169 HG21 THR 27 1HG2 THR 27 -9.848 15.111 -4.118 170 HG22 THR 27 2HG2 THR 27 -8.910 16.296 -5.059 171 HG23 THR 27 3HG2 THR 27 -8.897 14.579 -5.526 172 H GLY 28 H GLY 28 -7.929 15.798 0.221 173 HA2 GLY 28 1HA GLY 28 -5.591 16.076 1.218 174 HA3 GLY 28 2HA GLY 28 -6.562 14.731 1.785 175 H PHE 29 H PHE 29 -6.099 12.564 1.089 176 HA PHE 29 HA PHE 29 -3.430 12.335 -0.097 177 HB2 PHE 29 1HB PHE 29 -5.126 10.295 1.455 178 HB3 PHE 29 2HB PHE 29 -3.410 10.170 1.122 179 HD1 PHE 29 2HD PHE 29 -2.184 12.558 1.938 180 HD2 PHE 29 1HD PHE 29 -5.560 10.665 3.678 181 HE1 PHE 29 2HE PHE 29 -1.677 13.669 4.131 182 HE2 PHE 29 1HE PHE 29 -5.053 11.776 5.871 183 HZ PHE 29 HZ PHE 29 -3.117 13.265 6.071 184 H GLY 30 H GLY 30 -6.845 11.666 -0.545 185 HA2 GLY 30 1HA GLY 30 -7.992 10.591 -2.151 186 HA3 GLY 30 2HA GLY 30 -6.647 10.978 -3.206 187 H ILE 31 H ILE 31 -7.537 8.642 -0.564 188 HA ILE 31 HA ILE 31 -6.564 6.496 -2.258 189 HB ILE 31 HB ILE 31 -5.549 6.813 0.564 190 HG12 ILE 31 1HG1 ILE 31 -4.223 7.541 -2.059 191 HG13 ILE 31 2HG1 ILE 31 -4.572 8.602 -0.709 192 HG21 ILE 31 1HG2 ILE 31 -5.827 4.517 -0.704 193 HG22 ILE 31 2HG2 ILE 31 -4.323 5.035 -1.504 194 HG23 ILE 31 3HG2 ILE 31 -4.377 4.869 0.267 195 HD11 ILE 31 1HD1 ILE 31 -3.085 6.496 0.439 196 HD12 ILE 31 2HD1 ILE 31 -2.285 6.826 -1.116 197 HD13 ILE 31 3HD1 ILE 31 -2.496 8.135 0.072 198 H GLN 32 H GLN 32 -7.638 4.531 -1.885 199 HA GLN 32 HA GLN 32 -9.680 4.700 0.192 200 HB2 GLN 32 1HB GLN 32 -9.907 4.065 -2.715 201 HB3 GLN 32 2HB GLN 32 -10.820 3.017 -1.648 202 HG2 GLN 32 1HG GLN 32 -11.249 5.651 -0.658 203 HG3 GLN 32 2HG GLN 32 -11.354 5.790 -2.402 204 HE21 GLN 32 1HE2 GLN 32 -13.270 5.693 0.017 205 HE22 GLN 32 2HE2 GLN 32 -14.551 4.642 -0.488 206 H LEU 33 H LEU 33 -10.074 2.797 1.408 207 HA LEU 33 HA LEU 33 -8.071 0.704 0.965 208 HB2 LEU 33 1HB LEU 33 -9.580 1.456 3.472 209 HB3 LEU 33 2HB LEU 33 -8.398 0.169 3.335 210 HG LEU 33 HG LEU 33 -7.769 3.089 2.832 211 HD11 LEU 33 1HD1 LEU 33 -8.474 2.087 5.266 212 HD12 LEU 33 2HD1 LEU 33 -6.713 1.827 5.276 213 HD13 LEU 33 3HD1 LEU 33 -7.371 3.459 5.008 214 HD21 LEU 33 1HD2 LEU 33 -5.791 0.912 3.478 215 HD22 LEU 33 2HD2 LEU 33 -6.336 1.202 1.809 216 HD23 LEU 33 3HD2 LEU 33 -5.520 2.498 2.716 217 H GLN 34 H GLN 34 -8.856 -1.555 1.707 218 HA GLN 34 HA GLN 34 -11.677 -1.868 1.118 219 HB2 GLN 34 1HB GLN 34 -10.837 -3.999 -0.250 220 HB3 GLN 34 2HB GLN 34 -10.982 -2.429 -1.016 221 HG2 GLN 34 1HG GLN 34 -8.597 -1.988 -0.747 222 HG3 GLN 34 2HG GLN 34 -8.392 -3.398 0.274 223 HE21 GLN 34 1HE2 GLN 34 -9.591 -5.411 -0.887 224 HE22 GLN 34 2HE2 GLN 34 -8.991 -5.749 -2.476 225 H GLY 35 H GLY 35 -12.304 -4.329 1.531 226 HA2 GLY 35 1HA GLY 35 -10.713 -5.938 3.179 227 HA3 GLY 35 2HA GLY 35 -11.682 -4.906 4.212 228 H SER 36 H SER 36 -12.971 -6.655 5.008 229 HA SER 36 HA SER 36 -14.936 -7.516 3.051 230 HB2 SER 36 1HB SER 36 -14.934 -9.781 4.317 231 HB3 SER 36 2HB SER 36 -13.635 -9.481 3.180 232 HG SER 36 HG SER 36 -13.544 -9.279 6.061 233 H VAL 37 H VAL 37 -17.031 -8.184 4.085 234 HA VAL 37 HA VAL 37 -17.760 -6.386 6.106 235 HB VAL 37 HB VAL 37 -19.086 -8.815 4.900 236 HG11 VAL 37 1HG1 VAL 37 -19.854 -8.248 7.278 237 HG12 VAL 37 2HG1 VAL 37 -20.499 -6.739 6.587 238 HG13 VAL 37 3HG1 VAL 37 -21.106 -8.312 6.014 239 HG21 VAL 37 1HG2 VAL 37 -19.400 -5.828 4.470 240 HG22 VAL 37 2HG2 VAL 37 -18.803 -7.038 3.309 241 HG23 VAL 37 3HG2 VAL 37 -20.511 -7.053 3.811 242 H PHE 38 H PHE 38 -17.382 -10.003 6.149 243 HA PHE 38 HA PHE 38 -16.783 -9.732 9.006 244 HB2 PHE 38 1HB PHE 38 -18.010 -12.027 9.128 245 HB3 PHE 38 2HB PHE 38 -19.038 -10.635 8.850 246 HD1 PHE 38 2HD PHE 38 -19.571 -10.087 6.356 247 HD2 PHE 38 1HD PHE 38 -18.141 -13.851 7.696 248 HE1 PHE 38 2HE PHE 38 -20.475 -11.169 4.280 249 HE2 PHE 38 1HE PHE 38 -19.045 -14.933 5.620 250 HZ PHE 38 HZ PHE 38 -20.201 -13.580 3.936 251 H ALA 39 H ALA 39 -15.767 -11.920 9.834 252 HA ALA 39 HA ALA 39 -14.568 -13.739 8.205 253 HB1 ALA 39 1HB ALA 39 -12.153 -12.598 8.339 254 HB2 ALA 39 2HB ALA 39 -13.245 -12.314 6.963 255 HB3 ALA 39 3HB ALA 39 -13.126 -11.110 8.268 256 H THR 40 H THR 40 -12.197 -14.354 9.386 257 HA THR 40 HA THR 40 -12.795 -15.483 11.744 258 HB THR 40 HB THR 40 -10.238 -14.374 10.540 259 HG1 THR 40 1HG THR 40 -11.493 -16.394 9.913 260 HG21 THR 40 1HG2 THR 40 -9.529 -16.239 12.542 261 HG22 THR 40 2HG2 THR 40 -9.175 -14.494 12.566 262 HG23 THR 40 3HG2 THR 40 -10.640 -15.116 13.362 263 H GLU 41 H GLU 41 -10.677 -12.566 11.881 264 HA GLU 41 HA GLU 41 -12.313 -11.746 14.154 265 HB2 GLU 41 1HB GLU 41 -9.649 -12.574 14.247 266 HB3 GLU 41 2HB GLU 41 -9.506 -10.828 14.202 267 HG2 GLU 41 1HG GLU 41 -10.721 -10.536 16.214 268 HG3 GLU 41 2HG GLU 41 -11.519 -12.090 16.079 269 H THR 42 H THR 42 -9.663 -10.431 12.024 270 HA THR 42 HA THR 42 -11.196 -7.934 11.862 271 HB THR 42 HB THR 42 -9.001 -6.961 11.248 272 HG1 THR 42 1HG THR 42 -7.215 -8.544 11.113 273 HG21 THR 42 1HG2 THR 42 -9.497 -7.677 13.753 274 HG22 THR 42 2HG2 THR 42 -8.314 -8.966 13.426 275 HG23 THR 42 3HG2 THR 42 -7.829 -7.258 13.293 276 H LEU 43 H LEU 43 -9.166 -7.630 9.389 277 HA LEU 43 HA LEU 43 -11.231 -8.392 7.507 278 HB2 LEU 43 1HB LEU 43 -8.648 -6.999 6.862 279 HB3 LEU 43 2HB LEU 43 -10.164 -6.966 5.984 280 HG LEU 43 HG LEU 43 -9.703 -5.710 8.704 281 HD11 LEU 43 1HD1 LEU 43 -9.858 -3.555 7.461 282 HD12 LEU 43 2HD1 LEU 43 -8.411 -4.516 7.073 283 HD13 LEU 43 3HD1 LEU 43 -9.783 -4.476 5.940 284 HD21 LEU 43 1HD2 LEU 43 -12.065 -6.541 7.996 285 HD22 LEU 43 2HD2 LEU 43 -11.870 -4.905 8.670 286 HD23 LEU 43 3HD2 LEU 43 -12.043 -5.129 6.912 287 H SER 44 H SER 44 -9.150 -10.218 9.062 288 HA SER 44 HA SER 44 -7.769 -11.871 8.614 289 HB2 SER 44 1HB SER 44 -10.112 -12.295 6.740 290 HB3 SER 44 2HB SER 44 -8.813 -13.470 6.793 291 HG SER 44 HG SER 44 -10.152 -12.573 9.190 292 H SER 45 H SER 45 -7.047 -9.403 7.186 293 HA SER 45 HA SER 45 -5.058 -10.356 5.593 294 HB2 SER 45 1HB SER 45 -7.564 -10.373 4.192 295 HB3 SER 45 2HB SER 45 -6.602 -9.076 3.511 296 HG SER 45 HG SER 45 -5.616 -10.622 2.411 297 HA PRO 46 HA PRO 46 -4.067 -6.124 5.834 298 HB2 PRO 46 1HB PRO 46 -2.410 -5.687 3.705 299 HB3 PRO 46 2HB PRO 46 -1.885 -6.468 5.183 300 HG2 PRO 46 1HG PRO 46 -2.464 -7.682 2.551 301 HG3 PRO 46 2HG PRO 46 -1.551 -8.348 3.890 302 HD2 PRO 46 1HD PRO 46 -4.230 -9.035 3.129 303 HD3 PRO 46 2HD PRO 46 -3.358 -9.614 4.535 304 HA PRO 47 HA PRO 47 -6.763 -3.757 3.563 305 HB2 PRO 47 1HB PRO 47 -6.069 -1.242 4.377 306 HB3 PRO 47 2HB PRO 47 -7.113 -2.297 5.309 307 HG2 PRO 47 1HG PRO 47 -4.281 -1.597 5.788 308 HG3 PRO 47 2HG PRO 47 -5.446 -2.284 6.903 309 HD2 PRO 47 1HD PRO 47 -3.326 -3.675 5.562 310 HD3 PRO 47 2HD PRO 47 -4.561 -4.382 6.584 311 H LEU 48 H LEU 48 -6.422 -4.085 1.420 312 HA LEU 48 HA LEU 48 -4.080 -2.888 0.269 313 HB2 LEU 48 1HB LEU 48 -6.347 -4.094 -1.279 314 HB3 LEU 48 2HB LEU 48 -4.641 -4.031 -1.676 315 HG LEU 48 HG LEU 48 -5.230 -5.542 0.783 316 HD11 LEU 48 1HD1 LEU 48 -6.472 -6.335 -1.845 317 HD12 LEU 48 2HD1 LEU 48 -5.991 -7.550 -0.636 318 HD13 LEU 48 3HD1 LEU 48 -7.194 -6.306 -0.218 319 HD21 LEU 48 1HD2 LEU 48 -3.034 -5.681 -0.001 320 HD22 LEU 48 2HD2 LEU 48 -3.773 -7.220 -0.507 321 HD23 LEU 48 3HD2 LEU 48 -3.547 -5.909 -1.690 322 H ILE 49 H ILE 49 -4.377 -1.512 -1.803 323 HA ILE 49 HA ILE 49 -5.986 0.738 -1.027 324 HB ILE 49 HB ILE 49 -4.090 0.246 -3.323 325 HG12 ILE 49 1HG1 ILE 49 -3.805 1.772 -0.720 326 HG13 ILE 49 2HG1 ILE 49 -2.983 0.289 -1.164 327 HG21 ILE 49 1HG2 ILE 49 -6.106 2.030 -3.460 328 HG22 ILE 49 2HG2 ILE 49 -4.884 3.013 -2.618 329 HG23 ILE 49 3HG2 ILE 49 -4.506 2.285 -4.197 330 HD11 ILE 49 1HD1 ILE 49 -2.254 3.025 -1.792 331 HD12 ILE 49 2HD1 ILE 49 -1.332 1.531 -2.085 332 HD13 ILE 49 3HD1 ILE 49 -2.495 2.112 -3.301 333 H SER 50 H SER 50 -8.158 0.518 -1.323 334 HA SER 50 HA SER 50 -9.289 -1.105 -3.234 335 HB2 SER 50 1HB SER 50 -10.778 -0.534 -1.548 336 HB3 SER 50 2HB SER 50 -10.229 1.129 -1.469 337 HG SER 50 HG SER 50 -12.389 0.158 -2.762 338 H TYR 51 H TYR 51 -8.876 2.513 -3.207 339 HA TYR 51 HA TYR 51 -8.571 2.452 -6.088 340 HB2 TYR 51 1HB TYR 51 -11.028 2.685 -5.717 341 HB3 TYR 51 2HB TYR 51 -10.762 3.887 -4.470 342 HD1 TYR 51 1HD TYR 51 -10.330 3.285 -8.130 343 HD2 TYR 51 2HD TYR 51 -10.714 6.182 -5.005 344 HE1 TYR 51 1HE TYR 51 -10.535 5.136 -9.861 345 HE2 TYR 51 2HE TYR 51 -10.918 8.023 -6.747 346 HH TYR 51 HH TYR 51 -11.271 8.440 -8.888 347 H ILE 52 H ILE 52 -7.717 4.496 -6.943 348 HA ILE 52 HA ILE 52 -6.603 6.188 -4.816 349 HB ILE 52 HB ILE 52 -5.240 5.191 -7.319 350 HG12 ILE 52 1HG1 ILE 52 -4.316 4.753 -4.486 351 HG13 ILE 52 2HG1 ILE 52 -5.507 3.689 -5.207 352 HG21 ILE 52 1HG2 ILE 52 -3.391 6.545 -6.830 353 HG22 ILE 52 2HG2 ILE 52 -4.798 7.619 -6.636 354 HG23 ILE 52 3HG2 ILE 52 -3.992 6.939 -5.202 355 HD11 ILE 52 1HD1 ILE 52 -3.328 4.143 -7.089 356 HD12 ILE 52 2HD1 ILE 52 -2.694 3.571 -5.528 357 HD13 ILE 52 3HD1 ILE 52 -3.913 2.610 -6.399 358 H GLU 53 H GLU 53 -7.698 8.079 -4.914 359 HA GLU 53 HA GLU 53 -9.163 8.927 -7.040 360 HB2 GLU 53 1HB GLU 53 -8.153 10.071 -4.525 361 HB3 GLU 53 2HB GLU 53 -8.330 11.291 -5.770 362 HG2 GLU 53 1HG GLU 53 -10.450 11.154 -4.616 363 HG3 GLU 53 2HG GLU 53 -10.684 10.434 -6.196 364 H ALA 54 H ALA 54 -8.818 10.851 -8.504 365 HA ALA 54 HA ALA 54 -6.110 10.720 -9.579 366 HB1 ALA 54 1HB ALA 54 -7.500 12.143 -11.398 367 HB2 ALA 54 2HB ALA 54 -7.518 10.364 -11.355 368 HB3 ALA 54 3HB ALA 54 -8.853 11.286 -10.622 369 H ASP 55 H ASP 55 -5.148 12.819 -10.398 370 HA ASP 55 HA ASP 55 -4.354 14.793 -9.984 371 HB2 ASP 55 1HB ASP 55 -6.916 15.284 -10.486 372 HB3 ASP 55 2HB ASP 55 -6.988 15.698 -8.785 373 H SER 56 H SER 56 -4.707 12.653 -7.743 374 HA SER 56 HA SER 56 -4.653 14.415 -5.438 375 HB2 SER 56 1HB SER 56 -5.448 12.660 -4.196 376 HB3 SER 56 2HB SER 56 -5.989 12.082 -5.759 377 HG SER 56 HG SER 56 -4.248 10.662 -5.886 378 HA PRO 57 HA PRO 57 -0.401 13.716 -4.807 379 HB2 PRO 57 1HB PRO 57 -0.120 13.408 -2.107 380 HB3 PRO 57 2HB PRO 57 -0.338 14.967 -2.876 381 HG2 PRO 57 1HG PRO 57 -2.290 13.373 -1.330 382 HG3 PRO 57 2HG PRO 57 -2.339 15.078 -1.734 383 HD2 PRO 57 1HD PRO 57 -3.850 12.977 -2.972 384 HD3 PRO 57 2HD PRO 57 -3.811 14.662 -3.450 385 H ALA 58 H ALA 58 -2.491 11.255 -3.621 386 HA ALA 58 HA ALA 58 -0.431 9.374 -3.125 387 HB1 ALA 58 1HB ALA 58 -2.497 9.046 -2.011 388 HB2 ALA 58 2HB ALA 58 -3.435 9.245 -3.511 389 HB3 ALA 58 3HB ALA 58 -2.456 7.779 -3.260 390 H GLU 59 H GLU 59 -2.066 10.596 -5.986 391 HA GLU 59 HA GLU 59 -1.151 8.308 -7.507 392 HB2 GLU 59 1HB GLU 59 -3.510 9.313 -7.740 393 HB3 GLU 59 2HB GLU 59 -2.755 10.685 -8.526 394 HG2 GLU 59 1HG GLU 59 -3.368 9.252 -10.325 395 HG3 GLU 59 2HG GLU 59 -1.648 8.981 -10.130 396 H ARG 60 H ARG 60 -0.528 11.749 -6.901 397 HA ARG 60 HA ARG 60 0.868 12.383 -9.147 398 HB2 ARG 60 1HB ARG 60 0.917 13.296 -6.276 399 HB3 ARG 60 2HB ARG 60 2.238 13.829 -7.297 400 HG2 ARG 60 1HG ARG 60 0.394 14.539 -9.004 401 HG3 ARG 60 2HG ARG 60 -0.738 14.335 -7.682 402 HD2 ARG 60 1HD ARG 60 0.977 15.871 -6.344 403 HD3 ARG 60 2HD ARG 60 1.520 16.338 -7.943 404 HE ARG 60 HE ARG 60 -1.254 16.563 -8.086 405 HH11 ARG 60 2HH2 ARG 60 1.245 17.911 -6.007 406 HH12 ARG 60 1HH2 ARG 60 0.370 19.370 -5.686 407 HH21 ARG 60 2HH1 ARG 60 -2.410 18.488 -7.661 408 HH22 ARG 60 1HH1 ARG 60 -1.723 19.700 -6.633 409 H CYS 61 H CYS 61 2.170 11.136 -5.978 410 HA CYS 61 HA CYS 61 4.800 10.945 -6.776 411 HB2 CYS 61 1HB CYS 61 4.941 9.183 -4.927 412 HB3 CYS 61 2HB CYS 61 4.386 10.781 -4.470 413 HG CYS 61 HG CYS 61 2.388 8.333 -5.444 414 H GLY 62 H GLY 62 1.957 8.862 -7.327 415 HA2 GLY 62 1HA GLY 62 1.646 7.013 -8.565 416 HA3 GLY 62 2HA GLY 62 2.981 7.575 -9.552 417 H VAL 63 H VAL 63 3.039 6.611 -6.065 418 HA VAL 63 HA VAL 63 4.940 4.507 -6.834 419 HB VAL 63 HB VAL 63 5.880 4.781 -4.598 420 HG11 VAL 63 1HG1 VAL 63 5.690 7.391 -6.141 421 HG12 VAL 63 2HG1 VAL 63 6.932 6.982 -4.933 422 HG13 VAL 63 3HG1 VAL 63 6.834 6.063 -6.454 423 HG21 VAL 63 1HG2 VAL 63 4.837 5.844 -2.937 424 HG22 VAL 63 2HG2 VAL 63 4.703 7.332 -3.904 425 HG23 VAL 63 3HG2 VAL 63 3.447 6.077 -4.024 426 H LEU 64 H LEU 64 1.748 5.049 -6.015 427 HA LEU 64 HA LEU 64 1.602 2.564 -4.461 428 HB2 LEU 64 1HB LEU 64 -0.405 4.811 -4.682 429 HB3 LEU 64 2HB LEU 64 -0.582 3.361 -3.715 430 HG LEU 64 HG LEU 64 1.844 4.997 -3.187 431 HD11 LEU 64 1HD1 LEU 64 0.817 6.933 -2.854 432 HD12 LEU 64 2HD1 LEU 64 -0.761 6.216 -3.257 433 HD13 LEU 64 3HD1 LEU 64 -0.160 6.162 -1.582 434 HD21 LEU 64 1HD2 LEU 64 1.659 3.163 -1.779 435 HD22 LEU 64 2HD2 LEU 64 0.986 4.484 -0.794 436 HD23 LEU 64 3HD2 LEU 64 -0.104 3.337 -1.608 437 H GLN 65 H GLN 65 -0.195 1.074 -4.999 438 HA GLN 65 HA GLN 65 -1.084 1.411 -7.746 439 HB2 GLN 65 1HB GLN 65 0.880 -0.108 -7.760 440 HB3 GLN 65 2HB GLN 65 0.106 -1.143 -6.577 441 HG2 GLN 65 1HG GLN 65 -1.465 -1.969 -8.106 442 HG3 GLN 65 2HG GLN 65 -1.430 -0.522 -9.094 443 HE21 GLN 65 1HE2 GLN 65 -0.564 -0.784 -10.992 444 HE22 GLN 65 2HE2 GLN 65 0.732 -1.848 -11.426 445 H ILE 66 H ILE 66 -3.114 0.320 -8.245 446 HA ILE 66 HA ILE 66 -4.902 0.331 -6.077 447 HB ILE 66 HB ILE 66 -5.127 -0.608 -8.933 448 HG12 ILE 66 1HG1 ILE 66 -4.746 1.863 -8.326 449 HG13 ILE 66 2HG1 ILE 66 -6.058 1.466 -9.418 450 HG21 ILE 66 1HG2 ILE 66 -7.695 -0.087 -7.925 451 HG22 ILE 66 2HG2 ILE 66 -7.012 -1.657 -8.412 452 HG23 ILE 66 3HG2 ILE 66 -6.904 -1.127 -6.716 453 HD11 ILE 66 1HD1 ILE 66 -7.644 2.211 -7.964 454 HD12 ILE 66 2HD1 ILE 66 -6.886 1.381 -6.584 455 HD13 ILE 66 3HD1 ILE 66 -6.295 2.980 -7.095 456 H GLY 67 H GLY 67 -5.047 -1.148 -4.485 457 HA2 GLY 67 1HA GLY 67 -5.489 -3.243 -3.649 458 HA3 GLY 67 2HA GLY 67 -5.074 -3.969 -5.189 459 H ASP 68 H ASP 68 -2.925 -1.539 -3.748 460 HA ASP 68 HA ASP 68 -0.720 -3.138 -3.924 461 HB2 ASP 68 1HB ASP 68 -1.113 -0.529 -3.409 462 HB3 ASP 68 2HB ASP 68 -0.891 -1.048 -1.750 463 H ARG 69 H ARG 69 0.650 -3.041 -1.435 464 HA ARG 69 HA ARG 69 -1.110 -4.526 0.337 465 HB2 ARG 69 1HB ARG 69 1.182 -5.848 0.832 466 HB3 ARG 69 2HB ARG 69 0.098 -6.355 -0.448 467 HG2 ARG 69 1HG ARG 69 2.287 -4.327 -1.014 468 HG3 ARG 69 2HG ARG 69 2.658 -6.039 -0.985 469 HD2 ARG 69 1HD ARG 69 0.484 -6.161 -2.589 470 HD3 ARG 69 2HD ARG 69 0.937 -4.501 -2.923 471 HE ARG 69 HE ARG 69 2.464 -6.919 -3.641 472 HH11 ARG 69 2HH2 ARG 69 2.515 -3.418 -3.289 473 HH12 ARG 69 1HH2 ARG 69 3.876 -3.205 -4.339 474 HH21 ARG 69 2HH1 ARG 69 4.260 -6.638 -5.026 475 HH22 ARG 69 1HH1 ARG 69 4.875 -5.048 -5.334 476 H VAL 70 H VAL 70 -1.282 -2.852 1.885 477 HA VAL 70 HA VAL 70 1.127 -1.495 2.730 478 HB VAL 70 HB VAL 70 -1.114 -0.405 2.331 479 HG11 VAL 70 1HG1 VAL 70 -1.857 -1.466 5.064 480 HG12 VAL 70 2HG1 VAL 70 -2.875 -0.603 3.887 481 HG13 VAL 70 3HG1 VAL 70 -2.364 -2.277 3.563 482 HG21 VAL 70 1HG2 VAL 70 0.797 -0.005 4.484 483 HG22 VAL 70 2HG2 VAL 70 -0.017 1.190 3.446 484 HG23 VAL 70 3HG2 VAL 70 -0.815 0.606 4.926 485 H MET 71 H MET 71 2.436 -2.300 4.279 486 HA MET 71 HA MET 71 1.455 -4.470 5.868 487 HB2 MET 71 1HB MET 71 4.169 -3.055 6.021 488 HB3 MET 71 2HB MET 71 3.808 -4.690 6.541 489 HG2 MET 71 1HG MET 71 3.458 -3.825 3.639 490 HG3 MET 71 2HG MET 71 4.996 -4.406 4.245 491 HE1 MET 71 1HE MET 71 4.432 -8.027 5.190 492 HE2 MET 71 2HE MET 71 5.439 -6.562 5.286 493 HE3 MET 71 3HE MET 71 4.066 -6.773 6.399 494 H ALA 72 H ALA 72 1.678 -1.028 6.118 495 HA ALA 72 HA ALA 72 0.574 -1.044 8.712 496 HB1 ALA 72 1HB ALA 72 2.957 -1.574 9.274 497 HB2 ALA 72 2HB ALA 72 3.443 -0.046 8.500 498 HB3 ALA 72 3HB ALA 72 2.407 -0.020 9.947 499 H ILE 73 H ILE 73 0.130 1.230 9.448 500 HA ILE 73 HA ILE 73 0.354 3.126 7.223 501 HB ILE 73 HB ILE 73 -2.108 2.492 8.849 502 HG12 ILE 73 1HG1 ILE 73 -1.489 2.218 5.894 503 HG13 ILE 73 2HG1 ILE 73 -1.713 0.912 7.041 504 HG21 ILE 73 1HG2 ILE 73 -2.537 4.379 6.710 505 HG22 ILE 73 2HG2 ILE 73 -2.923 4.515 8.442 506 HG23 ILE 73 3HG2 ILE 73 -1.316 4.997 7.849 507 HD11 ILE 73 1HD1 ILE 73 -3.965 1.006 6.810 508 HD12 ILE 73 2HD1 ILE 73 -3.977 2.750 7.169 509 HD13 ILE 73 3HD1 ILE 73 -3.717 2.186 5.501 510 H ASN 74 H ASN 74 1.969 4.396 8.088 511 HA ASN 74 HA ASN 74 2.779 6.017 9.294 512 HB2 ASN 74 1HB ASN 74 -0.025 6.141 9.991 513 HB3 ASN 74 2HB ASN 74 0.889 6.375 11.467 514 HD21 ASN 74 1HD2 ASN 74 -0.548 7.943 9.042 515 HD22 ASN 74 2HD2 ASN 74 0.392 9.394 8.935 516 H GLY 75 H GLY 75 2.875 3.032 9.958 517 HA2 GLY 75 1HA GLY 75 4.369 2.075 11.490 518 HA3 GLY 75 2HA GLY 75 3.976 3.312 12.667 519 H ILE 76 H ILE 76 0.984 2.759 11.550 520 HA ILE 76 HA ILE 76 0.281 1.125 13.754 521 HB ILE 76 HB ILE 76 -1.201 2.327 11.433 522 HG12 ILE 76 1HG1 ILE 76 -0.386 3.721 13.386 523 HG13 ILE 76 2HG1 ILE 76 -2.098 3.817 13.022 524 HG21 ILE 76 1HG2 ILE 76 -3.184 1.483 13.114 525 HG22 ILE 76 2HG2 ILE 76 -2.701 0.672 11.605 526 HG23 ILE 76 3HG2 ILE 76 -2.054 0.108 13.165 527 HD11 ILE 76 1HD1 ILE 76 -2.722 2.577 14.916 528 HD12 ILE 76 2HD1 ILE 76 -1.144 1.762 15.026 529 HD13 ILE 76 3HD1 ILE 76 -1.302 3.465 15.520 530 HA PRO 77 HA PRO 77 0.840 -2.699 11.779 531 HB2 PRO 77 1HB PRO 77 -0.117 -4.311 13.768 532 HB3 PRO 77 2HB PRO 77 1.522 -3.690 13.742 533 HG2 PRO 77 1HG PRO 77 -0.760 -2.828 15.412 534 HG3 PRO 77 2HG PRO 77 0.951 -2.534 15.654 535 HD2 PRO 77 1HD PRO 77 -0.990 -0.666 14.666 536 HD3 PRO 77 2HD PRO 77 0.739 -0.410 14.799 537 H THR 78 H THR 78 -0.499 -2.437 9.984 538 HA THR 78 HA THR 78 -3.302 -2.679 10.288 539 HB THR 78 HB THR 78 -2.994 -3.063 7.690 540 HG1 THR 78 1HG THR 78 -0.770 -2.562 7.098 541 HG21 THR 78 1HG2 THR 78 -3.159 -0.746 9.143 542 HG22 THR 78 2HG2 THR 78 -1.519 -0.569 8.472 543 HG23 THR 78 3HG2 THR 78 -2.912 -0.762 7.380 544 H GLU 79 H GLU 79 -3.292 -4.574 11.781 545 HA GLU 79 HA GLU 79 -4.131 -6.800 10.381 546 HB2 GLU 79 1HB GLU 79 -1.280 -6.717 10.705 547 HB3 GLU 79 2HB GLU 79 -1.885 -7.964 11.778 548 HG2 GLU 79 1HG GLU 79 -3.362 -8.595 9.605 549 HG3 GLU 79 2HG GLU 79 -2.039 -7.801 8.774 550 H ASP 80 H ASP 80 -4.978 -5.040 12.515 551 HA ASP 80 HA ASP 80 -5.866 -6.969 14.311 552 HB2 ASP 80 1HB ASP 80 -3.328 -6.174 14.986 553 HB3 ASP 80 2HB ASP 80 -4.256 -4.946 15.824 554 H SER 81 H SER 81 -6.881 -4.862 12.562 555 HA SER 81 HA SER 81 -8.248 -3.296 14.572 556 HB2 SER 81 1HB SER 81 -7.146 -2.002 12.045 557 HB3 SER 81 2HB SER 81 -7.941 -1.199 13.384 558 HG SER 81 HG SER 81 -6.153 -1.505 14.696 559 H THR 82 H THR 82 -9.730 -1.672 12.697 560 HA THR 82 HA THR 82 -11.107 -3.745 11.119 561 HB THR 82 HB THR 82 -13.214 -2.816 11.869 562 HG1 THR 82 1HG THR 82 -11.528 -0.829 13.211 563 HG21 THR 82 1HG2 THR 82 -12.249 -4.162 13.696 564 HG22 THR 82 2HG2 THR 82 -11.230 -2.794 14.203 565 HG23 THR 82 3HG2 THR 82 -12.997 -2.707 14.396 566 H PHE 83 H PHE 83 -12.165 -3.035 9.175 567 HA PHE 83 HA PHE 83 -10.699 -1.647 7.467 568 HB2 PHE 83 1HB PHE 83 -13.026 -2.847 7.265 569 HB3 PHE 83 2HB PHE 83 -13.743 -1.312 7.711 570 HD1 PHE 83 1HD PHE 83 -12.611 0.727 6.233 571 HD2 PHE 83 2HD PHE 83 -13.100 -3.310 5.019 572 HE1 PHE 83 1HE PHE 83 -12.570 1.444 3.828 573 HE2 PHE 83 2HE PHE 83 -13.060 -2.592 2.615 574 HZ PHE 83 HZ PHE 83 -12.795 -0.224 2.047 575 H GLU 84 H GLU 84 -12.978 -0.203 9.852 576 HA GLU 84 HA GLU 84 -12.864 2.371 8.838 577 HB2 GLU 84 1HB GLU 84 -13.357 1.380 11.679 578 HB3 GLU 84 2HB GLU 84 -13.640 3.029 11.156 579 HG2 GLU 84 1HG GLU 84 -14.914 1.260 9.257 580 HG3 GLU 84 2HG GLU 84 -15.375 0.747 10.868 581 H GLU 85 H GLU 85 -11.028 0.835 11.577 582 HA GLU 85 HA GLU 85 -9.558 2.832 12.447 583 HB2 GLU 85 1HB GLU 85 -8.958 -0.064 11.965 584 HB3 GLU 85 2HB GLU 85 -7.592 0.956 12.368 585 HG2 GLU 85 1HG GLU 85 -9.842 1.593 14.113 586 HG3 GLU 85 2HG GLU 85 -9.532 -0.131 14.155 587 H ALA 86 H ALA 86 -8.192 0.710 9.823 588 HA ALA 86 HA ALA 86 -6.114 2.257 9.084 589 HB1 ALA 86 1HB ALA 86 -5.980 0.829 7.307 590 HB2 ALA 86 2HB ALA 86 -7.275 -0.028 8.177 591 HB3 ALA 86 3HB ALA 86 -7.680 1.078 6.843 592 H ASN 87 H ASN 87 -9.553 2.597 8.014 593 HA ASN 87 HA ASN 87 -9.125 4.593 6.189 594 HB2 ASN 87 1HB ASN 87 -11.325 3.236 7.174 595 HB3 ASN 87 2HB ASN 87 -11.598 4.823 7.865 596 HD21 ASN 87 1HD2 ASN 87 -13.078 3.403 5.813 597 HD22 ASN 87 2HD2 ASN 87 -13.099 4.397 4.395 598 H GLN 88 H GLN 88 -10.004 4.746 9.721 599 HA GLN 88 HA GLN 88 -10.161 7.458 9.947 600 HB2 GLN 88 1HB GLN 88 -10.260 5.244 11.666 601 HB3 GLN 88 2HB GLN 88 -8.924 6.186 12.297 602 HG2 GLN 88 1HG GLN 88 -11.116 6.849 13.310 603 HG3 GLN 88 2HG GLN 88 -10.333 8.183 12.487 604 HE21 GLN 88 1HE2 GLN 88 -12.405 5.414 11.610 605 HE22 GLN 88 2HE2 GLN 88 -13.550 6.293 10.652 606 H LEU 89 H LEU 89 -7.276 5.297 10.288 607 HA LEU 89 HA LEU 89 -5.401 6.999 11.166 608 HB2 LEU 89 1HB LEU 89 -5.053 5.051 8.883 609 HB3 LEU 89 2HB LEU 89 -3.779 5.697 9.899 610 HG LEU 89 HG LEU 89 -5.934 3.715 10.610 611 HD11 LEU 89 1HD1 LEU 89 -3.998 2.401 11.414 612 HD12 LEU 89 2HD1 LEU 89 -3.904 2.791 9.680 613 HD13 LEU 89 3HD1 LEU 89 -2.913 3.695 10.851 614 HD21 LEU 89 1HD2 LEU 89 -5.087 3.860 12.978 615 HD22 LEU 89 2HD2 LEU 89 -4.296 5.388 12.525 616 HD23 LEU 89 3HD2 LEU 89 -6.067 5.240 12.428 617 H LEU 90 H LEU 90 -6.682 6.810 7.794 618 HA LEU 90 HA LEU 90 -4.959 8.733 6.735 619 HB2 LEU 90 1HB LEU 90 -7.659 7.668 5.953 620 HB3 LEU 90 2HB LEU 90 -6.894 8.955 5.042 621 HG LEU 90 HG LEU 90 -5.962 6.108 5.401 622 HD11 LEU 90 1HD1 LEU 90 -7.047 7.765 3.184 623 HD12 LEU 90 2HD1 LEU 90 -5.770 6.595 2.776 624 HD13 LEU 90 3HD1 LEU 90 -7.272 6.038 3.553 625 HD21 LEU 90 1HD2 LEU 90 -3.899 7.061 5.641 626 HD22 LEU 90 2HD2 LEU 90 -4.010 7.016 3.865 627 HD23 LEU 90 3HD2 LEU 90 -4.343 8.531 4.739 628 H ARG 91 H ARG 91 -8.498 9.197 7.415 629 HA ARG 91 HA ARG 91 -8.671 11.792 7.207 630 HB2 ARG 91 1HB ARG 91 -9.825 10.070 9.453 631 HB3 ARG 91 2HB ARG 91 -10.345 11.718 9.168 632 HG2 ARG 91 1HG ARG 91 -10.425 10.450 6.619 633 HG3 ARG 91 2HG ARG 91 -11.096 9.283 7.741 634 HD2 ARG 91 1HD ARG 91 -13.023 10.503 7.278 635 HD3 ARG 91 2HD ARG 91 -12.442 11.414 8.657 636 HE ARG 91 HE ARG 91 -11.176 12.676 6.570 637 HH11 ARG 91 2HH2 ARG 91 -14.534 11.783 7.121 638 HH12 ARG 91 1HH2 ARG 91 -15.170 13.096 6.187 639 HH21 ARG 91 2HH1 ARG 91 -12.014 14.408 5.337 640 HH22 ARG 91 1HH1 ARG 91 -13.727 14.598 5.164 641 H ASP 92 H ASP 92 -7.345 10.069 10.102 642 HA ASP 92 HA ASP 92 -7.006 12.283 11.689 643 HB2 ASP 92 1HB ASP 92 -6.342 9.522 11.747 644 HB3 ASP 92 2HB ASP 92 -4.817 10.353 11.974 645 H SER 93 H SER 93 -4.603 10.515 9.583 646 HA SER 93 HA SER 93 -2.436 12.010 9.930 647 HB2 SER 93 1HB SER 93 -3.433 11.061 7.207 648 HB3 SER 93 2HB SER 93 -1.766 11.393 7.632 649 HG SER 93 HG SER 93 -1.846 9.236 7.973 650 H SER 94 H SER 94 -5.235 12.782 7.772 651 HA SER 94 HA SER 94 -4.374 14.863 6.399 652 HB2 SER 94 1HB SER 94 -6.614 15.539 6.187 653 HB3 SER 94 2HB SER 94 -6.771 13.862 6.671 654 HG SER 94 HG SER 94 -8.038 15.719 7.837 655 H ILE 95 H ILE 95 -4.835 14.725 9.914 656 HA ILE 95 HA ILE 95 -5.014 17.393 10.536 657 HB ILE 95 HB ILE 95 -3.847 15.005 11.924 658 HG12 ILE 95 1HG1 ILE 95 -6.158 16.711 12.825 659 HG13 ILE 95 2HG1 ILE 95 -6.379 15.526 11.552 660 HG21 ILE 95 1HG2 ILE 95 -3.727 17.879 12.819 661 HG22 ILE 95 2HG2 ILE 95 -3.809 16.541 13.989 662 HG23 ILE 95 3HG2 ILE 95 -2.453 16.637 12.840 663 HD11 ILE 95 1HD1 ILE 95 -5.424 13.756 13.066 664 HD12 ILE 95 2HD1 ILE 95 -5.319 14.973 14.361 665 HD13 ILE 95 3HD1 ILE 95 -6.907 14.498 13.712 666 H THR 96 H THR 96 -1.921 15.494 10.721 667 HA THR 96 HA THR 96 -0.346 17.838 10.657 668 HB THR 96 HB THR 96 0.317 15.658 11.702 669 HG1 THR 96 1HG THR 96 1.890 16.385 9.335 670 HG21 THR 96 1HG2 THR 96 0.853 14.695 8.858 671 HG22 THR 96 2HG2 THR 96 0.946 13.761 10.370 672 HG23 THR 96 3HG2 THR 96 -0.638 14.244 9.719 673 H SER 97 H SER 97 -2.162 16.330 8.212 674 HA SER 97 HA SER 97 -2.331 16.755 6.086 675 HB2 SER 97 1HB SER 97 -0.725 19.003 7.003 676 HB3 SER 97 2HB SER 97 -0.222 18.542 5.389 677 HG SER 97 HG SER 97 -2.040 19.339 4.588 678 H LYS 98 H LYS 98 -0.435 14.751 7.312 679 HA LYS 98 HA LYS 98 0.925 14.082 4.853 680 HB2 LYS 98 1HB LYS 98 2.422 15.547 6.493 681 HB3 LYS 98 2HB LYS 98 2.640 14.010 7.305 682 HG2 LYS 98 1HG LYS 98 4.317 13.703 5.773 683 HG3 LYS 98 2HG LYS 98 3.013 13.214 4.710 684 HD2 LYS 98 1HD LYS 98 3.471 14.950 3.329 685 HD3 LYS 98 2HD LYS 98 3.123 16.082 4.621 686 HE2 LYS 98 1HE LYS 98 5.823 14.687 4.317 687 HE3 LYS 98 2HE LYS 98 5.472 16.251 3.608 688 HZ1 LYS 98 1HZ LYS 98 6.453 16.012 5.998 689 HZ2 LYS 98 2HZ LYS 98 5.432 17.230 5.623 690 HZ3 LYS 98 3HZ LYS 98 4.878 15.916 6.419 691 H VAL 99 H VAL 99 0.598 11.955 4.462 692 HA VAL 99 HA VAL 99 -0.084 10.301 6.794 693 HB VAL 99 HB VAL 99 -1.954 10.742 5.269 694 HG11 VAL 99 1HG1 VAL 99 -0.119 9.506 3.200 695 HG12 VAL 99 2HG1 VAL 99 -1.882 9.631 2.988 696 HG13 VAL 99 3HG1 VAL 99 -0.900 11.105 3.167 697 HG21 VAL 99 1HG2 VAL 99 -2.700 8.726 5.857 698 HG22 VAL 99 2HG2 VAL 99 -1.734 7.965 4.570 699 HG23 VAL 99 3HG2 VAL 99 -1.026 8.218 6.183 700 H THR 100 H THR 100 0.874 8.239 6.970 701 HA THR 100 HA THR 100 3.035 7.746 5.026 702 HB THR 100 HB THR 100 2.953 7.584 8.072 703 HG1 THR 100 1HG THR 100 4.922 8.891 7.580 704 HG21 THR 100 1HG2 THR 100 5.288 6.670 6.348 705 HG22 THR 100 2HG2 THR 100 5.021 6.396 8.086 706 HG23 THR 100 3HG2 THR 100 4.056 5.503 6.886 707 H LEU 101 H LEU 101 2.827 5.935 3.884 708 HA LEU 101 HA LEU 101 1.263 3.781 5.127 709 HB2 LEU 101 1HB LEU 101 1.308 4.542 2.204 710 HB3 LEU 101 2HB LEU 101 0.414 3.215 2.920 711 HG LEU 101 HG LEU 101 -0.055 6.103 3.689 712 HD11 LEU 101 1HD1 LEU 101 -2.169 5.089 2.057 713 HD12 LEU 101 2HD1 LEU 101 -1.111 6.494 1.781 714 HD13 LEU 101 3HD1 LEU 101 -0.630 4.887 1.185 715 HD21 LEU 101 1HD2 LEU 101 -0.794 4.231 5.227 716 HD22 LEU 101 2HD2 LEU 101 -2.063 5.357 4.690 717 HD23 LEU 101 3HD2 LEU 101 -1.930 3.746 3.944 718 H GLU 102 H GLU 102 2.354 1.903 5.386 719 HA GLU 102 HA GLU 102 4.965 1.778 4.164 720 HB2 GLU 102 1HB GLU 102 4.391 1.310 6.678 721 HB3 GLU 102 2HB GLU 102 3.824 -0.249 6.112 722 HG2 GLU 102 1HG GLU 102 5.957 -0.983 5.533 723 HG3 GLU 102 2HG GLU 102 6.525 0.626 5.132 724 H ILE 103 H ILE 103 5.077 0.872 2.154 725 HA ILE 103 HA ILE 103 3.251 -1.360 1.609 726 HB ILE 103 HB ILE 103 4.624 0.515 -0.319 727 HG12 ILE 103 1HG1 ILE 103 2.740 1.419 1.221 728 HG13 ILE 103 2HG1 ILE 103 2.680 1.747 -0.500 729 HG21 ILE 103 1HG2 ILE 103 2.736 -1.809 -0.707 730 HG22 ILE 103 2HG2 ILE 103 2.943 -0.528 -1.926 731 HG23 ILE 103 3HG2 ILE 103 4.333 -1.530 -1.444 732 HD11 ILE 103 1HD1 ILE 103 1.207 -0.534 0.901 733 HD12 ILE 103 2HD1 ILE 103 0.472 0.995 0.361 734 HD13 ILE 103 3HD1 ILE 103 1.120 -0.152 -0.836 735 H GLU 104 H GLU 104 4.200 -3.044 0.061 736 HA GLU 104 HA GLU 104 7.066 -3.264 0.368 737 HB2 GLU 104 1HB GLU 104 6.510 -4.548 2.254 738 HB3 GLU 104 2HB GLU 104 5.026 -5.151 1.544 739 HG2 GLU 104 1HG GLU 104 6.104 -6.829 0.345 740 HG3 GLU 104 2HG GLU 104 7.570 -5.892 0.134 741 H PHE 105 H PHE 105 7.982 -3.912 -1.543 742 HA PHE 105 HA PHE 105 6.234 -5.364 -3.401 743 HB2 PHE 105 1HB PHE 105 7.578 -4.013 -5.163 744 HB3 PHE 105 2HB PHE 105 6.462 -3.066 -4.199 745 HD1 PHE 105 1HD PHE 105 7.470 -1.945 -2.064 746 HD2 PHE 105 2HD PHE 105 9.791 -3.338 -5.331 747 HE1 PHE 105 1HE PHE 105 9.349 -0.431 -1.374 748 HE2 PHE 105 2HE PHE 105 11.671 -1.824 -4.642 749 HZ PHE 105 HZ PHE 105 11.427 -0.388 -2.672 750 H ASP 106 H ASP 106 7.782 -6.207 -5.340 751 HA ASP 106 HA ASP 106 9.898 -7.616 -3.933 752 HB2 ASP 106 1HB ASP 106 8.849 -8.334 -6.688 753 HB3 ASP 106 2HB ASP 106 9.634 -9.380 -5.522 754 H VAL 107 H VAL 107 11.956 -8.010 -5.237 755 HA VAL 107 HA VAL 107 12.386 -5.847 -7.182 756 HB VAL 107 HB VAL 107 14.393 -7.027 -5.255 757 HG11 VAL 107 1HG1 VAL 107 15.948 -5.544 -6.076 758 HG12 VAL 107 2HG1 VAL 107 15.015 -5.871 -7.556 759 HG13 VAL 107 3HG1 VAL 107 14.717 -4.382 -6.626 760 HG21 VAL 107 1HG2 VAL 107 14.166 -4.620 -4.251 761 HG22 VAL 107 2HG2 VAL 107 12.559 -4.655 -5.016 762 HG23 VAL 107 3HG2 VAL 107 12.994 -5.882 -3.802 763 H ALA 108 H ALA 108 13.631 -6.348 -9.044 764 HA ALA 108 HA ALA 108 13.433 -9.090 -9.822 765 HB1 ALA 108 1HB ALA 108 13.372 -8.117 -11.846 766 HB2 ALA 108 2HB ALA 108 13.595 -6.536 -11.060 767 HB3 ALA 108 3HB ALA 108 15.010 -7.461 -11.615 768 H GLU 109 H GLU 109 15.125 -10.570 -10.220 769 HA GLU 109 HA GLU 109 17.444 -10.040 -8.626 770 HB2 GLU 109 1HB GLU 109 16.591 -12.513 -10.196 771 HB3 GLU 109 2HB GLU 109 17.989 -12.442 -9.142 772 HG2 GLU 109 1HG GLU 109 16.117 -11.501 -7.407 773 HG3 GLU 109 2HG GLU 109 15.070 -12.463 -8.432 774 H SER 110 H SER 110 19.578 -9.805 -9.374 775 HA SER 110 HA SER 110 19.877 -8.703 -11.884 776 HB2 SER 110 1HB SER 110 21.886 -9.844 -9.904 777 HB3 SER 110 2HB SER 110 22.386 -9.057 -11.388 778 HG SER 110 HG SER 110 20.590 -7.411 -10.251 779 H VAL 111 H VAL 111 19.274 -9.973 -13.658 780 HA VAL 111 HA VAL 111 20.851 -12.423 -14.010 781 HB VAL 111 HB VAL 111 17.902 -11.964 -14.386 782 HG11 VAL 111 1HG1 VAL 111 19.526 -14.215 -15.621 783 HG12 VAL 111 2HG1 VAL 111 17.754 -14.047 -15.656 784 HG13 VAL 111 3HG1 VAL 111 18.777 -12.867 -16.510 785 HG21 VAL 111 1HG2 VAL 111 18.924 -14.529 -13.346 786 HG22 VAL 111 2HG2 VAL 111 19.321 -13.113 -12.343 787 HG23 VAL 111 3HG2 VAL 111 17.623 -13.477 -12.738 788 H ILE 112 H ILE 112 21.291 -12.959 -16.281 789 HA ILE 112 HA ILE 112 22.153 -10.786 -17.734 790 HB ILE 112 HB ILE 112 21.749 -13.680 -18.226 791 HG12 ILE 112 1HG1 ILE 112 24.212 -12.396 -19.133 792 HG13 ILE 112 2HG1 ILE 112 23.852 -12.024 -17.459 793 HG21 ILE 112 1HG2 ILE 112 21.045 -13.310 -20.338 794 HG22 ILE 112 2HG2 ILE 112 21.664 -11.642 -20.374 795 HG23 ILE 112 3HG2 ILE 112 22.776 -13.009 -20.627 796 HD11 ILE 112 1HD1 ILE 112 23.899 -14.291 -16.795 797 HD12 ILE 112 2HD1 ILE 112 23.610 -14.878 -18.451 798 HD13 ILE 112 3HD1 ILE 112 25.199 -14.208 -18.009 799 HA PRO 113 HA PRO 113 18.528 -9.307 -19.573 800 HB2 PRO 113 1HB PRO 113 19.618 -7.645 -21.449 801 HB3 PRO 113 2HB PRO 113 19.416 -7.192 -19.768 802 HG2 PRO 113 1HG PRO 113 21.889 -7.951 -21.198 803 HG3 PRO 113 2HG PRO 113 21.719 -7.102 -19.675 804 HD2 PRO 113 1HD PRO 113 22.439 -9.855 -20.033 805 HD3 PRO 113 2HD PRO 113 22.156 -9.035 -18.510 806 H SER 114 H SER 114 17.192 -9.266 -21.514 807 HA SER 114 HA SER 114 18.294 -11.141 -23.452 808 HB2 SER 114 1HB SER 114 16.349 -11.863 -21.675 809 HB3 SER 114 2HB SER 114 15.344 -11.216 -22.957 810 HG SER 114 HG SER 114 16.167 -13.631 -22.933 811 H SER 115 H SER 115 18.819 -9.064 -24.598 812 HA SER 115 HA SER 115 17.178 -7.081 -25.224 813 HB2 SER 115 1HB SER 115 19.021 -8.501 -27.199 814 HB3 SER 115 2HB SER 115 18.433 -6.859 -27.367 815 HG SER 115 HG SER 115 19.693 -6.172 -25.665 816 H GLY 116 H GLY 116 15.839 -6.579 -27.204 817 HA2 GLY 116 1HA GLY 116 14.795 -7.679 -29.178 818 HA3 GLY 116 2HA GLY 116 14.370 -8.989 -28.095 819 H SER 117 H SER 117 12.119 -8.397 -28.917 820 HA SER 117 HA SER 117 10.880 -6.057 -28.518 821 HB2 SER 117 1HB SER 117 8.783 -7.322 -28.400 822 HB3 SER 117 2HB SER 117 9.858 -8.066 -29.566 823 HG SER 117 HG SER 117 10.501 -9.333 -27.383 824 H GLY 118 H GLY 118 10.521 -4.755 -26.759 825 HA2 GLY 118 1HA GLY 118 11.113 -5.742 -24.114 826 HA3 GLY 118 2HA GLY 118 10.679 -4.110 -24.581 827 HA PRO 119 HA PRO 119 6.988 -5.639 -22.557 828 HB2 PRO 119 1HB PRO 119 6.371 -3.328 -21.233 829 HB3 PRO 119 2HB PRO 119 7.357 -4.598 -20.536 830 HG2 PRO 119 1HG PRO 119 8.200 -1.976 -21.611 831 HG3 PRO 119 2HG PRO 119 9.075 -3.058 -20.546 832 HD2 PRO 119 1HD PRO 119 9.523 -2.680 -23.354 833 HD3 PRO 119 2HD PRO 119 10.318 -3.845 -22.313 834 H SER 120 H SER 120 4.895 -5.674 -23.236 835 HA SER 120 HA SER 120 4.249 -3.427 -24.973 836 HB2 SER 120 1HB SER 120 2.967 -5.138 -26.397 837 HB3 SER 120 2HB SER 120 4.715 -5.175 -26.520 838 HG SER 120 HG SER 120 3.540 -6.827 -24.525 839 H SER 121 H SER 121 2.065 -2.702 -24.858 840 HA SER 121 HA SER 121 0.240 -4.270 -23.290 841 HB2 SER 121 1HB SER 121 1.586 -2.752 -21.700 842 HB3 SER 121 2HB SER 121 0.804 -1.391 -22.477 843 HG SER 121 HG SER 121 -1.147 -3.154 -21.856 844 H GLY 122 H GLY 122 0.783 -0.933 -24.654 845 HA2 GLY 122 1HA GLY 122 -0.887 -1.091 -26.813 846 HA3 GLY 122 2HA GLY 122 -1.949 -0.675 -25.482 Start of MODEL 16 1 H1 GLY 1 H GLY 1 36.371 -36.977 4.327 2 HA2 GLY 1 1HA GLY 1 37.373 -35.772 1.954 3 HA3 GLY 1 2HA GLY 1 36.025 -36.830 1.588 4 H SER 2 H SER 2 36.464 -33.735 1.728 5 HA SER 2 HA SER 2 34.742 -32.917 3.812 6 HB2 SER 2 1HB SER 2 34.933 -30.682 2.771 7 HB3 SER 2 2HB SER 2 36.506 -31.439 2.928 8 HG SER 2 HG SER 2 34.921 -31.055 0.559 9 H SER 3 H SER 3 32.533 -32.279 3.688 10 HA SER 3 HA SER 3 31.225 -33.230 1.272 11 HB2 SER 3 1HB SER 3 30.584 -34.299 3.445 12 HB3 SER 3 2HB SER 3 30.069 -32.738 4.053 13 HG SER 3 HG SER 3 28.294 -34.031 3.196 14 H GLY 4 H GLY 4 30.814 -31.574 -0.153 15 HA2 GLY 4 1HA GLY 4 29.285 -29.300 0.743 16 HA3 GLY 4 2HA GLY 4 30.924 -28.899 0.269 17 H SER 5 H SER 5 28.756 -27.849 -1.163 18 HA SER 5 HA SER 5 29.341 -28.955 -3.729 19 HB2 SER 5 1HB SER 5 27.309 -30.245 -2.761 20 HB3 SER 5 2HB SER 5 26.412 -28.750 -2.936 21 HG SER 5 HG SER 5 26.538 -30.484 -4.789 22 H SER 6 H SER 6 29.348 -27.305 -5.268 23 HA SER 6 HA SER 6 29.007 -24.691 -4.305 24 HB2 SER 6 1HB SER 6 30.686 -25.239 -6.013 25 HB3 SER 6 2HB SER 6 29.440 -25.777 -7.122 26 HG SER 6 HG SER 6 29.506 -23.086 -6.069 27 H GLY 7 H GLY 7 27.117 -23.542 -4.154 28 HA2 GLY 7 1HA GLY 7 25.268 -22.710 -5.605 29 HA3 GLY 7 2HA GLY 7 24.870 -24.394 -5.880 30 H ALA 8 H ALA 8 23.979 -21.725 -4.120 31 HA ALA 8 HA ALA 8 23.110 -23.359 -1.834 32 HB1 ALA 8 1HB ALA 8 23.886 -20.448 -2.127 33 HB2 ALA 8 2HB ALA 8 22.852 -20.993 -0.784 34 HB3 ALA 8 3HB ALA 8 24.493 -21.657 -0.971 35 H GLY 9 H GLY 9 22.136 -20.412 -3.739 36 HA2 GLY 9 1HA GLY 9 20.143 -20.313 -4.983 37 HA3 GLY 9 2HA GLY 9 19.445 -21.573 -3.984 38 H GLN 10 H GLN 10 20.480 -18.129 -4.033 39 HA GLN 10 HA GLN 10 19.205 -17.657 -1.517 40 HB2 GLN 10 1HB GLN 10 19.831 -15.209 -2.137 41 HB3 GLN 10 2HB GLN 10 21.134 -16.336 -1.814 42 HG2 GLN 10 1HG GLN 10 21.693 -16.560 -4.110 43 HG3 GLN 10 2HG GLN 10 20.119 -16.013 -4.651 44 HE21 GLN 10 1HE2 GLN 10 23.308 -15.168 -3.905 45 HE22 GLN 10 2HE2 GLN 10 23.203 -13.446 -4.063 46 H VAL 11 H VAL 11 17.063 -17.191 -1.265 47 HA VAL 11 HA VAL 11 15.439 -16.862 -3.595 48 HB VAL 11 HB VAL 11 13.607 -16.913 -2.046 49 HG11 VAL 11 1HG1 VAL 11 14.034 -19.115 -2.194 50 HG12 VAL 11 2HG1 VAL 11 15.781 -18.890 -1.937 51 HG13 VAL 11 3HG1 VAL 11 14.677 -18.959 -0.542 52 HG21 VAL 11 1HG2 VAL 11 13.846 -16.835 0.353 53 HG22 VAL 11 2HG2 VAL 11 15.620 -16.768 0.221 54 HG23 VAL 11 3HG2 VAL 11 14.633 -15.397 -0.341 55 H VAL 12 H VAL 12 13.724 -15.026 -3.590 56 HA VAL 12 HA VAL 12 15.195 -12.571 -3.563 57 HB VAL 12 HB VAL 12 13.420 -13.449 -5.230 58 HG11 VAL 12 1HG1 VAL 12 11.802 -13.312 -2.949 59 HG12 VAL 12 2HG1 VAL 12 11.319 -11.911 -3.935 60 HG13 VAL 12 3HG1 VAL 12 11.269 -13.549 -4.631 61 HG21 VAL 12 1HG2 VAL 12 12.720 -10.647 -4.632 62 HG22 VAL 12 2HG2 VAL 12 14.469 -10.970 -4.704 63 HG23 VAL 12 3HG2 VAL 12 13.432 -11.369 -6.095 64 H HIS 13 H HIS 13 14.209 -10.556 -2.528 65 HA HIS 13 HA HIS 13 12.999 -11.276 0.039 66 HB2 HIS 13 1HB HIS 13 14.378 -9.609 1.146 67 HB3 HIS 13 2HB HIS 13 15.369 -10.836 0.382 68 HD1 HIS 13 1HD HIS 13 16.621 -10.115 -1.887 69 HD2 HIS 13 2HD HIS 13 14.835 -7.005 0.289 70 HE1 HIS 13 1HE HIS 13 17.628 -7.948 -2.780 71 H THR 14 H THR 14 11.980 -9.238 1.108 72 HA THR 14 HA THR 14 10.791 -7.582 -1.020 73 HB THR 14 HB THR 14 8.807 -7.646 0.777 74 HG1 THR 14 1HG THR 14 8.993 -9.565 2.040 75 HG21 THR 14 1HG2 THR 14 8.806 -8.736 -1.569 76 HG22 THR 14 2HG2 THR 14 9.413 -10.209 -0.775 77 HG23 THR 14 3HG2 THR 14 7.815 -9.557 -0.339 78 H GLU 15 H GLU 15 10.803 -5.409 -0.766 79 HA GLU 15 HA GLU 15 11.836 -4.496 1.806 80 HB2 GLU 15 1HB GLU 15 12.337 -3.353 -0.977 81 HB3 GLU 15 2HB GLU 15 12.853 -2.580 0.509 82 HG2 GLU 15 1HG GLU 15 14.108 -4.743 1.083 83 HG3 GLU 15 2HG GLU 15 13.736 -5.309 -0.533 84 H THR 16 H THR 16 10.882 -2.616 2.737 85 HA THR 16 HA THR 16 8.294 -1.928 1.536 86 HB THR 16 HB THR 16 8.305 -0.905 4.099 87 HG1 THR 16 1HG THR 16 9.624 -2.358 5.318 88 HG21 THR 16 1HG2 THR 16 7.885 -3.879 3.519 89 HG22 THR 16 2HG2 THR 16 7.116 -2.912 4.800 90 HG23 THR 16 3HG2 THR 16 6.686 -2.634 3.095 91 H THR 17 H THR 17 7.741 0.122 0.937 92 HA THR 17 HA THR 17 9.915 2.099 1.161 93 HB THR 17 HB THR 17 9.363 1.193 -1.158 94 HG1 THR 17 1HG THR 17 9.335 3.406 -1.933 95 HG21 THR 17 1HG2 THR 17 6.721 2.600 -0.518 96 HG22 THR 17 2HG2 THR 17 7.269 2.255 -2.176 97 HG23 THR 17 3HG2 THR 17 6.933 0.916 -1.052 98 H GLU 18 H GLU 18 9.474 4.179 1.844 99 HA GLU 18 HA GLU 18 6.913 4.385 3.179 100 HB2 GLU 18 1HB GLU 18 8.747 4.814 4.652 101 HB3 GLU 18 2HB GLU 18 9.566 5.830 3.482 102 HG2 GLU 18 1HG GLU 18 6.900 6.892 4.000 103 HG3 GLU 18 2HG GLU 18 7.738 6.646 5.519 104 H VAL 19 H VAL 19 5.301 5.718 2.443 105 HA VAL 19 HA VAL 19 6.056 7.604 0.319 106 HB VAL 19 HB VAL 19 3.341 6.368 0.751 107 HG11 VAL 19 1HG1 VAL 19 3.434 8.410 -0.620 108 HG12 VAL 19 2HG1 VAL 19 4.640 7.643 -1.681 109 HG13 VAL 19 3HG1 VAL 19 2.987 6.989 -1.593 110 HG21 VAL 19 1HG2 VAL 19 4.392 5.082 -1.452 111 HG22 VAL 19 2HG2 VAL 19 5.776 5.132 -0.334 112 HG23 VAL 19 3HG2 VAL 19 4.242 4.390 0.181 113 H VAL 20 H VAL 20 5.840 9.730 0.792 114 HA VAL 20 HA VAL 20 4.256 10.379 3.173 115 HB VAL 20 HB VAL 20 6.581 11.744 1.814 116 HG11 VAL 20 1HG1 VAL 20 5.265 12.764 4.329 117 HG12 VAL 20 2HG1 VAL 20 6.380 13.600 3.221 118 HG13 VAL 20 3HG1 VAL 20 4.701 13.281 2.722 119 HG21 VAL 20 1HG2 VAL 20 7.459 10.049 3.154 120 HG22 VAL 20 2HG2 VAL 20 7.492 11.464 4.233 121 HG23 VAL 20 3HG2 VAL 20 6.206 10.246 4.402 122 H LEU 21 H LEU 21 2.259 11.161 2.770 123 HA LEU 21 HA LEU 21 1.932 12.705 0.291 124 HB2 LEU 21 1HB LEU 21 -0.211 11.117 1.696 125 HB3 LEU 21 2HB LEU 21 -0.301 11.892 0.126 126 HG LEU 21 HG LEU 21 1.711 9.708 0.619 127 HD11 LEU 21 1HD1 LEU 21 0.035 8.319 1.158 128 HD12 LEU 21 2HD1 LEU 21 -1.220 9.428 0.554 129 HD13 LEU 21 3HD1 LEU 21 -0.343 8.374 -0.581 130 HD21 LEU 21 1HD2 LEU 21 0.769 11.262 -1.649 131 HD22 LEU 21 2HD2 LEU 21 2.204 10.220 -1.488 132 HD23 LEU 21 3HD2 LEU 21 0.635 9.511 -1.942 133 H THR 22 H THR 22 0.893 14.702 0.412 134 HA THR 22 HA THR 22 0.507 15.672 3.158 135 HB THR 22 HB THR 22 0.803 17.348 0.630 136 HG1 THR 22 1HG THR 22 3.056 17.003 0.889 137 HG21 THR 22 1HG2 THR 22 1.842 17.782 3.473 138 HG22 THR 22 2HG2 THR 22 1.768 18.975 2.154 139 HG23 THR 22 3HG2 THR 22 0.268 18.404 2.923 140 H ALA 23 H ALA 23 -1.536 15.476 3.845 141 HA ALA 23 HA ALA 23 -3.754 15.066 2.364 142 HB1 ALA 23 1HB ALA 23 -3.560 14.978 4.850 143 HB2 ALA 23 2HB ALA 23 -3.569 16.757 4.889 144 HB3 ALA 23 3HB ALA 23 -4.999 15.873 4.306 145 H ASP 24 H ASP 24 -4.061 16.172 0.441 146 HA ASP 24 HA ASP 24 -3.488 18.793 0.013 147 HB2 ASP 24 1HB ASP 24 -4.784 16.668 -1.362 148 HB3 ASP 24 2HB ASP 24 -5.933 17.992 -1.392 149 HA PRO 25 HA PRO 25 -6.837 20.979 1.816 150 HB2 PRO 25 1HB PRO 25 -7.363 23.001 0.054 151 HB3 PRO 25 2HB PRO 25 -6.015 23.032 1.174 152 HG2 PRO 25 1HG PRO 25 -5.992 22.534 -1.740 153 HG3 PRO 25 2HG PRO 25 -4.662 22.986 -0.693 154 HD2 PRO 25 1HD PRO 25 -5.198 20.377 -1.757 155 HD3 PRO 25 2HD PRO 25 -3.937 20.806 -0.619 156 H VAL 26 H VAL 26 -7.327 19.360 -1.076 157 HA VAL 26 HA VAL 26 -10.222 19.555 -0.613 158 HB VAL 26 HB VAL 26 -8.666 19.502 -3.198 159 HG11 VAL 26 1HG1 VAL 26 -11.681 19.343 -3.002 160 HG12 VAL 26 2HG1 VAL 26 -10.643 19.107 -4.429 161 HG13 VAL 26 3HG1 VAL 26 -10.658 17.892 -3.128 162 HG21 VAL 26 1HG2 VAL 26 -9.061 21.702 -2.058 163 HG22 VAL 26 2HG2 VAL 26 -9.783 21.577 -3.681 164 HG23 VAL 26 3HG2 VAL 26 -10.810 21.422 -2.235 165 H THR 27 H THR 27 -7.632 17.570 -2.221 166 HA THR 27 HA THR 27 -9.110 15.189 -1.316 167 HB THR 27 HB THR 27 -7.731 14.124 -3.235 168 HG1 THR 27 1HG THR 27 -7.560 16.922 -4.020 169 HG21 THR 27 1HG2 THR 27 -9.792 14.437 -4.215 170 HG22 THR 27 2HG2 THR 27 -9.993 16.041 -3.469 171 HG23 THR 27 3HG2 THR 27 -9.043 15.868 -4.964 172 H GLY 28 H GLY 28 -8.137 15.642 0.852 173 HA2 GLY 28 1HA GLY 28 -5.741 15.851 1.778 174 HA3 GLY 28 2HA GLY 28 -6.733 14.509 2.313 175 H PHE 29 H PHE 29 -6.443 12.371 1.348 176 HA PHE 29 HA PHE 29 -3.818 12.129 0.056 177 HB2 PHE 29 1HB PHE 29 -5.412 10.080 1.702 178 HB3 PHE 29 2HB PHE 29 -3.730 9.941 1.230 179 HD1 PHE 29 2HD PHE 29 -2.374 12.247 2.003 180 HD2 PHE 29 1HD PHE 29 -5.699 10.463 3.946 181 HE1 PHE 29 2HE PHE 29 -1.679 13.309 4.169 182 HE2 PHE 29 1HE PHE 29 -5.003 11.525 6.111 183 HZ PHE 29 HZ PHE 29 -3.001 12.935 6.197 184 H GLY 30 H GLY 30 -7.263 11.547 -0.149 185 HA2 GLY 30 1HA GLY 30 -8.553 10.487 -1.657 186 HA3 GLY 30 2HA GLY 30 -7.309 10.912 -2.816 187 H ILE 31 H ILE 31 -7.644 8.558 -0.054 188 HA ILE 31 HA ILE 31 -6.778 6.474 -1.930 189 HB ILE 31 HB ILE 31 -5.920 6.661 0.956 190 HG12 ILE 31 1HG1 ILE 31 -4.404 7.475 -1.541 191 HG13 ILE 31 2HG1 ILE 31 -4.958 8.540 -0.264 192 HG21 ILE 31 1HG2 ILE 31 -6.067 4.446 -0.550 193 HG22 ILE 31 2HG2 ILE 31 -4.465 5.033 -1.058 194 HG23 ILE 31 3HG2 ILE 31 -4.794 4.720 0.663 195 HD11 ILE 31 1HD1 ILE 31 -3.311 7.869 1.216 196 HD12 ILE 31 2HD1 ILE 31 -3.275 6.205 0.584 197 HD13 ILE 31 3HD1 ILE 31 -2.459 7.513 -0.306 198 H GLN 32 H GLN 32 -7.818 4.466 -1.719 199 HA GLN 32 HA GLN 32 -9.931 4.441 0.288 200 HB2 GLN 32 1HB GLN 32 -10.101 4.068 -2.676 201 HB3 GLN 32 2HB GLN 32 -11.062 2.969 -1.707 202 HG2 GLN 32 1HG GLN 32 -11.213 5.809 -0.830 203 HG3 GLN 32 2HG GLN 32 -11.840 5.525 -2.441 204 HE21 GLN 32 1HE2 GLN 32 -13.927 5.986 -1.754 205 HE22 GLN 32 2HE2 GLN 32 -14.886 4.871 -0.838 206 H LEU 33 H LEU 33 -9.966 2.612 1.549 207 HA LEU 33 HA LEU 33 -8.080 0.518 0.824 208 HB2 LEU 33 1HB LEU 33 -9.566 1.110 3.387 209 HB3 LEU 33 2HB LEU 33 -8.463 -0.232 3.159 210 HG LEU 33 HG LEU 33 -7.359 1.558 4.345 211 HD11 LEU 33 1HD1 LEU 33 -6.356 0.276 2.110 212 HD12 LEU 33 2HD1 LEU 33 -5.932 1.982 1.832 213 HD13 LEU 33 3HD1 LEU 33 -5.414 1.168 3.328 214 HD21 LEU 33 1HD2 LEU 33 -7.646 3.391 1.973 215 HD22 LEU 33 2HD2 LEU 33 -8.863 3.352 3.271 216 HD23 LEU 33 3HD2 LEU 33 -7.175 3.774 3.646 217 H GLN 34 H GLN 34 -8.735 -1.785 1.068 218 HA GLN 34 HA GLN 34 -11.491 -2.054 0.170 219 HB2 GLN 34 1HB GLN 34 -10.801 -4.066 -0.994 220 HB3 GLN 34 2HB GLN 34 -9.673 -2.789 -1.405 221 HG2 GLN 34 1HG GLN 34 -8.062 -4.301 -0.819 222 HG3 GLN 34 2HG GLN 34 -8.446 -3.839 0.827 223 HE21 GLN 34 1HE2 GLN 34 -9.803 -5.907 -1.742 224 HE22 GLN 34 2HE2 GLN 34 -10.112 -7.301 -0.760 225 H GLY 35 H GLY 35 -12.938 -3.000 1.542 226 HA2 GLY 35 1HA GLY 35 -11.832 -4.616 3.760 227 HA3 GLY 35 2HA GLY 35 -13.237 -3.576 3.885 228 H SER 36 H SER 36 -14.510 -5.432 4.598 229 HA SER 36 HA SER 36 -15.658 -6.768 2.359 230 HB2 SER 36 1HB SER 36 -13.585 -8.103 3.717 231 HB3 SER 36 2HB SER 36 -15.044 -8.789 4.404 232 HG SER 36 HG SER 36 -14.491 -10.003 2.558 233 H VAL 37 H VAL 37 -17.679 -7.989 3.042 234 HA VAL 37 HA VAL 37 -18.961 -6.524 5.157 235 HB VAL 37 HB VAL 37 -20.963 -7.625 4.383 236 HG11 VAL 37 1HG1 VAL 37 -20.584 -5.763 3.060 237 HG12 VAL 37 2HG1 VAL 37 -19.104 -6.441 2.338 238 HG13 VAL 37 3HG1 VAL 37 -20.700 -7.050 1.835 239 HG21 VAL 37 1HG2 VAL 37 -19.119 -9.294 2.640 240 HG22 VAL 37 2HG2 VAL 37 -20.125 -9.869 3.991 241 HG23 VAL 37 3HG2 VAL 37 -20.894 -9.255 2.508 242 H PHE 38 H PHE 38 -17.727 -9.830 4.520 243 HA PHE 38 HA PHE 38 -18.625 -10.612 7.188 244 HB2 PHE 38 1HB PHE 38 -17.416 -12.130 4.798 245 HB3 PHE 38 2HB PHE 38 -17.963 -12.905 6.271 246 HD1 PHE 38 2HD PHE 38 -20.514 -11.893 6.885 247 HD2 PHE 38 1HD PHE 38 -18.836 -12.520 3.038 248 HE1 PHE 38 2HE PHE 38 -22.819 -12.110 5.915 249 HE2 PHE 38 1HE PHE 38 -21.142 -12.738 2.068 250 HZ PHE 38 HZ PHE 38 -23.105 -12.530 3.519 251 H ALA 39 H ALA 39 -17.175 -11.334 8.791 252 HA ALA 39 HA ALA 39 -14.453 -11.794 8.303 253 HB1 ALA 39 1HB ALA 39 -15.222 -9.026 9.294 254 HB2 ALA 39 2HB ALA 39 -13.606 -9.732 9.533 255 HB3 ALA 39 3HB ALA 39 -14.217 -9.444 7.886 256 H THR 40 H THR 40 -13.248 -11.638 10.619 257 HA THR 40 HA THR 40 -15.157 -12.832 12.510 258 HB THR 40 HB THR 40 -12.192 -13.214 11.912 259 HG1 THR 40 1HG THR 40 -13.188 -14.977 11.022 260 HG21 THR 40 1HG2 THR 40 -12.572 -15.037 13.826 261 HG22 THR 40 2HG2 THR 40 -12.057 -13.391 14.265 262 HG23 THR 40 3HG2 THR 40 -13.767 -13.861 14.422 263 H GLU 41 H GLU 41 -11.917 -11.340 13.021 264 HA GLU 41 HA GLU 41 -13.266 -9.593 14.931 265 HB2 GLU 41 1HB GLU 41 -11.021 -9.583 16.140 266 HB3 GLU 41 2HB GLU 41 -11.887 -11.106 16.175 267 HG2 GLU 41 1HG GLU 41 -10.510 -11.934 14.256 268 HG3 GLU 41 2HG GLU 41 -9.646 -10.411 14.216 269 H THR 42 H THR 42 -10.877 -9.927 12.308 270 HA THR 42 HA THR 42 -10.757 -6.988 12.179 271 HB THR 42 HB THR 42 -8.374 -7.211 11.563 272 HG1 THR 42 1HG THR 42 -7.541 -9.448 11.564 273 HG21 THR 42 1HG2 THR 42 -7.914 -9.032 13.697 274 HG22 THR 42 2HG2 THR 42 -7.923 -7.256 13.806 275 HG23 THR 42 3HG2 THR 42 -9.412 -8.175 14.131 276 H LEU 43 H LEU 43 -8.864 -7.851 9.746 277 HA LEU 43 HA LEU 43 -11.140 -8.245 7.929 278 HB2 LEU 43 1HB LEU 43 -10.384 -6.031 7.657 279 HB3 LEU 43 2HB LEU 43 -8.697 -6.504 7.703 280 HG LEU 43 HG LEU 43 -8.909 -7.595 5.522 281 HD11 LEU 43 1HD1 LEU 43 -11.654 -6.479 5.110 282 HD12 LEU 43 2HD1 LEU 43 -10.844 -7.855 4.324 283 HD13 LEU 43 3HD1 LEU 43 -11.469 -8.020 5.982 284 HD21 LEU 43 1HD2 LEU 43 -8.184 -5.338 5.448 285 HD22 LEU 43 2HD2 LEU 43 -9.394 -5.528 4.155 286 HD23 LEU 43 3HD2 LEU 43 -9.839 -4.722 5.679 287 H SER 44 H SER 44 -8.781 -9.905 9.418 288 HA SER 44 HA SER 44 -7.360 -11.501 8.889 289 HB2 SER 44 1HB SER 44 -9.982 -12.222 8.294 290 HB3 SER 44 2HB SER 44 -9.126 -12.718 6.847 291 HG SER 44 HG SER 44 -8.715 -13.578 9.564 292 H SER 45 H SER 45 -6.975 -9.094 7.246 293 HA SER 45 HA SER 45 -5.174 -10.081 5.434 294 HB2 SER 45 1HB SER 45 -6.185 -10.156 3.367 295 HB3 SER 45 2HB SER 45 -7.578 -10.585 4.339 296 HG SER 45 HG SER 45 -6.933 -8.054 3.134 297 HA PRO 46 HA PRO 46 -4.217 -5.841 5.608 298 HB2 PRO 46 1HB PRO 46 -2.483 -5.546 3.516 299 HB3 PRO 46 2HB PRO 46 -2.013 -6.223 5.062 300 HG2 PRO 46 1HG PRO 46 -2.495 -7.615 2.500 301 HG3 PRO 46 2HG PRO 46 -1.632 -8.186 3.914 302 HD2 PRO 46 1HD PRO 46 -4.281 -8.929 3.105 303 HD3 PRO 46 2HD PRO 46 -3.462 -9.409 4.578 304 HA PRO 47 HA PRO 47 -6.824 -3.637 3.083 305 HB2 PRO 47 1HB PRO 47 -6.150 -1.071 3.738 306 HB3 PRO 47 2HB PRO 47 -7.228 -2.056 4.707 307 HG2 PRO 47 1HG PRO 47 -4.412 -1.325 5.231 308 HG3 PRO 47 2HG PRO 47 -5.616 -1.930 6.351 309 HD2 PRO 47 1HD PRO 47 -3.456 -3.415 5.186 310 HD3 PRO 47 2HD PRO 47 -4.727 -4.046 6.214 311 H LEU 48 H LEU 48 -6.488 -4.033 0.965 312 HA LEU 48 HA LEU 48 -4.089 -2.895 -0.179 313 HB2 LEU 48 1HB LEU 48 -6.252 -4.392 -1.636 314 HB3 LEU 48 2HB LEU 48 -4.568 -4.193 -2.080 315 HG LEU 48 HG LEU 48 -5.222 -5.632 0.467 316 HD11 LEU 48 1HD1 LEU 48 -5.782 -6.624 -2.302 317 HD12 LEU 48 2HD1 LEU 48 -5.153 -7.756 -1.081 318 HD13 LEU 48 3HD1 LEU 48 -6.678 -6.887 -0.786 319 HD21 LEU 48 1HD2 LEU 48 -2.909 -5.228 0.088 320 HD22 LEU 48 2HD2 LEU 48 -3.203 -6.951 -0.248 321 HD23 LEU 48 3HD2 LEU 48 -3.014 -5.801 -1.594 322 H ILE 49 H ILE 49 -3.988 -1.139 -1.560 323 HA ILE 49 HA ILE 49 -5.845 0.856 -1.301 324 HB ILE 49 HB ILE 49 -3.736 0.275 -3.361 325 HG12 ILE 49 1HG1 ILE 49 -3.943 2.243 -1.064 326 HG13 ILE 49 2HG1 ILE 49 -2.953 0.798 -1.116 327 HG21 ILE 49 1HG2 ILE 49 -4.662 1.721 -4.770 328 HG22 ILE 49 2HG2 ILE 49 -5.928 2.158 -3.597 329 HG23 ILE 49 3HG2 ILE 49 -4.355 2.990 -3.560 330 HD11 ILE 49 1HD1 ILE 49 -2.312 2.253 -3.481 331 HD12 ILE 49 2HD1 ILE 49 -2.362 3.441 -2.157 332 HD13 ILE 49 3HD1 ILE 49 -1.292 2.024 -2.040 333 H SER 50 H SER 50 -8.000 0.251 -1.563 334 HA SER 50 HA SER 50 -8.908 -1.323 -3.632 335 HB2 SER 50 1HB SER 50 -10.210 -0.854 -1.588 336 HB3 SER 50 2HB SER 50 -10.353 0.835 -2.033 337 HG SER 50 HG SER 50 -12.265 -0.408 -2.587 338 H TYR 51 H TYR 51 -9.089 2.297 -3.244 339 HA TYR 51 HA TYR 51 -8.801 2.536 -6.136 340 HB2 TYR 51 1HB TYR 51 -11.243 2.528 -5.694 341 HB3 TYR 51 2HB TYR 51 -11.040 3.571 -4.300 342 HD1 TYR 51 1HD TYR 51 -10.715 3.502 -8.018 343 HD2 TYR 51 2HD TYR 51 -11.182 5.917 -4.517 344 HE1 TYR 51 1HE TYR 51 -11.142 5.542 -9.473 345 HE2 TYR 51 2HE TYR 51 -11.607 7.949 -5.985 346 HH TYR 51 HH TYR 51 -10.876 8.569 -8.454 347 H ILE 52 H ILE 52 -8.032 4.632 -6.821 348 HA ILE 52 HA ILE 52 -7.016 6.238 -4.579 349 HB ILE 52 HB ILE 52 -5.679 5.638 -7.220 350 HG12 ILE 52 1HG1 ILE 52 -4.594 4.883 -4.522 351 HG13 ILE 52 2HG1 ILE 52 -5.799 3.865 -5.285 352 HG21 ILE 52 1HG2 ILE 52 -5.290 7.947 -6.387 353 HG22 ILE 52 2HG2 ILE 52 -4.634 7.257 -4.883 354 HG23 ILE 52 3HG2 ILE 52 -3.819 6.947 -6.434 355 HD11 ILE 52 1HD1 ILE 52 -4.199 2.953 -6.596 356 HD12 ILE 52 2HD1 ILE 52 -3.866 4.554 -7.301 357 HD13 ILE 52 3HD1 ILE 52 -2.983 4.018 -5.851 358 H GLU 53 H GLU 53 -8.232 8.051 -4.459 359 HA GLU 53 HA GLU 53 -9.876 8.972 -6.400 360 HB2 GLU 53 1HB GLU 53 -8.731 9.998 -3.891 361 HB3 GLU 53 2HB GLU 53 -9.079 11.288 -5.026 362 HG2 GLU 53 1HG GLU 53 -11.095 10.961 -3.753 363 HG3 GLU 53 2HG GLU 53 -11.406 10.278 -5.336 364 H ALA 54 H ALA 54 -9.764 10.951 -7.788 365 HA ALA 54 HA ALA 54 -7.198 11.023 -9.130 366 HB1 ALA 54 1HB ALA 54 -10.037 11.686 -9.738 367 HB2 ALA 54 2HB ALA 54 -8.811 12.701 -10.534 368 HB3 ALA 54 3HB ALA 54 -8.792 10.936 -10.764 369 H ASP 55 H ASP 55 -6.463 13.301 -9.919 370 HA ASP 55 HA ASP 55 -5.467 15.135 -9.293 371 HB2 ASP 55 1HB ASP 55 -8.017 15.752 -9.598 372 HB3 ASP 55 2HB ASP 55 -8.013 15.958 -7.858 373 H SER 56 H SER 56 -5.501 12.835 -7.310 374 HA SER 56 HA SER 56 -5.357 14.342 -4.826 375 HB2 SER 56 1HB SER 56 -5.892 12.391 -3.673 376 HB3 SER 56 2HB SER 56 -6.770 12.136 -5.168 377 HG SER 56 HG SER 56 -5.648 10.332 -5.365 378 HA PRO 57 HA PRO 57 -1.056 13.703 -4.655 379 HB2 PRO 57 1HB PRO 57 -0.540 13.366 -1.992 380 HB3 PRO 57 2HB PRO 57 -0.830 14.933 -2.722 381 HG2 PRO 57 1HG PRO 57 -2.635 13.313 -1.032 382 HG3 PRO 57 2HG PRO 57 -2.725 15.022 -1.410 383 HD2 PRO 57 1HD PRO 57 -4.330 12.927 -2.536 384 HD3 PRO 57 2HD PRO 57 -4.339 14.618 -2.997 385 H ALA 58 H ALA 58 -3.088 11.207 -3.581 386 HA ALA 58 HA ALA 58 -0.958 9.325 -3.209 387 HB1 ALA 58 1HB ALA 58 -2.953 9.034 -1.914 388 HB2 ALA 58 2HB ALA 58 -3.987 9.138 -3.359 389 HB3 ALA 58 3HB ALA 58 -2.938 7.721 -3.116 390 H GLU 59 H GLU 59 -2.858 10.613 -5.869 391 HA GLU 59 HA GLU 59 -2.174 8.347 -7.523 392 HB2 GLU 59 1HB GLU 59 -4.468 9.384 -7.610 393 HB3 GLU 59 2HB GLU 59 -3.753 10.864 -8.215 394 HG2 GLU 59 1HG GLU 59 -4.468 9.706 -10.173 395 HG3 GLU 59 2HG GLU 59 -2.736 9.444 -10.118 396 H ARG 60 H ARG 60 -1.041 11.532 -6.677 397 HA ARG 60 HA ARG 60 0.178 12.160 -9.103 398 HB2 ARG 60 1HB ARG 60 0.255 13.141 -6.284 399 HB3 ARG 60 2HB ARG 60 1.716 13.460 -7.196 400 HG2 ARG 60 1HG ARG 60 -0.367 14.109 -8.990 401 HG3 ARG 60 2HG ARG 60 -0.938 14.701 -7.443 402 HD2 ARG 60 1HD ARG 60 0.841 16.223 -7.204 403 HD3 ARG 60 2HD ARG 60 1.925 15.284 -8.210 404 HE ARG 60 HE ARG 60 -0.031 16.017 -10.001 405 HH11 ARG 60 2HH2 ARG 60 1.893 17.846 -7.690 406 HH12 ARG 60 1HH2 ARG 60 1.866 19.302 -8.628 407 HH21 ARG 60 2HH1 ARG 60 -0.066 17.938 -11.238 408 HH22 ARG 60 1HH1 ARG 60 0.745 19.355 -10.659 409 H CYS 61 H CYS 61 1.310 10.537 -6.072 410 HA CYS 61 HA CYS 61 3.977 10.326 -6.732 411 HB2 CYS 61 1HB CYS 61 2.426 9.579 -4.597 412 HB3 CYS 61 2HB CYS 61 2.844 8.017 -5.273 413 HG CYS 61 HG CYS 61 5.426 9.547 -5.666 414 H GLY 62 H GLY 62 1.122 8.254 -7.511 415 HA2 GLY 62 1HA GLY 62 0.829 6.946 -9.361 416 HA3 GLY 62 2HA GLY 62 2.498 7.201 -9.829 417 H VAL 63 H VAL 63 3.954 6.370 -7.594 418 HA VAL 63 HA VAL 63 4.234 3.716 -7.922 419 HB VAL 63 HB VAL 63 5.373 3.698 -5.786 420 HG11 VAL 63 1HG1 VAL 63 7.064 5.170 -6.352 421 HG12 VAL 63 2HG1 VAL 63 6.185 5.045 -7.895 422 HG13 VAL 63 3HG1 VAL 63 5.933 6.455 -6.838 423 HG21 VAL 63 1HG2 VAL 63 5.277 5.525 -4.206 424 HG22 VAL 63 2HG2 VAL 63 4.186 6.445 -5.270 425 HG23 VAL 63 3HG2 VAL 63 3.624 4.938 -4.506 426 H LEU 64 H LEU 64 1.694 5.403 -6.128 427 HA LEU 64 HA LEU 64 0.852 3.066 -4.712 428 HB2 LEU 64 1HB LEU 64 -0.616 5.662 -5.182 429 HB3 LEU 64 2HB LEU 64 -0.985 4.447 -3.975 430 HG LEU 64 HG LEU 64 1.629 5.970 -4.035 431 HD11 LEU 64 1HD1 LEU 64 -0.959 6.983 -3.408 432 HD12 LEU 64 2HD1 LEU 64 -0.036 6.838 -1.892 433 HD13 LEU 64 3HD1 LEU 64 0.624 7.781 -3.249 434 HD21 LEU 64 1HD2 LEU 64 2.252 4.709 -2.318 435 HD22 LEU 64 2HD2 LEU 64 0.736 5.043 -1.448 436 HD23 LEU 64 3HD2 LEU 64 0.818 3.695 -2.608 437 H GLN 65 H GLN 65 0.329 1.355 -6.036 438 HA GLN 65 HA GLN 65 -1.397 1.939 -8.284 439 HB2 GLN 65 1HB GLN 65 0.691 0.471 -8.479 440 HB3 GLN 65 2HB GLN 65 -0.146 -0.732 -7.518 441 HG2 GLN 65 1HG GLN 65 -2.000 -0.782 -9.207 442 HG3 GLN 65 2HG GLN 65 -1.146 0.405 -10.173 443 HE21 GLN 65 1HE2 GLN 65 -1.952 -2.476 -10.549 444 HE22 GLN 65 2HE2 GLN 65 -0.524 -3.295 -11.088 445 H ILE 66 H ILE 66 -3.344 0.534 -8.663 446 HA ILE 66 HA ILE 66 -4.908 0.428 -6.307 447 HB ILE 66 HB ILE 66 -5.394 -0.512 -9.133 448 HG12 ILE 66 1HG1 ILE 66 -5.051 2.011 -8.438 449 HG13 ILE 66 2HG1 ILE 66 -6.284 1.539 -9.591 450 HG21 ILE 66 1HG2 ILE 66 -7.871 -0.162 -8.082 451 HG22 ILE 66 2HG2 ILE 66 -7.041 -1.732 -8.207 452 HG23 ILE 66 3HG2 ILE 66 -7.003 -0.824 -6.676 453 HD11 ILE 66 1HD1 ILE 66 -7.050 1.514 -6.683 454 HD12 ILE 66 2HD1 ILE 66 -6.850 3.096 -7.474 455 HD13 ILE 66 3HD1 ILE 66 -8.030 1.926 -8.110 456 H GLY 67 H GLY 67 -5.132 -1.176 -4.839 457 HA2 GLY 67 1HA GLY 67 -5.209 -3.279 -3.995 458 HA3 GLY 67 2HA GLY 67 -4.930 -3.937 -5.595 459 H ASP 68 H ASP 68 -3.058 -1.761 -3.350 460 HA ASP 68 HA ASP 68 -0.705 -3.276 -4.055 461 HB2 ASP 68 1HB ASP 68 -1.226 -0.641 -2.642 462 HB3 ASP 68 2HB ASP 68 0.340 -1.412 -2.494 463 H ARG 69 H ARG 69 0.901 -3.229 -1.853 464 HA ARG 69 HA ARG 69 -0.746 -4.472 0.202 465 HB2 ARG 69 1HB ARG 69 1.697 -5.531 0.724 466 HB3 ARG 69 2HB ARG 69 0.581 -6.272 -0.407 467 HG2 ARG 69 1HG ARG 69 2.534 -4.154 -1.365 468 HG3 ARG 69 2HG ARG 69 3.068 -5.810 -1.158 469 HD2 ARG 69 1HD ARG 69 0.841 -6.342 -2.576 470 HD3 ARG 69 2HD ARG 69 1.066 -4.693 -3.123 471 HE ARG 69 HE ARG 69 2.819 -6.990 -3.700 472 HH11 ARG 69 2HH2 ARG 69 2.491 -3.486 -3.709 473 HH12 ARG 69 1HH2 ARG 69 3.749 -3.243 -4.874 474 HH21 ARG 69 2HH1 ARG 69 4.479 -6.670 -5.238 475 HH22 ARG 69 1HH1 ARG 69 4.887 -5.067 -5.750 476 H VAL 70 H VAL 70 -1.023 -2.536 1.458 477 HA VAL 70 HA VAL 70 1.353 -1.069 2.219 478 HB VAL 70 HB VAL 70 -0.769 0.037 1.578 479 HG11 VAL 70 1HG1 VAL 70 -2.755 -0.435 2.501 480 HG12 VAL 70 2HG1 VAL 70 -1.968 -1.863 3.213 481 HG13 VAL 70 3HG1 VAL 70 -2.097 -0.357 4.153 482 HG21 VAL 70 1HG2 VAL 70 -0.153 1.782 2.837 483 HG22 VAL 70 2HG2 VAL 70 -0.606 0.951 4.345 484 HG23 VAL 70 3HG2 VAL 70 1.002 0.684 3.630 485 H MET 71 H MET 71 2.570 -1.612 3.948 486 HA MET 71 HA MET 71 1.531 -3.587 5.739 487 HB2 MET 71 1HB MET 71 4.199 -2.091 5.893 488 HB3 MET 71 2HB MET 71 3.836 -3.667 6.569 489 HG2 MET 71 1HG MET 71 3.323 -3.548 3.659 490 HG3 MET 71 2HG MET 71 4.990 -3.182 4.058 491 HE1 MET 71 1HE MET 71 2.053 -5.405 5.096 492 HE2 MET 71 2HE MET 71 2.460 -6.077 3.499 493 HE3 MET 71 3HE MET 71 2.706 -7.056 4.965 494 H ALA 72 H ALA 72 2.044 -0.093 5.640 495 HA ALA 72 HA ALA 72 0.820 0.097 8.268 496 HB1 ALA 72 1HB ALA 72 3.641 0.576 7.731 497 HB2 ALA 72 2HB ALA 72 2.837 2.063 8.288 498 HB3 ALA 72 3HB ALA 72 2.767 0.588 9.281 499 H ILE 73 H ILE 73 0.031 2.362 8.678 500 HA ILE 73 HA ILE 73 -0.398 3.760 6.130 501 HB ILE 73 HB ILE 73 -2.323 2.863 8.214 502 HG12 ILE 73 1HG1 ILE 73 -2.422 3.149 5.198 503 HG13 ILE 73 2HG1 ILE 73 -2.183 1.666 6.100 504 HG21 ILE 73 1HG2 ILE 73 -2.617 5.217 8.445 505 HG22 ILE 73 2HG2 ILE 73 -2.570 5.461 6.683 506 HG23 ILE 73 3HG2 ILE 73 -3.945 4.610 7.427 507 HD11 ILE 73 1HD1 ILE 73 -4.679 3.121 5.520 508 HD12 ILE 73 2HD1 ILE 73 -4.442 1.424 6.002 509 HD13 ILE 73 3HD1 ILE 73 -4.514 2.700 7.242 510 H ASN 74 H ASN 74 1.207 3.815 9.018 511 HA ASN 74 HA ASN 74 1.998 6.376 8.845 512 HB2 ASN 74 1HB ASN 74 0.704 7.291 10.977 513 HB3 ASN 74 2HB ASN 74 -0.050 7.410 9.400 514 HD21 ASN 74 1HD2 ASN 74 -1.893 7.576 11.011 515 HD22 ASN 74 2HD2 ASN 74 -2.743 6.117 11.396 516 H GLY 75 H GLY 75 3.046 3.820 9.496 517 HA2 GLY 75 1HA GLY 75 4.803 3.336 10.965 518 HA3 GLY 75 2HA GLY 75 4.041 4.298 12.216 519 H ILE 76 H ILE 76 1.341 3.264 12.003 520 HA ILE 76 HA ILE 76 1.617 0.986 13.626 521 HB ILE 76 HB ILE 76 -0.790 2.170 12.239 522 HG12 ILE 76 1HG1 ILE 76 0.545 3.617 13.867 523 HG13 ILE 76 2HG1 ILE 76 -1.174 3.447 14.159 524 HG21 ILE 76 1HG2 ILE 76 -2.162 0.905 13.743 525 HG22 ILE 76 2HG2 ILE 76 -1.075 -0.220 12.895 526 HG23 ILE 76 3HG2 ILE 76 -0.734 0.248 14.578 527 HD11 ILE 76 1HD1 ILE 76 0.472 3.153 16.174 528 HD12 ILE 76 2HD1 ILE 76 -0.861 1.987 15.995 529 HD13 ILE 76 3HD1 ILE 76 0.784 1.544 15.480 530 HA PRO 77 HA PRO 77 1.885 -2.051 10.552 531 HB2 PRO 77 1HB PRO 77 1.581 -4.272 12.115 532 HB3 PRO 77 2HB PRO 77 3.107 -3.430 11.933 533 HG2 PRO 77 1HG PRO 77 1.243 -3.413 14.227 534 HG3 PRO 77 2HG PRO 77 2.931 -2.943 14.180 535 HD2 PRO 77 1HD PRO 77 0.662 -1.189 14.236 536 HD3 PRO 77 2HD PRO 77 2.343 -0.723 14.072 537 H THR 78 H THR 78 0.134 -1.517 9.240 538 HA THR 78 HA THR 78 -2.491 -2.004 9.931 539 HB THR 78 HB THR 78 -2.827 -1.944 7.441 540 HG1 THR 78 1HG THR 78 -0.950 -3.251 6.911 541 HG21 THR 78 1HG2 THR 78 -0.894 0.014 7.118 542 HG22 THR 78 2HG2 THR 78 -2.486 0.302 7.859 543 HG23 THR 78 3HG2 THR 78 -1.070 -0.015 8.889 544 H GLU 79 H GLU 79 -2.923 -3.884 11.046 545 HA GLU 79 HA GLU 79 -3.455 -6.098 9.465 546 HB2 GLU 79 1HB GLU 79 -0.802 -6.112 9.920 547 HB3 GLU 79 2HB GLU 79 -1.303 -6.849 11.429 548 HG2 GLU 79 1HG GLU 79 -2.118 -8.770 10.396 549 HG3 GLU 79 2HG GLU 79 -2.578 -7.924 8.931 550 H ASP 80 H ASP 80 -4.736 -4.342 11.391 551 HA ASP 80 HA ASP 80 -5.935 -6.324 12.974 552 HB2 ASP 80 1HB ASP 80 -3.680 -5.399 14.178 553 HB3 ASP 80 2HB ASP 80 -4.784 -4.137 14.689 554 H SER 81 H SER 81 -7.522 -5.017 14.657 555 HA SER 81 HA SER 81 -8.970 -3.419 15.044 556 HB2 SER 81 1HB SER 81 -8.229 -1.598 12.797 557 HB3 SER 81 2HB SER 81 -8.580 -1.219 14.471 558 HG SER 81 HG SER 81 -6.347 -0.861 14.045 559 H THR 82 H THR 82 -10.171 -1.664 12.859 560 HA THR 82 HA THR 82 -11.460 -3.816 11.311 561 HB THR 82 HB THR 82 -13.521 -2.381 11.492 562 HG1 THR 82 1HG THR 82 -12.380 -0.354 11.808 563 HG21 THR 82 1HG2 THR 82 -12.275 -2.752 14.260 564 HG22 THR 82 2HG2 THR 82 -14.006 -2.740 13.848 565 HG23 THR 82 3HG2 THR 82 -12.979 -4.100 13.335 566 H PHE 83 H PHE 83 -12.305 -3.192 9.184 567 HA PHE 83 HA PHE 83 -10.381 -2.060 7.614 568 HB2 PHE 83 1HB PHE 83 -12.075 -3.315 6.513 569 HB3 PHE 83 2HB PHE 83 -13.354 -2.623 7.491 570 HD1 PHE 83 2HD PHE 83 -14.205 -0.335 6.960 571 HD2 PHE 83 1HD PHE 83 -11.481 -2.364 4.416 572 HE1 PHE 83 2HE PHE 83 -14.798 1.222 5.083 573 HE2 PHE 83 1HE PHE 83 -12.075 -0.807 2.539 574 HZ PHE 83 HZ PHE 83 -13.726 0.968 2.895 575 H GLU 84 H GLU 84 -12.927 -0.482 9.516 576 HA GLU 84 HA GLU 84 -12.863 1.937 8.097 577 HB2 GLU 84 1HB GLU 84 -13.945 1.007 10.750 578 HB3 GLU 84 2HB GLU 84 -13.831 2.733 10.468 579 HG2 GLU 84 1HG GLU 84 -15.161 2.496 8.374 580 HG3 GLU 84 2HG GLU 84 -15.244 0.761 8.609 581 H GLU 85 H GLU 85 -10.991 0.545 10.797 582 HA GLU 85 HA GLU 85 -9.911 2.780 11.873 583 HB2 GLU 85 1HB GLU 85 -9.500 0.038 12.084 584 HB3 GLU 85 2HB GLU 85 -7.949 0.596 11.489 585 HG2 GLU 85 1HG GLU 85 -8.930 2.403 13.564 586 HG3 GLU 85 2HG GLU 85 -8.934 0.754 14.157 587 H ALA 86 H ALA 86 -8.304 0.768 9.293 588 HA ALA 86 HA ALA 86 -6.220 2.373 8.715 589 HB1 ALA 86 1HB ALA 86 -6.773 1.506 6.247 590 HB2 ALA 86 2HB ALA 86 -6.229 0.395 7.526 591 HB3 ALA 86 3HB ALA 86 -7.960 0.514 7.128 592 H ASN 87 H ASN 87 -9.636 2.764 7.631 593 HA ASN 87 HA ASN 87 -9.081 4.898 5.927 594 HB2 ASN 87 1HB ASN 87 -11.255 3.355 6.297 595 HB3 ASN 87 2HB ASN 87 -11.736 4.654 7.371 596 HD21 ASN 87 1HD2 ASN 87 -11.692 3.530 4.230 597 HD22 ASN 87 2HD2 ASN 87 -12.116 4.973 3.371 598 H GLN 88 H GLN 88 -10.107 4.583 9.383 599 HA GLN 88 HA GLN 88 -10.555 7.281 9.826 600 HB2 GLN 88 1HB GLN 88 -9.831 4.972 11.666 601 HB3 GLN 88 2HB GLN 88 -10.119 6.585 12.288 602 HG2 GLN 88 1HG GLN 88 -12.077 4.829 10.745 603 HG3 GLN 88 2HG GLN 88 -12.213 5.353 12.412 604 HE21 GLN 88 1HE2 GLN 88 -13.353 5.839 9.415 605 HE22 GLN 88 2HE2 GLN 88 -13.868 7.492 9.491 606 H LEU 89 H LEU 89 -7.596 5.319 9.724 607 HA LEU 89 HA LEU 89 -5.901 6.965 11.165 608 HB2 LEU 89 1HB LEU 89 -5.325 5.220 8.767 609 HB3 LEU 89 2HB LEU 89 -4.113 5.901 9.833 610 HG LEU 89 HG LEU 89 -5.976 3.622 10.267 611 HD11 LEU 89 1HD1 LEU 89 -3.722 3.228 11.782 612 HD12 LEU 89 2HD1 LEU 89 -3.955 2.680 10.105 613 HD13 LEU 89 3HD1 LEU 89 -3.106 4.211 10.432 614 HD21 LEU 89 1HD2 LEU 89 -5.712 3.815 12.744 615 HD22 LEU 89 2HD2 LEU 89 -5.114 5.474 12.502 616 HD23 LEU 89 3HD2 LEU 89 -6.773 5.047 12.019 617 H LEU 90 H LEU 90 -7.026 7.129 7.753 618 HA LEU 90 HA LEU 90 -5.286 9.192 6.992 619 HB2 LEU 90 1HB LEU 90 -7.956 8.271 5.929 620 HB3 LEU 90 2HB LEU 90 -6.991 9.518 5.164 621 HG LEU 90 HG LEU 90 -6.505 6.570 5.341 622 HD11 LEU 90 1HD1 LEU 90 -5.557 7.764 2.943 623 HD12 LEU 90 2HD1 LEU 90 -6.975 6.715 3.181 624 HD13 LEU 90 3HD1 LEU 90 -7.142 8.482 3.316 625 HD21 LEU 90 1HD2 LEU 90 -4.339 8.670 5.171 626 HD22 LEU 90 2HD2 LEU 90 -4.464 7.288 6.286 627 HD23 LEU 90 3HD2 LEU 90 -4.130 7.011 4.559 628 H ARG 91 H ARG 91 -8.759 9.251 8.060 629 HA ARG 91 HA ARG 91 -9.093 11.931 7.943 630 HB2 ARG 91 1HB ARG 91 -10.209 9.953 9.994 631 HB3 ARG 91 2HB ARG 91 -10.837 11.574 9.768 632 HG2 ARG 91 1HG ARG 91 -11.842 11.062 7.744 633 HG3 ARG 91 2HG ARG 91 -10.585 9.933 7.277 634 HD2 ARG 91 1HD ARG 91 -11.679 8.140 8.200 635 HD3 ARG 91 2HD ARG 91 -12.117 9.027 9.646 636 HE ARG 91 HE ARG 91 -14.184 9.536 8.678 637 HH11 ARG 91 2HH2 ARG 91 -11.948 8.547 6.148 638 HH12 ARG 91 1HH2 ARG 91 -13.156 8.536 4.907 639 HH21 ARG 91 2HH1 ARG 91 -15.779 9.522 7.041 640 HH22 ARG 91 1HH1 ARG 91 -15.350 9.094 5.419 641 H ASP 92 H ASP 92 -7.077 10.068 10.102 642 HA ASP 92 HA ASP 92 -7.030 12.145 12.089 643 HB2 ASP 92 1HB ASP 92 -6.890 9.983 13.048 644 HB3 ASP 92 2HB ASP 92 -5.824 9.387 11.791 645 H SER 93 H SER 93 -4.802 10.416 9.786 646 HA SER 93 HA SER 93 -2.508 11.720 10.283 647 HB2 SER 93 1HB SER 93 -3.729 10.533 7.803 648 HB3 SER 93 2HB SER 93 -2.257 11.464 7.611 649 HG SER 93 HG SER 93 -1.746 9.915 9.694 650 H SER 94 H SER 94 -5.447 12.971 8.788 651 HA SER 94 HA SER 94 -4.410 15.038 7.320 652 HB2 SER 94 1HB SER 94 -6.604 15.814 7.183 653 HB3 SER 94 2HB SER 94 -6.872 14.144 7.642 654 HG SER 94 HG SER 94 -6.970 14.910 9.912 655 H ILE 95 H ILE 95 -4.485 14.530 10.771 656 HA ILE 95 HA ILE 95 -4.606 17.150 11.687 657 HB ILE 95 HB ILE 95 -3.502 14.573 12.727 658 HG12 ILE 95 1HG1 ILE 95 -5.555 16.376 13.999 659 HG13 ILE 95 2HG1 ILE 95 -5.992 15.317 12.673 660 HG21 ILE 95 1HG2 ILE 95 -3.136 15.885 14.921 661 HG22 ILE 95 2HG2 ILE 95 -1.879 15.954 13.663 662 HG23 ILE 95 3HG2 ILE 95 -3.008 17.315 13.869 663 HD11 ILE 95 1HD1 ILE 95 -6.130 13.574 14.107 664 HD12 ILE 95 2HD1 ILE 95 -4.409 13.773 14.514 665 HD13 ILE 95 3HD1 ILE 95 -5.650 14.642 15.448 666 H THR 96 H THR 96 -1.620 15.110 11.277 667 HA THR 96 HA THR 96 0.030 17.449 11.339 668 HB THR 96 HB THR 96 0.685 15.204 12.265 669 HG1 THR 96 1HG THR 96 2.772 15.609 11.486 670 HG21 THR 96 1HG2 THR 96 1.293 14.280 9.460 671 HG22 THR 96 2HG2 THR 96 1.000 13.313 10.925 672 HG23 THR 96 3HG2 THR 96 -0.369 14.043 10.052 673 H SER 97 H SER 97 -1.993 16.143 8.971 674 HA SER 97 HA SER 97 -2.253 16.588 6.862 675 HB2 SER 97 1HB SER 97 -0.486 18.784 7.730 676 HB3 SER 97 2HB SER 97 -0.308 18.423 6.025 677 HG SER 97 HG SER 97 -2.793 19.008 7.398 678 H LYS 98 H LYS 98 -0.184 14.619 7.961 679 HA LYS 98 HA LYS 98 1.013 14.032 5.389 680 HB2 LYS 98 1HB LYS 98 2.562 15.460 7.056 681 HB3 LYS 98 2HB LYS 98 2.889 13.863 7.699 682 HG2 LYS 98 1HG LYS 98 3.892 13.109 5.725 683 HG3 LYS 98 2HG LYS 98 2.948 14.177 4.705 684 HD2 LYS 98 1HD LYS 98 4.519 15.851 6.433 685 HD3 LYS 98 2HD LYS 98 5.591 14.608 5.820 686 HE2 LYS 98 1HE LYS 98 4.695 15.129 3.471 687 HE3 LYS 98 2HE LYS 98 3.859 16.503 4.168 688 HZ1 LYS 98 1HZ LYS 98 6.692 16.203 4.721 689 HZ2 LYS 98 2HZ LYS 98 6.247 16.732 3.241 690 HZ3 LYS 98 3HZ LYS 98 5.804 17.566 4.574 691 H VAL 99 H VAL 99 1.331 11.802 5.063 692 HA VAL 99 HA VAL 99 0.635 10.096 7.338 693 HB VAL 99 HB VAL 99 -1.378 10.516 5.978 694 HG11 VAL 99 1HG1 VAL 99 -1.148 9.063 3.684 695 HG12 VAL 99 2HG1 VAL 99 -0.978 10.832 3.776 696 HG13 VAL 99 3HG1 VAL 99 0.470 9.798 3.781 697 HG21 VAL 99 1HG2 VAL 99 -1.425 7.844 5.253 698 HG22 VAL 99 2HG2 VAL 99 -0.187 7.896 6.531 699 HG23 VAL 99 3HG2 VAL 99 -1.829 8.502 6.857 700 H THR 100 H THR 100 1.614 8.009 7.287 701 HA THR 100 HA THR 100 3.749 7.796 5.265 702 HB THR 100 HB THR 100 3.798 6.559 8.046 703 HG1 THR 100 1HG THR 100 4.807 8.641 8.630 704 HG21 THR 100 1HG2 THR 100 5.651 6.843 5.813 705 HG22 THR 100 2HG2 THR 100 6.267 7.745 7.219 706 HG23 THR 100 3HG2 THR 100 5.907 6.008 7.364 707 H LEU 101 H LEU 101 2.921 6.512 3.692 708 HA LEU 101 HA LEU 101 1.525 4.099 4.571 709 HB2 LEU 101 1HB LEU 101 1.667 5.567 1.942 710 HB3 LEU 101 2HB LEU 101 0.993 3.956 2.088 711 HG LEU 101 HG LEU 101 -0.026 6.285 3.725 712 HD11 LEU 101 1HD1 LEU 101 -0.111 6.318 1.014 713 HD12 LEU 101 2HD1 LEU 101 -1.614 5.438 1.383 714 HD13 LEU 101 3HD1 LEU 101 -1.339 7.057 2.070 715 HD21 LEU 101 1HD2 LEU 101 -0.471 3.658 4.101 716 HD22 LEU 101 2HD2 LEU 101 -1.672 4.922 4.460 717 HD23 LEU 101 3HD2 LEU 101 -1.763 4.016 2.930 718 H GLU 102 H GLU 102 2.707 2.287 4.813 719 HA GLU 102 HA GLU 102 5.232 2.178 3.404 720 HB2 GLU 102 1HB GLU 102 4.708 1.658 5.994 721 HB3 GLU 102 2HB GLU 102 4.388 0.055 5.361 722 HG2 GLU 102 1HG GLU 102 6.604 -0.367 5.114 723 HG3 GLU 102 2HG GLU 102 6.832 1.088 4.164 724 H ILE 103 H ILE 103 5.141 1.280 1.387 725 HA ILE 103 HA ILE 103 3.179 -0.837 0.943 726 HB ILE 103 HB ILE 103 4.754 0.939 -0.915 727 HG12 ILE 103 1HG1 ILE 103 2.828 1.983 0.200 728 HG13 ILE 103 2HG1 ILE 103 2.592 1.837 -1.530 729 HG21 ILE 103 1HG2 ILE 103 4.696 -1.182 -1.997 730 HG22 ILE 103 2HG2 ILE 103 2.989 -1.433 -1.558 731 HG23 ILE 103 3HG2 ILE 103 3.429 -0.174 -2.737 732 HD11 ILE 103 1HD1 ILE 103 0.530 1.098 -0.635 733 HD12 ILE 103 2HD1 ILE 103 1.390 -0.423 -0.974 734 HD13 ILE 103 3HD1 ILE 103 1.318 0.209 0.689 735 H GLU 104 H GLU 104 3.930 -2.710 -0.470 736 HA GLU 104 HA GLU 104 6.726 -3.300 0.068 737 HB2 GLU 104 1HB GLU 104 5.617 -4.518 1.797 738 HB3 GLU 104 2HB GLU 104 4.309 -5.008 0.738 739 HG2 GLU 104 1HG GLU 104 5.559 -6.699 -0.270 740 HG3 GLU 104 2HG GLU 104 7.080 -5.855 -0.061 741 H PHE 105 H PHE 105 7.744 -4.705 -1.496 742 HA PHE 105 HA PHE 105 6.098 -5.535 -3.737 743 HB2 PHE 105 1HB PHE 105 7.791 -4.393 -5.276 744 HB3 PHE 105 2HB PHE 105 6.851 -3.253 -4.333 745 HD1 PHE 105 1HD PHE 105 10.147 -4.878 -4.630 746 HD2 PHE 105 2HD PHE 105 7.890 -1.828 -2.730 747 HE1 PHE 105 1HE PHE 105 12.265 -3.858 -3.751 748 HE2 PHE 105 2HE PHE 105 10.008 -0.808 -1.850 749 HZ PHE 105 HZ PHE 105 12.171 -1.836 -2.371 750 H ASP 106 H ASP 106 7.834 -6.540 -5.481 751 HA ASP 106 HA ASP 106 9.377 -8.366 -3.832 752 HB2 ASP 106 1HB ASP 106 9.427 -9.588 -6.214 753 HB3 ASP 106 2HB ASP 106 8.049 -9.742 -5.142 754 H VAL 107 H VAL 107 11.585 -7.925 -3.802 755 HA VAL 107 HA VAL 107 12.729 -6.103 -5.649 756 HB VAL 107 HB VAL 107 14.669 -6.315 -4.370 757 HG11 VAL 107 1HG1 VAL 107 12.170 -6.005 -3.103 758 HG12 VAL 107 2HG1 VAL 107 13.146 -7.021 -2.014 759 HG13 VAL 107 3HG1 VAL 107 13.757 -5.432 -2.535 760 HG21 VAL 107 1HG2 VAL 107 14.327 -8.492 -2.608 761 HG22 VAL 107 2HG2 VAL 107 13.932 -9.107 -4.232 762 HG23 VAL 107 3HG2 VAL 107 15.508 -8.335 -3.931 763 H ALA 108 H ALA 108 14.546 -6.572 -7.122 764 HA ALA 108 HA ALA 108 14.000 -9.000 -8.583 765 HB1 ALA 108 1HB ALA 108 16.225 -7.353 -9.526 766 HB2 ALA 108 2HB ALA 108 14.693 -7.764 -10.335 767 HB3 ALA 108 3HB ALA 108 14.766 -6.381 -9.216 768 H GLU 109 H GLU 109 15.444 -10.727 -8.896 769 HA GLU 109 HA GLU 109 17.248 -11.103 -6.757 770 HB2 GLU 109 1HB GLU 109 16.677 -12.752 -9.258 771 HB3 GLU 109 2HB GLU 109 17.730 -13.285 -7.962 772 HG2 GLU 109 1HG GLU 109 15.304 -12.389 -6.724 773 HG3 GLU 109 2HG GLU 109 14.830 -13.372 -8.095 774 H SER 110 H SER 110 19.576 -12.001 -7.279 775 HA SER 110 HA SER 110 20.948 -9.899 -8.492 776 HB2 SER 110 1HB SER 110 21.701 -11.568 -6.631 777 HB3 SER 110 2HB SER 110 22.130 -12.643 -7.946 778 HG SER 110 HG SER 110 23.090 -10.054 -8.341 779 H VAL 111 H VAL 111 20.808 -9.547 -10.692 780 HA VAL 111 HA VAL 111 20.987 -9.891 -12.867 781 HB VAL 111 HB VAL 111 22.498 -12.343 -11.954 782 HG11 VAL 111 1HG1 VAL 111 22.020 -11.235 -14.722 783 HG12 VAL 111 2HG1 VAL 111 23.490 -12.163 -14.336 784 HG13 VAL 111 3HG1 VAL 111 21.887 -12.913 -14.144 785 HG21 VAL 111 1HG2 VAL 111 24.395 -11.076 -11.940 786 HG22 VAL 111 2HG2 VAL 111 23.821 -9.998 -13.235 787 HG23 VAL 111 3HG2 VAL 111 23.221 -9.789 -11.572 788 H ILE 112 H ILE 112 19.370 -10.413 -14.257 789 HA ILE 112 HA ILE 112 17.301 -12.093 -13.435 790 HB ILE 112 HB ILE 112 16.550 -11.822 -15.825 791 HG12 ILE 112 1HG1 ILE 112 18.786 -9.833 -16.132 792 HG13 ILE 112 2HG1 ILE 112 19.036 -11.510 -16.575 793 HG21 ILE 112 1HG2 ILE 112 17.253 -9.280 -14.335 794 HG22 ILE 112 2HG2 ILE 112 15.953 -9.499 -15.530 795 HG23 ILE 112 3HG2 ILE 112 15.872 -10.340 -13.964 796 HD11 ILE 112 1HD1 ILE 112 17.738 -9.482 -18.105 797 HD12 ILE 112 2HD1 ILE 112 17.915 -11.205 -18.516 798 HD13 ILE 112 3HD1 ILE 112 16.477 -10.645 -17.628 799 HA PRO 113 HA PRO 113 19.242 -15.864 -14.520 800 HB2 PRO 113 1HB PRO 113 17.439 -17.518 -13.302 801 HB3 PRO 113 2HB PRO 113 18.806 -16.809 -12.466 802 HG2 PRO 113 1HG PRO 113 15.949 -16.066 -12.308 803 HG3 PRO 113 2HG PRO 113 17.247 -15.678 -11.197 804 HD2 PRO 113 1HD PRO 113 16.062 -13.923 -13.131 805 HD3 PRO 113 2HD PRO 113 17.435 -13.572 -12.101 806 H SER 114 H SER 114 18.969 -15.487 -16.774 807 HA SER 114 HA SER 114 16.630 -16.973 -17.684 808 HB2 SER 114 1HB SER 114 17.139 -14.248 -18.128 809 HB3 SER 114 2HB SER 114 17.665 -15.008 -19.617 810 HG SER 114 HG SER 114 15.122 -15.669 -18.432 811 H SER 115 H SER 115 19.809 -15.605 -18.834 812 HA SER 115 HA SER 115 21.467 -16.491 -19.920 813 HB2 SER 115 1HB SER 115 20.381 -18.792 -18.455 814 HB3 SER 115 2HB SER 115 21.150 -19.293 -19.948 815 HG SER 115 HG SER 115 22.298 -17.862 -17.728 816 H GLY 116 H GLY 116 21.295 -16.002 -22.085 817 HA2 GLY 116 1HA GLY 116 20.589 -17.851 -24.008 818 HA3 GLY 116 2HA GLY 116 19.137 -16.919 -23.700 819 H SER 117 H SER 117 20.559 -16.901 -26.203 820 HA SER 117 HA SER 117 22.381 -14.894 -26.478 821 HB2 SER 117 1HB SER 117 21.775 -16.512 -28.257 822 HB3 SER 117 2HB SER 117 20.200 -15.762 -28.427 823 HG SER 117 HG SER 117 21.649 -13.702 -28.791 824 H GLY 118 H GLY 118 18.784 -14.698 -27.042 825 HA2 GLY 118 1HA GLY 118 17.347 -13.008 -26.554 826 HA3 GLY 118 2HA GLY 118 18.655 -12.092 -25.832 827 HA PRO 119 HA PRO 119 18.364 -11.196 -30.507 828 HB2 PRO 119 1HB PRO 119 15.872 -11.423 -31.604 829 HB3 PRO 119 2HB PRO 119 17.103 -12.660 -31.758 830 HG2 PRO 119 1HG PRO 119 14.695 -12.645 -30.043 831 HG3 PRO 119 2HG PRO 119 15.687 -14.005 -30.531 832 HD2 PRO 119 1HD PRO 119 15.695 -12.704 -27.974 833 HD3 PRO 119 2HD PRO 119 16.766 -13.987 -28.501 834 H SER 120 H SER 120 17.731 -9.238 -31.689 835 HA SER 120 HA SER 120 16.717 -7.406 -29.697 836 HB2 SER 120 1HB SER 120 18.862 -7.201 -31.358 837 HB3 SER 120 2HB SER 120 17.656 -6.435 -32.373 838 HG SER 120 HG SER 120 17.572 -5.573 -29.706 839 H SER 121 H SER 121 16.316 -8.074 -33.259 840 HA SER 121 HA SER 121 14.673 -7.623 -34.628 841 HB2 SER 121 1HB SER 121 13.773 -9.654 -33.671 842 HB3 SER 121 2HB SER 121 13.157 -8.804 -32.268 843 HG SER 121 HG SER 121 11.536 -7.851 -33.502 844 H GLY 122 H GLY 122 14.733 -5.333 -34.834 845 HA2 GLY 122 1HA GLY 122 12.708 -3.741 -34.681 846 HA3 GLY 122 2HA GLY 122 13.067 -3.787 -32.966 Start of MODEL 17 1 H1 GLY 1 H GLY 1 38.089 -23.586 9.249 2 HA2 GLY 1 1HA GLY 1 37.404 -25.331 11.453 3 HA3 GLY 1 2HA GLY 1 38.269 -23.809 11.515 4 H SER 2 H SER 2 36.804 -21.805 10.773 5 HA SER 2 HA SER 2 34.050 -22.094 11.301 6 HB2 SER 2 1HB SER 2 35.722 -21.738 13.584 7 HB3 SER 2 2HB SER 2 34.954 -20.187 13.305 8 HG SER 2 HG SER 2 33.302 -21.083 14.346 9 H SER 3 H SER 3 32.888 -20.084 10.833 10 HA SER 3 HA SER 3 32.563 -18.170 9.861 11 HB2 SER 3 1HB SER 3 34.225 -17.368 11.658 12 HB3 SER 3 2HB SER 3 35.455 -17.395 10.410 13 HG SER 3 HG SER 3 33.216 -15.660 10.716 14 H GLY 4 H GLY 4 32.848 -17.103 7.757 15 HA2 GLY 4 1HA GLY 4 35.047 -17.715 6.061 16 HA3 GLY 4 2HA GLY 4 33.684 -18.758 5.707 17 H SER 5 H SER 5 33.431 -17.742 3.605 18 HA SER 5 HA SER 5 32.971 -14.957 3.479 19 HB2 SER 5 1HB SER 5 32.296 -17.071 1.389 20 HB3 SER 5 2HB SER 5 32.521 -15.356 1.107 21 HG SER 5 HG SER 5 34.477 -17.364 1.704 22 H SER 6 H SER 6 30.836 -14.157 2.311 23 HA SER 6 HA SER 6 28.643 -15.453 3.722 24 HB2 SER 6 1HB SER 6 29.224 -12.592 2.955 25 HB3 SER 6 2HB SER 6 27.552 -13.090 3.121 26 HG SER 6 HG SER 6 28.591 -12.222 5.109 27 H GLY 7 H GLY 7 26.411 -15.045 2.515 28 HA2 GLY 7 1HA GLY 7 26.847 -15.543 -0.371 29 HA3 GLY 7 2HA GLY 7 25.664 -16.396 0.601 30 H ALA 8 H ALA 8 24.028 -15.608 -0.956 31 HA ALA 8 HA ALA 8 23.447 -12.751 -0.649 32 HB1 ALA 8 1HB ALA 8 23.773 -13.999 -2.941 33 HB2 ALA 8 2HB ALA 8 22.119 -14.587 -2.641 34 HB3 ALA 8 3HB ALA 8 22.436 -12.839 -2.752 35 H GLY 9 H GLY 9 21.891 -16.033 -0.692 36 HA2 GLY 9 1HA GLY 9 20.527 -16.550 1.269 37 HA3 GLY 9 2HA GLY 9 19.849 -14.938 1.150 38 H GLN 10 H GLN 10 19.283 -18.165 0.439 39 HA GLN 10 HA GLN 10 18.307 -18.228 -2.085 40 HB2 GLN 10 1HB GLN 10 18.348 -19.945 0.076 41 HB3 GLN 10 2HB GLN 10 16.628 -19.644 -0.079 42 HG2 GLN 10 1HG GLN 10 16.482 -20.900 -1.971 43 HG3 GLN 10 2HG GLN 10 17.837 -20.074 -2.713 44 HE21 GLN 10 1HE2 GLN 10 18.375 -22.163 -3.557 45 HE22 GLN 10 2HE2 GLN 10 19.283 -23.297 -2.614 46 H VAL 11 H VAL 11 15.670 -18.705 -2.365 47 HA VAL 11 HA VAL 11 13.773 -17.632 -2.773 48 HB VAL 11 HB VAL 11 13.533 -18.369 -0.406 49 HG11 VAL 11 1HG1 VAL 11 13.455 -16.371 1.262 50 HG12 VAL 11 2HG1 VAL 11 15.025 -17.110 0.867 51 HG13 VAL 11 3HG1 VAL 11 14.546 -15.576 0.102 52 HG21 VAL 11 1HG2 VAL 11 11.797 -17.021 -1.916 53 HG22 VAL 11 2HG2 VAL 11 11.431 -17.475 -0.234 54 HG23 VAL 11 3HG2 VAL 11 11.978 -15.824 -0.611 55 H VAL 12 H VAL 12 12.569 -15.357 -2.571 56 HA VAL 12 HA VAL 12 14.607 -13.398 -3.312 57 HB VAL 12 HB VAL 12 12.795 -14.060 -4.900 58 HG11 VAL 12 1HG1 VAL 12 10.991 -14.312 -3.210 59 HG12 VAL 12 2HG1 VAL 12 10.980 -12.545 -2.994 60 HG13 VAL 12 3HG1 VAL 12 10.530 -13.253 -4.564 61 HG21 VAL 12 1HG2 VAL 12 12.248 -11.192 -4.426 62 HG22 VAL 12 2HG2 VAL 12 13.971 -11.633 -4.500 63 HG23 VAL 12 3HG2 VAL 12 12.895 -12.019 -5.864 64 H HIS 13 H HIS 13 14.175 -11.084 -2.644 65 HA HIS 13 HA HIS 13 13.142 -11.106 0.096 66 HB2 HIS 13 1HB HIS 13 14.667 -9.252 0.539 67 HB3 HIS 13 2HB HIS 13 15.526 -10.677 -0.013 68 HD1 HIS 13 1HD HIS 13 16.482 -10.609 -2.511 69 HD2 HIS 13 2HD HIS 13 14.964 -6.982 -1.050 70 HE1 HIS 13 1HE HIS 13 17.348 -8.789 -4.076 71 H THR 14 H THR 14 12.188 -8.946 0.820 72 HA THR 14 HA THR 14 10.838 -7.631 -1.442 73 HB THR 14 HB THR 14 8.913 -7.508 0.412 74 HG1 THR 14 1HG THR 14 9.168 -9.269 1.885 75 HG21 THR 14 1HG2 THR 14 8.076 -9.790 -0.289 76 HG22 THR 14 2HG2 THR 14 8.581 -8.794 -1.675 77 HG23 THR 14 3HG2 THR 14 9.646 -10.087 -1.072 78 H GLU 15 H GLU 15 10.572 -5.417 -1.331 79 HA GLU 15 HA GLU 15 11.980 -4.220 0.925 80 HB2 GLU 15 1HB GLU 15 11.936 -3.621 -2.012 81 HB3 GLU 15 2HB GLU 15 12.024 -2.240 -0.936 82 HG2 GLU 15 1HG GLU 15 13.883 -3.948 0.213 83 HG3 GLU 15 2HG GLU 15 14.057 -4.341 -1.486 84 H THR 16 H THR 16 11.169 -2.052 1.648 85 HA THR 16 HA THR 16 8.281 -1.783 1.120 86 HB THR 16 HB THR 16 8.515 -0.804 3.626 87 HG1 THR 16 1HG THR 16 10.704 -1.176 4.005 88 HG21 THR 16 1HG2 THR 16 8.344 -3.278 4.474 89 HG22 THR 16 2HG2 THR 16 7.074 -2.704 3.367 90 HG23 THR 16 3HG2 THR 16 8.398 -3.722 2.752 91 H THR 17 H THR 17 7.458 0.236 0.718 92 HA THR 17 HA THR 17 9.493 2.358 0.522 93 HB THR 17 HB THR 17 8.704 1.652 -1.685 94 HG1 THR 17 1HG THR 17 7.960 3.756 -2.224 95 HG21 THR 17 1HG2 THR 17 6.172 2.066 -2.154 96 HG22 THR 17 2HG2 THR 17 6.593 0.554 -1.313 97 HG23 THR 17 3HG2 THR 17 5.954 1.937 -0.392 98 H GLU 18 H GLU 18 8.640 4.608 0.769 99 HA GLU 18 HA GLU 18 6.470 4.585 2.718 100 HB2 GLU 18 1HB GLU 18 9.229 5.594 2.954 101 HB3 GLU 18 2HB GLU 18 8.038 6.818 3.349 102 HG2 GLU 18 1HG GLU 18 7.236 5.657 5.199 103 HG3 GLU 18 2HG GLU 18 7.561 4.085 4.495 104 H VAL 19 H VAL 19 4.724 5.602 1.838 105 HA VAL 19 HA VAL 19 5.220 7.644 -0.183 106 HB VAL 19 HB VAL 19 2.580 6.456 0.659 107 HG11 VAL 19 1HG1 VAL 19 3.298 8.488 -1.156 108 HG12 VAL 19 2HG1 VAL 19 2.899 7.067 -2.152 109 HG13 VAL 19 3HG1 VAL 19 1.713 7.696 -0.982 110 HG21 VAL 19 1HG2 VAL 19 3.297 5.152 -1.677 111 HG22 VAL 19 2HG2 VAL 19 4.809 5.163 -0.737 112 HG23 VAL 19 3HG2 VAL 19 3.330 4.460 -0.037 113 H VAL 20 H VAL 20 4.857 9.800 0.159 114 HA VAL 20 HA VAL 20 3.615 10.493 2.732 115 HB VAL 20 HB VAL 20 6.018 11.644 1.321 116 HG11 VAL 20 1HG1 VAL 20 4.037 13.029 2.967 117 HG12 VAL 20 2HG1 VAL 20 5.680 13.129 3.645 118 HG13 VAL 20 3HG1 VAL 20 5.368 13.684 1.983 119 HG21 VAL 20 1HG2 VAL 20 6.714 11.410 3.919 120 HG22 VAL 20 2HG2 VAL 20 5.512 10.101 3.813 121 HG23 VAL 20 3HG2 VAL 20 6.923 10.105 2.727 122 H LEU 21 H LEU 21 1.542 10.984 2.080 123 HA LEU 21 HA LEU 21 1.274 12.707 -0.264 124 HB2 LEU 21 1HB LEU 21 -0.781 11.122 1.284 125 HB3 LEU 21 2HB LEU 21 -1.112 12.110 -0.125 126 HG LEU 21 HG LEU 21 -0.889 10.214 -1.283 127 HD11 LEU 21 1HD1 LEU 21 1.214 11.459 -1.819 128 HD12 LEU 21 2HD1 LEU 21 2.068 10.406 -0.666 129 HD13 LEU 21 3HD1 LEU 21 1.297 9.705 -2.109 130 HD21 LEU 21 1HD2 LEU 21 -0.398 8.161 -0.395 131 HD22 LEU 21 2HD2 LEU 21 0.931 8.785 0.613 132 HD23 LEU 21 3HD2 LEU 21 -0.759 9.074 1.090 133 H THR 22 H THR 22 1.020 14.857 -0.011 134 HA THR 22 HA THR 22 0.623 15.878 2.669 135 HB THR 22 HB THR 22 0.877 17.502 0.109 136 HG1 THR 22 1HG THR 22 3.178 17.020 0.322 137 HG21 THR 22 1HG2 THR 22 1.062 18.025 2.948 138 HG22 THR 22 2HG2 THR 22 2.689 18.198 2.246 139 HG23 THR 22 3HG2 THR 22 1.336 19.162 1.606 140 H ALA 23 H ALA 23 -1.416 15.700 3.436 141 HA ALA 23 HA ALA 23 -3.737 15.515 2.159 142 HB1 ALA 23 1HB ALA 23 -3.283 15.588 4.655 143 HB2 ALA 23 2HB ALA 23 -3.330 17.363 4.539 144 HB3 ALA 23 3HB ALA 23 -4.776 16.406 4.138 145 H ASP 24 H ASP 24 -4.040 16.550 0.188 146 HA ASP 24 HA ASP 24 -3.354 19.197 -0.247 147 HB2 ASP 24 1HB ASP 24 -4.375 17.047 -1.741 148 HB3 ASP 24 2HB ASP 24 -5.665 18.231 -1.817 149 HA PRO 25 HA PRO 25 -6.887 21.284 1.300 150 HB2 PRO 25 1HB PRO 25 -7.212 23.380 -0.424 151 HB3 PRO 25 2HB PRO 25 -6.005 23.362 0.846 152 HG2 PRO 25 1HG PRO 25 -5.639 22.989 -2.063 153 HG3 PRO 25 2HG PRO 25 -4.442 23.395 -0.849 154 HD2 PRO 25 1HD PRO 25 -4.839 20.834 -2.078 155 HD3 PRO 25 2HD PRO 25 -3.721 21.213 -0.783 156 H VAL 26 H VAL 26 -7.080 19.465 -1.376 157 HA VAL 26 HA VAL 26 -9.987 19.855 -1.431 158 HB VAL 26 HB VAL 26 -8.094 19.494 -3.757 159 HG11 VAL 26 1HG1 VAL 26 -10.562 18.291 -3.565 160 HG12 VAL 26 2HG1 VAL 26 -10.952 19.831 -4.368 161 HG13 VAL 26 3HG1 VAL 26 -9.745 18.736 -5.083 162 HG21 VAL 26 1HG2 VAL 26 -8.997 21.605 -4.547 163 HG22 VAL 26 2HG2 VAL 26 -10.124 21.675 -3.171 164 HG23 VAL 26 3HG2 VAL 26 -8.371 21.806 -2.893 165 H THR 27 H THR 27 -7.343 17.646 -2.608 166 HA THR 27 HA THR 27 -8.955 15.421 -1.539 167 HB THR 27 HB THR 27 -7.989 14.096 -3.415 168 HG1 THR 27 1HG THR 27 -6.941 16.695 -4.251 169 HG21 THR 27 1HG2 THR 27 -10.044 15.280 -4.057 170 HG22 THR 27 2HG2 THR 27 -9.144 16.801 -4.269 171 HG23 THR 27 3HG2 THR 27 -8.874 15.444 -5.389 172 H GLY 28 H GLY 28 -7.900 15.906 0.549 173 HA2 GLY 28 1HA GLY 28 -5.500 16.106 1.423 174 HA3 GLY 28 2HA GLY 28 -6.474 14.769 2.002 175 H PHE 29 H PHE 29 -6.117 12.614 1.202 176 HA PHE 29 HA PHE 29 -3.552 12.364 -0.200 177 HB2 PHE 29 1HB PHE 29 -5.025 10.261 1.470 178 HB3 PHE 29 2HB PHE 29 -3.315 10.301 1.089 179 HD1 PHE 29 1HD PHE 29 -2.041 12.440 2.016 180 HD2 PHE 29 2HD PHE 29 -5.689 10.934 3.575 181 HE1 PHE 29 1HE PHE 29 -1.581 13.588 4.200 182 HE2 PHE 29 2HE PHE 29 -5.229 12.082 5.759 183 HZ PHE 29 HZ PHE 29 -3.181 13.395 6.046 184 H GLY 30 H GLY 30 -6.992 11.746 -0.301 185 HA2 GLY 30 1HA GLY 30 -8.308 10.624 -1.739 186 HA3 GLY 30 2HA GLY 30 -7.095 11.015 -2.942 187 H ILE 31 H ILE 31 -7.549 8.711 -0.159 188 HA ILE 31 HA ILE 31 -6.705 6.573 -1.961 189 HB ILE 31 HB ILE 31 -5.646 6.742 0.846 190 HG12 ILE 31 1HG1 ILE 31 -4.227 7.737 -1.642 191 HG13 ILE 31 2HG1 ILE 31 -4.933 8.771 -0.416 192 HG21 ILE 31 1HG2 ILE 31 -4.408 5.317 -1.495 193 HG22 ILE 31 2HG2 ILE 31 -4.233 5.001 0.248 194 HG23 ILE 31 3HG2 ILE 31 -5.751 4.585 -0.584 195 HD11 ILE 31 1HD1 ILE 31 -2.618 8.583 0.165 196 HD12 ILE 31 2HD1 ILE 31 -3.473 7.513 1.302 197 HD13 ILE 31 3HD1 ILE 31 -2.618 6.823 -0.099 198 H GLN 32 H GLN 32 -7.629 4.518 -1.468 199 HA GLN 32 HA GLN 32 -9.564 4.585 0.698 200 HB2 GLN 32 1HB GLN 32 -10.097 4.224 -2.222 201 HB3 GLN 32 2HB GLN 32 -10.945 3.126 -1.152 202 HG2 GLN 32 1HG GLN 32 -10.914 6.126 -0.639 203 HG3 GLN 32 2HG GLN 32 -12.090 5.398 -1.716 204 HE21 GLN 32 1HE2 GLN 32 -13.696 6.151 -0.266 205 HE22 GLN 32 2HE2 GLN 32 -14.094 5.283 1.179 206 H LEU 33 H LEU 33 -9.737 2.643 1.842 207 HA LEU 33 HA LEU 33 -7.870 0.568 0.978 208 HB2 LEU 33 1HB LEU 33 -9.182 1.042 3.659 209 HB3 LEU 33 2HB LEU 33 -8.008 -0.207 3.294 210 HG LEU 33 HG LEU 33 -6.967 1.632 4.485 211 HD11 LEU 33 1HD1 LEU 33 -5.883 0.358 2.431 212 HD12 LEU 33 2HD1 LEU 33 -5.865 1.996 1.734 213 HD13 LEU 33 3HD1 LEU 33 -5.033 1.675 3.274 214 HD21 LEU 33 1HD2 LEU 33 -7.471 3.493 2.176 215 HD22 LEU 33 2HD2 LEU 33 -8.645 3.339 3.505 216 HD23 LEU 33 3HD2 LEU 33 -6.979 3.865 3.846 217 H GLN 34 H GLN 34 -8.527 -1.707 1.101 218 HA GLN 34 HA GLN 34 -11.384 -1.928 0.565 219 HB2 GLN 34 1HB GLN 34 -10.836 -3.874 -0.838 220 HB3 GLN 34 2HB GLN 34 -9.933 -2.469 -1.368 221 HG2 GLN 34 1HG GLN 34 -7.923 -3.428 -0.865 222 HG3 GLN 34 2HG GLN 34 -8.481 -3.985 0.700 223 HE21 GLN 34 1HE2 GLN 34 -8.557 -6.072 0.971 224 HE22 GLN 34 2HE2 GLN 34 -8.776 -7.287 -0.244 225 H GLY 35 H GLY 35 -12.587 -3.656 1.529 226 HA2 GLY 35 1HA GLY 35 -11.624 -5.796 2.945 227 HA3 GLY 35 2HA GLY 35 -11.616 -4.473 4.093 228 H SER 36 H SER 36 -13.293 -5.620 5.317 229 HA SER 36 HA SER 36 -15.898 -5.043 4.186 230 HB2 SER 36 1HB SER 36 -14.931 -7.641 4.273 231 HB3 SER 36 2HB SER 36 -15.803 -7.539 5.790 232 HG SER 36 HG SER 36 -16.776 -7.517 3.145 233 H VAL 37 H VAL 37 -17.566 -5.767 6.231 234 HA VAL 37 HA VAL 37 -16.509 -4.182 8.454 235 HB VAL 37 HB VAL 37 -18.802 -3.737 9.005 236 HG11 VAL 37 1HG1 VAL 37 -17.611 -2.497 7.097 237 HG12 VAL 37 2HG1 VAL 37 -18.652 -3.436 6.000 238 HG13 VAL 37 3HG1 VAL 37 -19.381 -2.340 7.198 239 HG21 VAL 37 1HG2 VAL 37 -19.391 -5.865 6.956 240 HG22 VAL 37 2HG2 VAL 37 -20.021 -5.681 8.610 241 HG23 VAL 37 3HG2 VAL 37 -20.590 -4.600 7.316 242 H PHE 38 H PHE 38 -17.869 -7.339 7.501 243 HA PHE 38 HA PHE 38 -17.787 -8.195 10.286 244 HB2 PHE 38 1HB PHE 38 -18.917 -9.187 7.626 245 HB3 PHE 38 2HB PHE 38 -18.735 -10.327 8.944 246 HD1 PHE 38 2HD PHE 38 -19.582 -8.991 11.302 247 HD2 PHE 38 1HD PHE 38 -21.118 -8.580 7.367 248 HE1 PHE 38 2HE PHE 38 -21.791 -8.256 12.241 249 HE2 PHE 38 1HE PHE 38 -23.327 -7.846 8.306 250 HZ PHE 38 HZ PHE 38 -23.637 -7.692 10.732 251 H ALA 39 H ALA 39 -16.390 -9.798 11.048 252 HA ALA 39 HA ALA 39 -14.908 -11.484 9.382 253 HB1 ALA 39 1HB ALA 39 -12.863 -10.451 9.124 254 HB2 ALA 39 2HB ALA 39 -13.916 -9.017 9.070 255 HB3 ALA 39 3HB ALA 39 -13.067 -9.441 10.576 256 H THR 40 H THR 40 -12.849 -12.299 10.839 257 HA THR 40 HA THR 40 -14.094 -13.058 13.338 258 HB THR 40 HB THR 40 -11.576 -13.866 11.806 259 HG1 THR 40 1HG THR 40 -13.013 -15.873 11.872 260 HG21 THR 40 1HG2 THR 40 -11.191 -15.591 13.447 261 HG22 THR 40 2HG2 THR 40 -11.362 -14.090 14.389 262 HG23 THR 40 3HG2 THR 40 -12.721 -15.235 14.283 263 H GLU 41 H GLU 41 -10.606 -12.376 12.899 264 HA GLU 41 HA GLU 41 -10.792 -10.808 15.321 265 HB2 GLU 41 1HB GLU 41 -9.133 -12.631 15.261 266 HB3 GLU 41 2HB GLU 41 -8.390 -11.949 13.828 267 HG2 GLU 41 1HG GLU 41 -7.379 -10.207 14.998 268 HG3 GLU 41 2HG GLU 41 -8.654 -10.122 16.198 269 H THR 42 H THR 42 -9.184 -10.636 12.059 270 HA THR 42 HA THR 42 -9.572 -7.721 12.178 271 HB THR 42 HB THR 42 -7.201 -8.300 12.694 272 HG1 THR 42 1HG THR 42 -7.304 -6.447 11.419 273 HG21 THR 42 1HG2 THR 42 -6.640 -9.220 9.928 274 HG22 THR 42 2HG2 THR 42 -5.960 -9.800 11.468 275 HG23 THR 42 3HG2 THR 42 -7.531 -10.416 10.900 276 H LEU 43 H LEU 43 -8.007 -7.971 9.437 277 HA LEU 43 HA LEU 43 -10.477 -8.362 7.942 278 HB2 LEU 43 1HB LEU 43 -9.477 -6.275 7.539 279 HB3 LEU 43 2HB LEU 43 -7.873 -6.966 7.388 280 HG LEU 43 HG LEU 43 -8.438 -7.970 5.254 281 HD11 LEU 43 1HD1 LEU 43 -10.518 -8.512 4.716 282 HD12 LEU 43 2HD1 LEU 43 -11.126 -7.672 6.163 283 HD13 LEU 43 3HD1 LEU 43 -10.950 -6.788 4.628 284 HD21 LEU 43 1HD2 LEU 43 -7.567 -5.811 4.996 285 HD22 LEU 43 2HD2 LEU 43 -9.024 -5.830 3.973 286 HD23 LEU 43 3HD2 LEU 43 -9.065 -5.036 5.565 287 H SER 44 H SER 44 -8.328 -10.411 9.139 288 HA SER 44 HA SER 44 -7.352 -12.265 8.528 289 HB2 SER 44 1HB SER 44 -8.805 -13.838 7.616 290 HB3 SER 44 2HB SER 44 -9.938 -12.581 8.072 291 HG SER 44 HG SER 44 -9.564 -13.622 5.634 292 H SER 45 H SER 45 -6.318 -9.917 7.171 293 HA SER 45 HA SER 45 -4.572 -10.933 5.465 294 HB2 SER 45 1HB SER 45 -5.661 -10.083 3.186 295 HB3 SER 45 2HB SER 45 -5.934 -11.714 3.764 296 HG SER 45 HG SER 45 -7.742 -9.768 4.736 297 HA PRO 46 HA PRO 46 -3.509 -6.714 5.426 298 HB2 PRO 46 1HB PRO 46 -1.808 -6.491 3.299 299 HB3 PRO 46 2HB PRO 46 -1.324 -7.153 4.848 300 HG2 PRO 46 1HG PRO 46 -1.883 -8.576 2.317 301 HG3 PRO 46 2HG PRO 46 -1.007 -9.143 3.725 302 HD2 PRO 46 1HD PRO 46 -3.686 -9.840 2.976 303 HD3 PRO 46 2HD PRO 46 -2.851 -10.314 4.442 304 HA PRO 47 HA PRO 47 -6.120 -4.500 2.913 305 HB2 PRO 47 1HB PRO 47 -5.397 -1.939 3.532 306 HB3 PRO 47 2HB PRO 47 -6.477 -2.895 4.525 307 HG2 PRO 47 1HG PRO 47 -3.643 -2.205 5.005 308 HG3 PRO 47 2HG PRO 47 -4.842 -2.778 6.147 309 HD2 PRO 47 1HD PRO 47 -2.722 -4.310 4.970 310 HD3 PRO 47 2HD PRO 47 -3.989 -4.910 6.021 311 H LEU 48 H LEU 48 -6.346 -3.162 1.007 312 HA LEU 48 HA LEU 48 -3.773 -2.634 -0.254 313 HB2 LEU 48 1HB LEU 48 -5.926 -4.115 -1.742 314 HB3 LEU 48 2HB LEU 48 -4.267 -3.821 -2.224 315 HG LEU 48 HG LEU 48 -4.816 -5.464 0.230 316 HD11 LEU 48 1HD1 LEU 48 -4.618 -7.451 -1.498 317 HD12 LEU 48 2HD1 LEU 48 -6.191 -6.716 -1.103 318 HD13 LEU 48 3HD1 LEU 48 -5.347 -6.260 -2.603 319 HD21 LEU 48 1HD2 LEU 48 -2.720 -6.560 -0.421 320 HD22 LEU 48 2HD2 LEU 48 -2.620 -5.516 -1.859 321 HD23 LEU 48 3HD2 LEU 48 -2.518 -4.802 -0.232 322 H ILE 49 H ILE 49 -3.782 -0.800 -1.539 323 HA ILE 49 HA ILE 49 -5.720 1.096 -1.090 324 HB ILE 49 HB ILE 49 -3.638 0.774 -3.238 325 HG12 ILE 49 1HG1 ILE 49 -3.809 2.545 -0.782 326 HG13 ILE 49 2HG1 ILE 49 -2.845 1.090 -0.932 327 HG21 ILE 49 1HG2 ILE 49 -4.429 3.490 -3.051 328 HG22 ILE 49 2HG2 ILE 49 -4.543 2.394 -4.449 329 HG23 ILE 49 3HG2 ILE 49 -5.902 2.525 -3.307 330 HD11 ILE 49 1HD1 ILE 49 -2.397 3.798 -2.117 331 HD12 ILE 49 2HD1 ILE 49 -1.215 2.595 -1.548 332 HD13 ILE 49 3HD1 ILE 49 -1.971 2.411 -3.148 333 H SER 50 H SER 50 -7.845 0.385 -1.369 334 HA SER 50 HA SER 50 -8.750 -1.100 -3.463 335 HB2 SER 50 1HB SER 50 -9.991 -0.479 -1.339 336 HB3 SER 50 2HB SER 50 -10.300 1.102 -2.030 337 HG SER 50 HG SER 50 -11.058 -1.347 -3.367 338 H TYR 51 H TYR 51 -8.932 2.522 -3.084 339 HA TYR 51 HA TYR 51 -8.700 2.730 -5.993 340 HB2 TYR 51 1HB TYR 51 -11.133 2.818 -5.197 341 HB3 TYR 51 2HB TYR 51 -10.705 4.123 -4.109 342 HD1 TYR 51 1HD TYR 51 -10.651 3.240 -7.751 343 HD2 TYR 51 2HD TYR 51 -10.944 6.338 -4.815 344 HE1 TYR 51 1HE TYR 51 -11.148 4.935 -9.579 345 HE2 TYR 51 2HE TYR 51 -11.439 8.023 -6.653 346 HH TYR 51 HH TYR 51 -11.238 7.106 -10.041 347 H ILE 52 H ILE 52 -8.017 4.905 -6.713 348 HA ILE 52 HA ILE 52 -6.774 6.439 -4.543 349 HB ILE 52 HB ILE 52 -5.522 5.665 -7.181 350 HG12 ILE 52 1HG1 ILE 52 -4.529 4.990 -4.409 351 HG13 ILE 52 2HG1 ILE 52 -5.647 3.949 -5.267 352 HG21 ILE 52 1HG2 ILE 52 -4.484 7.463 -4.973 353 HG22 ILE 52 2HG2 ILE 52 -3.538 6.881 -6.364 354 HG23 ILE 52 3HG2 ILE 52 -4.937 7.951 -6.624 355 HD11 ILE 52 1HD1 ILE 52 -2.802 4.125 -5.584 356 HD12 ILE 52 2HD1 ILE 52 -3.938 3.071 -6.458 357 HD13 ILE 52 3HD1 ILE 52 -3.545 4.683 -7.102 358 H GLU 53 H GLU 53 -7.930 8.296 -4.455 359 HA GLU 53 HA GLU 53 -9.527 9.250 -6.425 360 HB2 GLU 53 1HB GLU 53 -8.821 10.021 -3.850 361 HB3 GLU 53 2HB GLU 53 -8.245 11.373 -4.805 362 HG2 GLU 53 1HG GLU 53 -10.782 10.780 -5.902 363 HG3 GLU 53 2HG GLU 53 -11.005 10.586 -4.175 364 H ALA 54 H ALA 54 -9.338 11.075 -7.936 365 HA ALA 54 HA ALA 54 -6.728 11.092 -9.181 366 HB1 ALA 54 1HB ALA 54 -8.375 10.869 -10.792 367 HB2 ALA 54 2HB ALA 54 -9.534 11.887 -9.903 368 HB3 ALA 54 3HB ALA 54 -8.184 12.639 -10.786 369 H ASP 55 H ASP 55 -5.886 13.289 -10.002 370 HA ASP 55 HA ASP 55 -4.925 15.159 -9.448 371 HB2 ASP 55 1HB ASP 55 -7.427 15.812 -9.873 372 HB3 ASP 55 2HB ASP 55 -7.532 16.020 -8.136 373 H SER 56 H SER 56 -4.890 12.970 -7.413 374 HA SER 56 HA SER 56 -4.820 14.573 -4.980 375 HB2 SER 56 1HB SER 56 -5.479 12.720 -3.760 376 HB3 SER 56 2HB SER 56 -6.259 12.347 -5.284 377 HG SER 56 HG SER 56 -5.090 10.567 -5.366 378 HA PRO 57 HA PRO 57 -0.543 13.815 -4.686 379 HB2 PRO 57 1HB PRO 57 -0.088 13.502 -2.009 380 HB3 PRO 57 2HB PRO 57 -0.326 15.066 -2.765 381 HG2 PRO 57 1HG PRO 57 -2.202 13.512 -1.090 382 HG3 PRO 57 2HG PRO 57 -2.243 15.217 -1.492 383 HD2 PRO 57 1HD PRO 57 -3.876 13.147 -2.622 384 HD3 PRO 57 2HD PRO 57 -3.835 14.831 -3.105 385 H ALA 58 H ALA 58 -2.650 11.385 -3.585 386 HA ALA 58 HA ALA 58 -0.613 9.454 -3.102 387 HB1 ALA 58 1HB ALA 58 -2.685 9.171 -1.969 388 HB2 ALA 58 2HB ALA 58 -3.624 9.376 -3.468 389 HB3 ALA 58 3HB ALA 58 -2.658 7.902 -3.216 390 H GLU 59 H GLU 59 -2.292 10.745 -5.916 391 HA GLU 59 HA GLU 59 -1.418 8.478 -7.490 392 HB2 GLU 59 1HB GLU 59 -3.767 9.391 -7.714 393 HB3 GLU 59 2HB GLU 59 -3.091 10.883 -8.337 394 HG2 GLU 59 1HG GLU 59 -3.598 9.666 -10.302 395 HG3 GLU 59 2HG GLU 59 -1.879 9.393 -10.102 396 H ARG 60 H ARG 60 -0.640 11.815 -6.713 397 HA ARG 60 HA ARG 60 0.689 12.500 -9.027 398 HB2 ARG 60 1HB ARG 60 0.838 13.379 -6.133 399 HB3 ARG 60 2HB ARG 60 2.055 13.973 -7.245 400 HG2 ARG 60 1HG ARG 60 -0.328 14.320 -8.681 401 HG3 ARG 60 2HG ARG 60 -0.805 14.689 -7.036 402 HD2 ARG 60 1HD ARG 60 1.737 15.952 -7.442 403 HD3 ARG 60 2HD ARG 60 0.780 16.295 -8.869 404 HE ARG 60 HE ARG 60 -0.996 16.772 -6.798 405 HH11 ARG 60 2HH2 ARG 60 2.242 17.927 -7.548 406 HH12 ARG 60 1HH2 ARG 60 2.016 19.456 -6.765 407 HH21 ARG 60 2HH1 ARG 60 -1.295 18.788 -5.766 408 HH22 ARG 60 1HH1 ARG 60 -0.010 19.949 -5.745 409 H CYS 61 H CYS 61 1.708 10.700 -6.086 410 HA CYS 61 HA CYS 61 4.433 10.717 -6.516 411 HB2 CYS 61 1HB CYS 61 2.712 9.606 -4.650 412 HB3 CYS 61 2HB CYS 61 3.408 8.192 -5.417 413 HG CYS 61 HG CYS 61 5.823 9.958 -5.354 414 H GLY 62 H GLY 62 1.796 8.581 -7.755 415 HA2 GLY 62 1HA GLY 62 1.718 7.371 -9.670 416 HA3 GLY 62 2HA GLY 62 3.325 7.928 -10.093 417 H VAL 63 H VAL 63 3.368 6.766 -6.885 418 HA VAL 63 HA VAL 63 4.497 4.236 -7.834 419 HB VAL 63 HB VAL 63 5.662 4.202 -5.690 420 HG11 VAL 63 1HG1 VAL 63 6.157 5.906 -7.854 421 HG12 VAL 63 2HG1 VAL 63 6.424 6.915 -6.412 422 HG13 VAL 63 3HG1 VAL 63 7.319 5.389 -6.609 423 HG21 VAL 63 1HG2 VAL 63 5.202 5.532 -3.936 424 HG22 VAL 63 2HG2 VAL 63 5.049 6.985 -4.953 425 HG23 VAL 63 3HG2 VAL 63 3.673 5.870 -4.781 426 H LEU 64 H LEU 64 1.750 5.668 -6.307 427 HA LEU 64 HA LEU 64 1.106 3.247 -4.840 428 HB2 LEU 64 1HB LEU 64 -0.322 5.898 -5.093 429 HB3 LEU 64 2HB LEU 64 -0.856 4.558 -4.098 430 HG LEU 64 HG LEU 64 1.856 5.838 -3.728 431 HD11 LEU 64 1HD1 LEU 64 0.102 6.727 -1.692 432 HD12 LEU 64 2HD1 LEU 64 0.936 7.691 -2.934 433 HD13 LEU 64 3HD1 LEU 64 -0.696 7.054 -3.249 434 HD21 LEU 64 1HD2 LEU 64 0.174 3.880 -2.214 435 HD22 LEU 64 2HD2 LEU 64 1.923 3.878 -2.544 436 HD23 LEU 64 3HD2 LEU 64 1.251 4.973 -1.312 437 H GLN 65 H GLN 65 0.451 1.577 -6.111 438 HA GLN 65 HA GLN 65 -1.265 2.253 -8.352 439 HB2 GLN 65 1HB GLN 65 0.732 0.880 -8.846 440 HB3 GLN 65 2HB GLN 65 0.223 -0.323 -7.678 441 HG2 GLN 65 1HG GLN 65 -0.480 -1.164 -9.812 442 HG3 GLN 65 2HG GLN 65 -1.939 -0.583 -9.034 443 HE21 GLN 65 1HE2 GLN 65 -1.636 -0.945 -11.789 444 HE22 GLN 65 2HE2 GLN 65 -1.760 0.582 -12.597 445 H ILE 66 H ILE 66 -3.302 1.129 -8.685 446 HA ILE 66 HA ILE 66 -4.799 0.826 -6.362 447 HB ILE 66 HB ILE 66 -5.277 -0.046 -9.210 448 HG12 ILE 66 1HG1 ILE 66 -5.017 2.454 -8.429 449 HG13 ILE 66 2HG1 ILE 66 -6.257 1.987 -9.576 450 HG21 ILE 66 1HG2 ILE 66 -6.862 -1.371 -8.309 451 HG22 ILE 66 2HG2 ILE 66 -6.881 -0.491 -6.763 452 HG23 ILE 66 3HG2 ILE 66 -7.761 0.158 -8.167 453 HD11 ILE 66 1HD1 ILE 66 -6.907 3.468 -7.492 454 HD12 ILE 66 2HD1 ILE 66 -7.989 2.145 -7.991 455 HD13 ILE 66 3HD1 ILE 66 -6.882 1.920 -6.615 456 H GLY 67 H GLY 67 -4.599 -0.704 -4.825 457 HA2 GLY 67 1HA GLY 67 -4.952 -2.952 -4.197 458 HA3 GLY 67 2HA GLY 67 -4.261 -3.490 -5.715 459 H ASP 68 H ASP 68 -2.761 -0.824 -3.904 460 HA ASP 68 HA ASP 68 -0.278 -1.901 -3.952 461 HB2 ASP 68 1HB ASP 68 -1.678 0.217 -2.388 462 HB3 ASP 68 2HB ASP 68 -0.217 -0.388 -1.633 463 H ARG 69 H ARG 69 0.867 -1.987 -1.404 464 HA ARG 69 HA ARG 69 -0.685 -4.048 -0.057 465 HB2 ARG 69 1HB ARG 69 2.365 -4.004 -0.256 466 HB3 ARG 69 2HB ARG 69 1.373 -5.299 0.384 467 HG2 ARG 69 1HG ARG 69 1.998 -5.972 -1.842 468 HG3 ARG 69 2HG ARG 69 0.307 -5.519 -1.927 469 HD2 ARG 69 1HD ARG 69 0.737 -3.815 -3.382 470 HD3 ARG 69 2HD ARG 69 2.034 -3.188 -2.384 471 HE ARG 69 HE ARG 69 2.691 -5.645 -3.883 472 HH11 ARG 69 2HH2 ARG 69 2.790 -2.128 -3.810 473 HH12 ARG 69 1HH2 ARG 69 4.063 -2.012 -4.979 474 HH21 ARG 69 2HH1 ARG 69 4.371 -5.493 -5.425 475 HH22 ARG 69 1HH1 ARG 69 4.969 -3.939 -5.903 476 H VAL 70 H VAL 70 -1.255 -1.750 0.997 477 HA VAL 70 HA VAL 70 0.627 -0.446 2.573 478 HB VAL 70 HB VAL 70 -1.508 0.498 1.922 479 HG11 VAL 70 1HG1 VAL 70 -3.399 -0.674 2.046 480 HG12 VAL 70 2HG1 VAL 70 -2.555 -1.974 2.923 481 HG13 VAL 70 3HG1 VAL 70 -3.304 -0.633 3.823 482 HG21 VAL 70 1HG2 VAL 70 -1.708 0.333 4.915 483 HG22 VAL 70 2HG2 VAL 70 -0.253 1.040 4.172 484 HG23 VAL 70 3HG2 VAL 70 -1.854 1.743 3.838 485 H MET 71 H MET 71 1.954 -2.003 3.636 486 HA MET 71 HA MET 71 0.860 -4.038 5.196 487 HB2 MET 71 1HB MET 71 3.579 -2.643 5.484 488 HB3 MET 71 2HB MET 71 3.195 -4.262 6.033 489 HG2 MET 71 1HG MET 71 3.329 -3.287 3.144 490 HG3 MET 71 2HG MET 71 4.384 -4.455 3.915 491 HE1 MET 71 1HE MET 71 3.061 -7.631 3.462 492 HE2 MET 71 2HE MET 71 4.126 -6.520 4.356 493 HE3 MET 71 3HE MET 71 2.598 -7.068 5.085 494 H ALA 72 H ALA 72 1.696 -0.628 5.840 495 HA ALA 72 HA ALA 72 0.323 -0.845 8.385 496 HB1 ALA 72 1HB ALA 72 3.229 -0.023 8.065 497 HB2 ALA 72 2HB ALA 72 2.246 0.435 9.477 498 HB3 ALA 72 3HB ALA 72 2.554 -1.283 9.126 499 H ILE 73 H ILE 73 0.472 1.621 9.374 500 HA ILE 73 HA ILE 73 0.357 3.552 7.225 501 HB ILE 73 HB ILE 73 -2.065 2.793 8.857 502 HG12 ILE 73 1HG1 ILE 73 -1.554 2.797 5.867 503 HG13 ILE 73 2HG1 ILE 73 -1.666 1.380 6.892 504 HG21 ILE 73 1HG2 ILE 73 -1.354 5.368 8.227 505 HG22 ILE 73 2HG2 ILE 73 -2.379 4.907 6.847 506 HG23 ILE 73 3HG2 ILE 73 -3.014 4.787 8.505 507 HD11 ILE 73 1HD1 ILE 73 -3.837 3.218 5.941 508 HD12 ILE 73 2HD1 ILE 73 -3.860 1.453 6.165 509 HD13 ILE 73 3HD1 ILE 73 -4.017 2.530 7.573 510 H ASN 74 H ASN 74 1.887 4.896 8.073 511 HA ASN 74 HA ASN 74 2.640 6.496 9.353 512 HB2 ASN 74 1HB ASN 74 -0.049 6.321 10.281 513 HB3 ASN 74 2HB ASN 74 0.929 6.296 11.735 514 HD21 ASN 74 1HD2 ASN 74 -0.263 8.133 9.108 515 HD22 ASN 74 2HD2 ASN 74 0.446 9.666 9.494 516 H GLY 75 H GLY 75 2.700 3.319 9.821 517 HA2 GLY 75 1HA GLY 75 4.551 2.348 10.973 518 HA3 GLY 75 2HA GLY 75 4.310 3.478 12.291 519 H ILE 76 H ILE 76 1.198 2.873 11.561 520 HA ILE 76 HA ILE 76 0.955 0.941 13.668 521 HB ILE 76 HB ILE 76 -0.932 2.595 12.030 522 HG12 ILE 76 1HG1 ILE 76 0.251 3.585 13.976 523 HG13 ILE 76 2HG1 ILE 76 -1.494 3.591 14.137 524 HG21 ILE 76 1HG2 ILE 76 -1.522 0.013 13.260 525 HG22 ILE 76 2HG2 ILE 76 -2.533 1.332 13.898 526 HG23 ILE 76 3HG2 ILE 76 -2.493 1.008 12.148 527 HD11 ILE 76 1HD1 ILE 76 -0.905 2.770 16.231 528 HD12 ILE 76 2HD1 ILE 76 -1.064 1.236 15.342 529 HD13 ILE 76 3HD1 ILE 76 0.547 1.944 15.614 530 HA PRO 77 HA PRO 77 0.854 -2.473 10.997 531 HB2 PRO 77 1HB PRO 77 0.193 -4.397 12.822 532 HB3 PRO 77 2HB PRO 77 1.832 -3.825 12.583 533 HG2 PRO 77 1HG PRO 77 -0.036 -3.226 14.794 534 HG3 PRO 77 2HG PRO 77 1.704 -3.025 14.743 535 HD2 PRO 77 1HD PRO 77 -0.271 -0.959 14.498 536 HD3 PRO 77 2HD PRO 77 1.464 -0.776 14.331 537 H THR 78 H THR 78 -0.703 -2.147 9.479 538 HA THR 78 HA THR 78 -3.422 -2.072 10.184 539 HB THR 78 HB THR 78 -3.730 -2.101 7.743 540 HG1 THR 78 1HG THR 78 -1.131 -3.345 8.077 541 HG21 THR 78 1HG2 THR 78 -1.558 -0.510 8.968 542 HG22 THR 78 2HG2 THR 78 -1.296 -0.797 7.231 543 HG23 THR 78 3HG2 THR 78 -2.791 -0.007 7.786 544 H GLU 79 H GLU 79 -3.617 -3.878 11.686 545 HA GLU 79 HA GLU 79 -4.758 -6.061 10.394 546 HB2 GLU 79 1HB GLU 79 -2.183 -6.496 10.180 547 HB3 GLU 79 2HB GLU 79 -2.246 -6.866 11.891 548 HG2 GLU 79 1HG GLU 79 -3.558 -8.781 11.582 549 HG3 GLU 79 2HG GLU 79 -4.300 -8.171 10.116 550 H ASP 80 H ASP 80 -3.248 -4.626 13.303 551 HA ASP 80 HA ASP 80 -4.864 -6.246 15.022 552 HB2 ASP 80 1HB ASP 80 -2.433 -4.943 15.298 553 HB3 ASP 80 2HB ASP 80 -3.506 -3.837 16.131 554 H SER 81 H SER 81 -6.444 -4.732 13.198 555 HA SER 81 HA SER 81 -8.003 -3.250 15.025 556 HB2 SER 81 1HB SER 81 -7.785 -1.292 13.034 557 HB3 SER 81 2HB SER 81 -7.133 -1.195 14.658 558 HG SER 81 HG SER 81 -5.119 -1.642 13.944 559 H THR 82 H THR 82 -9.667 -1.847 13.256 560 HA THR 82 HA THR 82 -10.674 -4.050 11.596 561 HB THR 82 HB THR 82 -12.839 -3.100 11.997 562 HG1 THR 82 1HG THR 82 -11.309 -0.803 12.997 563 HG21 THR 82 1HG2 THR 82 -11.303 -2.261 14.505 564 HG22 THR 82 2HG2 THR 82 -13.012 -2.747 14.396 565 HG23 THR 82 3HG2 THR 82 -11.726 -3.955 14.160 566 H PHE 83 H PHE 83 -11.517 -3.616 9.464 567 HA PHE 83 HA PHE 83 -9.774 -2.328 7.836 568 HB2 PHE 83 1HB PHE 83 -11.353 -3.726 6.760 569 HB3 PHE 83 2HB PHE 83 -12.663 -3.200 7.798 570 HD1 PHE 83 1HD PHE 83 -10.776 -2.467 4.749 571 HD2 PHE 83 2HD PHE 83 -13.992 -1.252 7.236 572 HE1 PHE 83 1HE PHE 83 -11.630 -0.978 2.918 573 HE2 PHE 83 2HE PHE 83 -14.846 0.237 5.405 574 HZ PHE 83 HZ PHE 83 -13.655 0.357 3.268 575 H GLU 84 H GLU 84 -12.523 -0.953 9.653 576 HA GLU 84 HA GLU 84 -12.629 1.437 8.208 577 HB2 GLU 84 1HB GLU 84 -13.608 0.551 10.934 578 HB3 GLU 84 2HB GLU 84 -13.762 2.229 10.451 579 HG2 GLU 84 1HG GLU 84 -14.697 0.064 8.552 580 HG3 GLU 84 2HG GLU 84 -15.706 0.485 9.922 581 H GLU 85 H GLU 85 -10.806 0.346 11.109 582 HA GLU 85 HA GLU 85 -9.916 2.650 12.111 583 HB2 GLU 85 1HB GLU 85 -9.204 -0.050 12.305 584 HB3 GLU 85 2HB GLU 85 -7.711 0.716 11.799 585 HG2 GLU 85 1HG GLU 85 -9.232 2.137 13.952 586 HG3 GLU 85 2HG GLU 85 -8.545 0.590 14.405 587 H ALA 86 H ALA 86 -8.146 0.810 9.509 588 HA ALA 86 HA ALA 86 -6.179 2.560 8.959 589 HB1 ALA 86 1HB ALA 86 -7.368 0.317 7.747 590 HB2 ALA 86 2HB ALA 86 -7.376 1.576 6.489 591 HB3 ALA 86 3HB ALA 86 -5.847 1.109 7.271 592 H ASN 87 H ASN 87 -9.410 2.587 7.278 593 HA ASN 87 HA ASN 87 -9.093 4.800 5.827 594 HB2 ASN 87 1HB ASN 87 -11.179 3.217 6.188 595 HB3 ASN 87 2HB ASN 87 -11.667 4.381 7.404 596 HD21 ASN 87 1HD2 ASN 87 -12.618 3.551 4.630 597 HD22 ASN 87 2HD2 ASN 87 -12.872 5.036 3.776 598 H GLN 88 H GLN 88 -9.762 4.510 9.345 599 HA GLN 88 HA GLN 88 -10.324 7.243 9.710 600 HB2 GLN 88 1HB GLN 88 -10.317 4.836 11.286 601 HB3 GLN 88 2HB GLN 88 -9.362 6.030 12.142 602 HG2 GLN 88 1HG GLN 88 -11.396 6.757 12.911 603 HG3 GLN 88 2HG GLN 88 -11.470 7.600 11.376 604 HE21 GLN 88 1HE2 GLN 88 -12.157 6.058 9.498 605 HE22 GLN 88 2HE2 GLN 88 -13.595 5.134 9.779 606 H LEU 89 H LEU 89 -7.389 5.201 9.811 607 HA LEU 89 HA LEU 89 -5.706 6.982 11.117 608 HB2 LEU 89 1HB LEU 89 -5.065 4.946 8.978 609 HB3 LEU 89 2HB LEU 89 -3.899 5.713 10.038 610 HG LEU 89 HG LEU 89 -5.987 3.652 10.695 611 HD11 LEU 89 1HD1 LEU 89 -3.001 3.905 11.039 612 HD12 LEU 89 2HD1 LEU 89 -3.957 2.697 11.929 613 HD13 LEU 89 3HD1 LEU 89 -3.929 2.674 10.150 614 HD21 LEU 89 1HD2 LEU 89 -5.299 4.051 13.139 615 HD22 LEU 89 2HD2 LEU 89 -4.782 5.663 12.588 616 HD23 LEU 89 3HD2 LEU 89 -6.480 5.162 12.406 617 H LEU 90 H LEU 90 -7.201 7.117 7.968 618 HA LEU 90 HA LEU 90 -5.219 8.886 6.870 619 HB2 LEU 90 1HB LEU 90 -7.915 7.917 5.927 620 HB3 LEU 90 2HB LEU 90 -6.954 9.081 5.037 621 HG LEU 90 HG LEU 90 -6.385 6.171 5.561 622 HD11 LEU 90 1HD1 LEU 90 -7.055 7.869 3.244 623 HD12 LEU 90 2HD1 LEU 90 -5.762 6.679 2.962 624 HD13 LEU 90 3HD1 LEU 90 -7.358 6.140 3.537 625 HD21 LEU 90 1HD2 LEU 90 -4.135 6.622 4.437 626 HD22 LEU 90 2HD2 LEU 90 -4.384 8.327 4.885 627 HD23 LEU 90 3HD2 LEU 90 -4.301 7.077 6.150 628 H ARG 91 H ARG 91 -8.634 9.133 8.068 629 HA ARG 91 HA ARG 91 -8.870 11.827 7.652 630 HB2 ARG 91 1HB ARG 91 -10.117 10.093 9.844 631 HB3 ARG 91 2HB ARG 91 -10.680 11.698 9.422 632 HG2 ARG 91 1HG ARG 91 -10.535 10.305 6.953 633 HG3 ARG 91 2HG ARG 91 -11.205 9.147 8.084 634 HD2 ARG 91 1HD ARG 91 -12.900 10.899 8.798 635 HD3 ARG 91 2HD ARG 91 -12.272 11.962 7.554 636 HE ARG 91 HE ARG 91 -12.831 9.631 6.163 637 HH11 ARG 91 2HH2 ARG 91 -14.706 11.711 8.294 638 HH12 ARG 91 1HH2 ARG 91 -16.216 11.352 7.526 639 HH21 ARG 91 2HH1 ARG 91 -14.823 9.157 5.149 640 HH22 ARG 91 1HH1 ARG 91 -16.283 9.890 5.724 641 H ASP 92 H ASP 92 -6.859 10.106 9.867 642 HA ASP 92 HA ASP 92 -6.843 12.208 11.818 643 HB2 ASP 92 1HB ASP 92 -6.523 9.608 12.168 644 HB3 ASP 92 2HB ASP 92 -4.868 9.907 11.674 645 H SER 93 H SER 93 -4.526 10.536 9.550 646 HA SER 93 HA SER 93 -2.338 12.046 9.970 647 HB2 SER 93 1HB SER 93 -3.417 10.433 7.730 648 HB3 SER 93 2HB SER 93 -2.253 11.641 7.222 649 HG SER 93 HG SER 93 -1.427 10.292 9.516 650 H SER 94 H SER 94 -5.249 12.819 8.017 651 HA SER 94 HA SER 94 -4.432 14.866 6.524 652 HB2 SER 94 1HB SER 94 -6.989 14.798 8.188 653 HB3 SER 94 2HB SER 94 -6.731 15.808 6.780 654 HG SER 94 HG SER 94 -7.346 13.081 6.938 655 H ILE 95 H ILE 95 -4.775 14.784 10.063 656 HA ILE 95 HA ILE 95 -4.869 17.487 10.609 657 HB ILE 95 HB ILE 95 -3.840 15.079 12.062 658 HG12 ILE 95 1HG1 ILE 95 -5.970 16.925 13.060 659 HG13 ILE 95 2HG1 ILE 95 -6.346 15.909 11.683 660 HG21 ILE 95 1HG2 ILE 95 -3.404 17.951 12.794 661 HG22 ILE 95 2HG2 ILE 95 -3.751 16.764 14.073 662 HG23 ILE 95 3HG2 ILE 95 -2.341 16.540 13.010 663 HD11 ILE 95 1HD1 ILE 95 -5.020 14.700 14.126 664 HD12 ILE 95 2HD1 ILE 95 -6.778 14.979 14.099 665 HD13 ILE 95 3HD1 ILE 95 -6.029 13.905 12.893 666 H THR 96 H THR 96 -1.895 15.390 10.640 667 HA THR 96 HA THR 96 -0.190 17.669 10.596 668 HB THR 96 HB THR 96 0.405 15.501 11.670 669 HG1 THR 96 1HG THR 96 1.900 16.063 9.207 670 HG21 THR 96 1HG2 THR 96 -0.709 13.997 9.932 671 HG22 THR 96 2HG2 THR 96 0.593 14.442 8.803 672 HG23 THR 96 3HG2 THR 96 0.975 13.551 10.296 673 H SER 97 H SER 97 -2.179 16.373 8.221 674 HA SER 97 HA SER 97 -2.299 16.606 6.068 675 HB2 SER 97 1HB SER 97 -0.524 18.897 6.832 676 HB3 SER 97 2HB SER 97 -0.605 18.513 5.124 677 HG SER 97 HG SER 97 -3.059 18.672 6.579 678 H LYS 98 H LYS 98 -0.447 14.620 7.166 679 HA LYS 98 HA LYS 98 1.010 14.078 4.761 680 HB2 LYS 98 1HB LYS 98 2.387 15.587 6.599 681 HB3 LYS 98 2HB LYS 98 2.843 13.962 7.067 682 HG2 LYS 98 1HG LYS 98 3.757 13.463 4.918 683 HG3 LYS 98 2HG LYS 98 2.900 14.780 4.143 684 HD2 LYS 98 1HD LYS 98 4.382 16.162 6.020 685 HD3 LYS 98 2HD LYS 98 5.459 14.825 5.672 686 HE2 LYS 98 1HE LYS 98 4.769 15.454 3.122 687 HE3 LYS 98 2HE LYS 98 4.511 17.025 3.854 688 HZ1 LYS 98 1HZ LYS 98 6.936 15.739 3.273 689 HZ2 LYS 98 2HZ LYS 98 6.680 17.286 3.731 690 HZ3 LYS 98 3HZ LYS 98 6.884 16.123 4.860 691 H VAL 99 H VAL 99 0.674 11.959 4.377 692 HA VAL 99 HA VAL 99 0.209 10.263 6.732 693 HB VAL 99 HB VAL 99 -1.783 10.542 5.414 694 HG11 VAL 99 1HG1 VAL 99 -0.746 11.231 3.295 695 HG12 VAL 99 2HG1 VAL 99 -0.162 9.569 3.036 696 HG13 VAL 99 3HG1 VAL 99 -1.910 9.907 3.047 697 HG21 VAL 99 1HG2 VAL 99 -2.365 8.276 5.102 698 HG22 VAL 99 2HG2 VAL 99 -0.701 7.818 4.669 699 HG23 VAL 99 3HG2 VAL 99 -1.094 8.256 6.348 700 H THR 100 H THR 100 1.181 8.168 6.764 701 HA THR 100 HA THR 100 3.299 7.823 4.745 702 HB THR 100 HB THR 100 3.348 7.510 7.786 703 HG1 THR 100 1HG THR 100 4.601 9.328 7.484 704 HG21 THR 100 1HG2 THR 100 4.554 5.606 6.424 705 HG22 THR 100 2HG2 THR 100 5.661 6.898 5.903 706 HG23 THR 100 3HG2 THR 100 5.507 6.501 7.631 707 H LEU 101 H LEU 101 2.537 6.275 3.414 708 HA LEU 101 HA LEU 101 1.195 4.001 4.665 709 HB2 LEU 101 1HB LEU 101 1.367 4.867 1.775 710 HB3 LEU 101 2HB LEU 101 0.506 3.458 2.361 711 HG LEU 101 HG LEU 101 -0.136 6.278 3.255 712 HD11 LEU 101 1HD1 LEU 101 -1.181 4.699 0.907 713 HD12 LEU 101 2HD1 LEU 101 -2.132 5.990 1.680 714 HD13 LEU 101 3HD1 LEU 101 -0.552 6.364 0.950 715 HD21 LEU 101 1HD2 LEU 101 -0.827 4.327 4.703 716 HD22 LEU 101 2HD2 LEU 101 -2.144 5.386 4.146 717 HD23 LEU 101 3HD2 LEU 101 -1.879 3.809 3.363 718 H GLU 102 H GLU 102 2.354 2.213 5.113 719 HA GLU 102 HA GLU 102 4.942 1.989 3.860 720 HB2 GLU 102 1HB GLU 102 4.697 1.748 6.341 721 HB3 GLU 102 2HB GLU 102 3.683 0.340 6.097 722 HG2 GLU 102 1HG GLU 102 5.484 -1.008 5.775 723 HG3 GLU 102 2HG GLU 102 6.154 0.066 4.563 724 H ILE 103 H ILE 103 4.962 0.986 1.887 725 HA ILE 103 HA ILE 103 3.097 -1.238 1.504 726 HB ILE 103 HB ILE 103 4.676 0.254 -0.587 727 HG12 ILE 103 1HG1 ILE 103 3.096 1.696 0.834 728 HG13 ILE 103 2HG1 ILE 103 2.933 1.764 -0.909 729 HG21 ILE 103 1HG2 ILE 103 3.996 -1.601 -1.700 730 HG22 ILE 103 2HG2 ILE 103 2.629 -1.902 -0.601 731 HG23 ILE 103 3HG2 ILE 103 2.500 -0.648 -1.857 732 HD11 ILE 103 1HD1 ILE 103 1.287 -0.405 0.066 733 HD12 ILE 103 2HD1 ILE 103 0.934 1.061 1.013 734 HD13 ILE 103 3HD1 ILE 103 0.781 1.088 -0.760 735 H GLU 104 H GLU 104 4.023 -3.065 0.065 736 HA GLU 104 HA GLU 104 6.844 -3.441 0.586 737 HB2 GLU 104 1HB GLU 104 6.059 -4.608 2.469 738 HB3 GLU 104 2HB GLU 104 4.604 -5.155 1.660 739 HG2 GLU 104 1HG GLU 104 5.678 -6.934 0.607 740 HG3 GLU 104 2HG GLU 104 7.213 -6.094 0.504 741 H PHE 105 H PHE 105 7.830 -4.117 -1.271 742 HA PHE 105 HA PHE 105 6.148 -5.569 -3.191 743 HB2 PHE 105 1HB PHE 105 7.805 -4.366 -4.851 744 HB3 PHE 105 2HB PHE 105 6.548 -3.383 -4.127 745 HD1 PHE 105 1HD PHE 105 7.198 -2.128 -1.935 746 HD2 PHE 105 2HD PHE 105 10.021 -3.690 -4.691 747 HE1 PHE 105 1HE PHE 105 8.941 -0.559 -1.039 748 HE2 PHE 105 2HE PHE 105 11.764 -2.121 -3.795 749 HZ PHE 105 HZ PHE 105 11.203 -0.575 -1.979 750 H ASP 106 H ASP 106 7.789 -6.557 -4.987 751 HA ASP 106 HA ASP 106 9.677 -8.070 -3.382 752 HB2 ASP 106 1HB ASP 106 9.632 -9.620 -5.439 753 HB3 ASP 106 2HB ASP 106 8.163 -9.542 -4.487 754 H VAL 107 H VAL 107 11.796 -8.667 -4.550 755 HA VAL 107 HA VAL 107 12.552 -6.567 -6.463 756 HB VAL 107 HB VAL 107 14.390 -7.760 -4.394 757 HG11 VAL 107 1HG1 VAL 107 15.306 -6.606 -6.451 758 HG12 VAL 107 2HG1 VAL 107 14.560 -5.106 -5.849 759 HG13 VAL 107 3HG1 VAL 107 15.824 -5.918 -4.893 760 HG21 VAL 107 1HG2 VAL 107 12.315 -5.661 -4.066 761 HG22 VAL 107 2HG2 VAL 107 13.067 -6.736 -2.862 762 HG23 VAL 107 3HG2 VAL 107 13.927 -5.278 -3.414 763 H ALA 108 H ALA 108 13.990 -7.202 -8.144 764 HA ALA 108 HA ALA 108 13.720 -9.954 -8.856 765 HB1 ALA 108 1HB ALA 108 14.064 -7.517 -10.177 766 HB2 ALA 108 2HB ALA 108 15.612 -8.360 -10.427 767 HB3 ALA 108 3HB ALA 108 14.087 -9.132 -10.924 768 H GLU 109 H GLU 109 15.390 -11.522 -9.078 769 HA GLU 109 HA GLU 109 17.812 -10.795 -7.621 770 HB2 GLU 109 1HB GLU 109 16.128 -13.314 -7.523 771 HB3 GLU 109 2HB GLU 109 17.826 -13.371 -7.092 772 HG2 GLU 109 1HG GLU 109 16.819 -11.097 -5.731 773 HG3 GLU 109 2HG GLU 109 15.562 -12.307 -5.562 774 H SER 110 H SER 110 19.685 -12.447 -8.173 775 HA SER 110 HA SER 110 19.597 -12.783 -11.067 776 HB2 SER 110 1HB SER 110 21.929 -12.263 -9.176 777 HB3 SER 110 2HB SER 110 22.151 -12.710 -10.856 778 HG SER 110 HG SER 110 20.378 -10.705 -10.891 779 H VAL 111 H VAL 111 19.304 -14.902 -11.651 780 HA VAL 111 HA VAL 111 21.041 -16.906 -10.678 781 HB VAL 111 HB VAL 111 19.516 -16.689 -8.741 782 HG11 VAL 111 1HG1 VAL 111 17.175 -17.707 -9.103 783 HG12 VAL 111 2HG1 VAL 111 17.442 -16.025 -9.622 784 HG13 VAL 111 3HG1 VAL 111 17.427 -17.336 -10.826 785 HG21 VAL 111 1HG2 VAL 111 20.022 -19.134 -10.289 786 HG22 VAL 111 2HG2 VAL 111 20.260 -18.800 -8.557 787 HG23 VAL 111 3HG2 VAL 111 18.655 -19.278 -9.159 788 H ILE 112 H ILE 112 20.930 -18.797 -11.996 789 HA ILE 112 HA ILE 112 19.011 -18.556 -14.207 790 HB ILE 112 HB ILE 112 21.935 -19.298 -14.295 791 HG12 ILE 112 1HG1 ILE 112 21.737 -17.386 -16.106 792 HG13 ILE 112 2HG1 ILE 112 20.326 -16.923 -15.175 793 HG21 ILE 112 1HG2 ILE 112 21.732 -19.989 -16.502 794 HG22 ILE 112 2HG2 ILE 112 20.305 -20.713 -15.723 795 HG23 ILE 112 3HG2 ILE 112 20.132 -19.236 -16.702 796 HD11 ILE 112 1HD1 ILE 112 22.377 -17.486 -13.269 797 HD12 ILE 112 2HD1 ILE 112 23.121 -16.499 -14.550 798 HD13 ILE 112 3HD1 ILE 112 21.685 -15.899 -13.686 799 HA PRO 113 HA PRO 113 17.949 -22.594 -13.091 800 HB2 PRO 113 1HB PRO 113 16.521 -23.336 -15.300 801 HB3 PRO 113 2HB PRO 113 15.849 -22.362 -14.007 802 HG2 PRO 113 1HG PRO 113 16.707 -21.520 -16.708 803 HG3 PRO 113 2HG PRO 113 15.664 -20.682 -15.577 804 HD2 PRO 113 1HD PRO 113 18.412 -20.086 -16.141 805 HD3 PRO 113 2HD PRO 113 17.402 -19.325 -14.928 806 H SER 114 H SER 114 17.867 -24.958 -14.002 807 HA SER 114 HA SER 114 20.284 -25.208 -15.612 808 HB2 SER 114 1HB SER 114 19.829 -26.118 -12.900 809 HB3 SER 114 2HB SER 114 20.031 -27.518 -13.935 810 HG SER 114 HG SER 114 21.919 -25.703 -13.066 811 H SER 115 H SER 115 20.382 -27.259 -16.891 812 HA SER 115 HA SER 115 17.689 -28.039 -17.613 813 HB2 SER 115 1HB SER 115 19.106 -27.242 -19.441 814 HB3 SER 115 2HB SER 115 20.371 -28.380 -19.021 815 HG SER 115 HG SER 115 17.955 -28.799 -20.420 816 H GLY 116 H GLY 116 16.893 -30.081 -17.167 817 HA2 GLY 116 1HA GLY 116 18.556 -31.870 -15.616 818 HA3 GLY 116 2HA GLY 116 16.848 -32.027 -15.972 819 H SER 117 H SER 117 17.050 -34.259 -16.573 820 HA SER 117 HA SER 117 18.915 -35.052 -18.513 821 HB2 SER 117 1HB SER 117 17.972 -37.201 -18.288 822 HB3 SER 117 2HB SER 117 17.686 -36.474 -16.720 823 HG SER 117 HG SER 117 15.521 -35.782 -17.819 824 H GLY 118 H GLY 118 18.770 -35.041 -20.749 825 HA2 GLY 118 1HA GLY 118 16.529 -35.355 -22.296 826 HA3 GLY 118 2HA GLY 118 16.599 -33.634 -21.972 827 HA PRO 119 HA PRO 119 19.379 -34.459 -25.477 828 HB2 PRO 119 1HB PRO 119 18.212 -32.784 -27.294 829 HB3 PRO 119 2HB PRO 119 17.848 -34.495 -27.197 830 HG2 PRO 119 1HG PRO 119 16.217 -32.200 -26.297 831 HG3 PRO 119 2HG PRO 119 15.715 -33.851 -26.601 832 HD2 PRO 119 1HD PRO 119 16.152 -32.633 -24.041 833 HD3 PRO 119 2HD PRO 119 15.763 -34.314 -24.349 834 H SER 120 H SER 120 20.321 -33.217 -23.396 835 HA SER 120 HA SER 120 21.379 -30.824 -24.648 836 HB2 SER 120 1HB SER 120 21.149 -29.526 -22.587 837 HB3 SER 120 2HB SER 120 19.573 -30.108 -23.087 838 HG SER 120 HG SER 120 19.404 -31.033 -21.174 839 H SER 121 H SER 121 23.595 -30.939 -24.635 840 HA SER 121 HA SER 121 25.610 -31.622 -24.195 841 HB2 SER 121 1HB SER 121 24.704 -31.669 -21.282 842 HB3 SER 121 2HB SER 121 26.363 -31.568 -21.838 843 HG SER 121 HG SER 121 25.657 -29.463 -21.336 844 H GLY 122 H GLY 122 25.541 -33.683 -25.235 845 HA2 GLY 122 1HA GLY 122 26.015 -35.923 -23.560 846 HA3 GLY 122 2HA GLY 122 24.398 -36.000 -24.233 Start of MODEL 18 1 H1 GLY 1 H GLY 1 2.264 -25.142 -2.802 2 HA2 GLY 1 1HA GLY 1 3.116 -24.997 -5.602 3 HA3 GLY 1 2HA GLY 1 3.628 -23.718 -4.518 4 H SER 2 H SER 2 4.882 -24.312 -2.539 5 HA SER 2 HA SER 2 5.788 -26.908 -2.158 6 HB2 SER 2 1HB SER 2 6.971 -26.213 -4.373 7 HB3 SER 2 2HB SER 2 7.940 -25.143 -3.379 8 HG SER 2 HG SER 2 8.110 -27.893 -3.691 9 H SER 3 H SER 3 7.719 -26.893 -0.528 10 HA SER 3 HA SER 3 7.322 -24.567 1.160 11 HB2 SER 3 1HB SER 3 7.744 -27.449 1.619 12 HB3 SER 3 2HB SER 3 8.785 -26.458 2.622 13 HG SER 3 HG SER 3 7.076 -25.660 3.713 14 H GLY 4 H GLY 4 9.973 -26.878 0.198 15 HA2 GLY 4 1HA GLY 4 11.858 -25.580 -0.920 16 HA3 GLY 4 2HA GLY 4 11.907 -24.683 0.585 17 H SER 5 H SER 5 12.678 -27.714 -1.037 18 HA SER 5 HA SER 5 13.515 -28.920 1.439 19 HB2 SER 5 1HB SER 5 12.898 -29.829 -1.295 20 HB3 SER 5 2HB SER 5 14.362 -30.565 -0.672 21 HG SER 5 HG SER 5 11.904 -30.480 0.848 22 H SER 6 H SER 6 15.263 -27.488 2.045 23 HA SER 6 HA SER 6 17.727 -28.261 1.041 24 HB2 SER 6 1HB SER 6 18.499 -26.183 -0.027 25 HB3 SER 6 2HB SER 6 17.128 -26.841 -0.897 26 HG SER 6 HG SER 6 16.762 -24.859 1.164 27 H GLY 7 H GLY 7 19.544 -26.857 2.088 28 HA2 GLY 7 1HA GLY 7 18.732 -26.280 4.805 29 HA3 GLY 7 2HA GLY 7 20.359 -26.325 4.154 30 H ALA 8 H ALA 8 20.562 -24.504 2.200 31 HA ALA 8 HA ALA 8 20.425 -22.050 3.596 32 HB1 ALA 8 1HB ALA 8 20.934 -22.558 0.639 33 HB2 ALA 8 2HB ALA 8 21.443 -21.144 1.592 34 HB3 ALA 8 3HB ALA 8 22.165 -22.739 1.912 35 H GLY 9 H GLY 9 18.968 -22.900 0.374 36 HA2 GLY 9 1HA GLY 9 16.743 -22.667 -0.220 37 HA3 GLY 9 2HA GLY 9 16.427 -21.747 1.238 38 H GLN 10 H GLN 10 17.143 -21.596 -2.143 39 HA GLN 10 HA GLN 10 17.962 -18.832 -1.965 40 HB2 GLN 10 1HB GLN 10 17.604 -20.557 -4.452 41 HB3 GLN 10 2HB GLN 10 18.436 -19.018 -4.359 42 HG2 GLN 10 1HG GLN 10 20.309 -19.922 -3.317 43 HG3 GLN 10 2HG GLN 10 19.387 -21.153 -2.477 44 HE21 GLN 10 1HE2 GLN 10 20.539 -22.901 -3.047 45 HE22 GLN 10 2HE2 GLN 10 20.701 -23.514 -4.659 46 H VAL 11 H VAL 11 16.608 -17.109 -2.377 47 HA VAL 11 HA VAL 11 14.288 -17.415 -3.999 48 HB VAL 11 HB VAL 11 13.585 -18.484 -1.860 49 HG11 VAL 11 1HG1 VAL 11 14.472 -15.846 -0.790 50 HG12 VAL 11 2HG1 VAL 11 12.995 -16.552 -0.092 51 HG13 VAL 11 3HG1 VAL 11 14.523 -17.464 -0.049 52 HG21 VAL 11 1HG2 VAL 11 12.010 -15.941 -2.201 53 HG22 VAL 11 2HG2 VAL 11 12.099 -17.127 -3.526 54 HG23 VAL 11 3HG2 VAL 11 11.435 -17.606 -1.945 55 H VAL 12 H VAL 12 12.971 -15.239 -3.875 56 HA VAL 12 HA VAL 12 14.965 -13.155 -4.034 57 HB VAL 12 HB VAL 12 13.200 -13.616 -5.763 58 HG11 VAL 12 1HG1 VAL 12 11.424 -12.630 -3.527 59 HG12 VAL 12 2HG1 VAL 12 10.960 -12.451 -5.236 60 HG13 VAL 12 3HG1 VAL 12 11.238 -14.071 -4.554 61 HG21 VAL 12 1HG2 VAL 12 12.713 -10.811 -4.922 62 HG22 VAL 12 2HG2 VAL 12 14.419 -11.298 -5.073 63 HG23 VAL 12 3HG2 VAL 12 13.320 -11.463 -6.463 64 H HIS 13 H HIS 13 14.450 -10.954 -3.072 65 HA HIS 13 HA HIS 13 13.282 -11.372 -0.417 66 HB2 HIS 13 1HB HIS 13 14.808 -9.683 0.414 67 HB3 HIS 13 2HB HIS 13 15.693 -10.983 -0.358 68 HD1 HIS 13 1HD HIS 13 16.531 -10.435 -2.919 69 HD2 HIS 13 2HD HIS 13 15.403 -7.172 -0.536 70 HE1 HIS 13 1HE HIS 13 17.527 -8.363 -4.026 71 H THR 14 H THR 14 12.389 -9.251 0.563 72 HA THR 14 HA THR 14 11.218 -7.573 -1.546 73 HB THR 14 HB THR 14 9.125 -7.740 0.127 74 HG1 THR 14 1HG THR 14 10.554 -10.294 0.320 75 HG21 THR 14 1HG2 THR 14 9.131 -8.596 -2.261 76 HG22 THR 14 2HG2 THR 14 9.875 -10.102 -1.675 77 HG23 THR 14 3HG2 THR 14 8.234 -9.656 -1.148 78 H GLU 15 H GLU 15 11.143 -5.415 -1.127 79 HA GLU 15 HA GLU 15 12.091 -4.684 1.535 80 HB2 GLU 15 1HB GLU 15 12.591 -3.260 -1.117 81 HB3 GLU 15 2HB GLU 15 13.124 -2.678 0.448 82 HG2 GLU 15 1HG GLU 15 14.348 -4.938 0.725 83 HG3 GLU 15 2HG GLU 15 14.002 -5.232 -0.968 84 H THR 16 H THR 16 11.166 -2.762 2.512 85 HA THR 16 HA THR 16 8.526 -2.133 1.386 86 HB THR 16 HB THR 16 8.573 -1.173 3.979 87 HG1 THR 16 1HG THR 16 10.281 -2.197 4.940 88 HG21 THR 16 1HG2 THR 16 6.852 -2.760 3.207 89 HG22 THR 16 2HG2 THR 16 8.070 -4.048 3.049 90 HG23 THR 16 3HG2 THR 16 7.631 -3.431 4.660 91 H THR 17 H THR 17 7.826 -0.021 1.063 92 HA THR 17 HA THR 17 9.985 1.981 1.207 93 HB THR 17 HB THR 17 9.371 1.161 -1.124 94 HG1 THR 17 1HG THR 17 10.134 3.349 -0.737 95 HG21 THR 17 1HG2 THR 17 6.998 0.778 -1.072 96 HG22 THR 17 2HG2 THR 17 6.691 2.325 -0.247 97 HG23 THR 17 3HG2 THR 17 7.180 2.311 -1.959 98 H GLU 18 H GLU 18 9.509 4.035 1.963 99 HA GLU 18 HA GLU 18 6.894 4.171 3.243 100 HB2 GLU 18 1HB GLU 18 8.346 4.363 5.030 101 HB3 GLU 18 2HB GLU 18 9.641 5.031 4.056 102 HG2 GLU 18 1HG GLU 18 8.715 7.228 4.098 103 HG3 GLU 18 2HG GLU 18 7.121 6.652 4.545 104 H VAL 19 H VAL 19 5.456 5.508 2.246 105 HA VAL 19 HA VAL 19 6.565 7.690 0.634 106 HB VAL 19 HB VAL 19 4.988 5.771 -0.218 107 HG11 VAL 19 1HG1 VAL 19 3.310 6.476 1.672 108 HG12 VAL 19 2HG1 VAL 19 2.832 7.737 0.510 109 HG13 VAL 19 3HG1 VAL 19 2.702 6.019 0.063 110 HG21 VAL 19 1HG2 VAL 19 5.808 8.074 -1.268 111 HG22 VAL 19 2HG2 VAL 19 4.572 7.068 -2.062 112 HG23 VAL 19 3HG2 VAL 19 4.084 8.483 -1.099 113 H VAL 20 H VAL 20 5.593 9.820 0.786 114 HA VAL 20 HA VAL 20 4.112 10.213 3.292 115 HB VAL 20 HB VAL 20 6.508 10.801 3.507 116 HG11 VAL 20 1HG1 VAL 20 6.250 11.809 0.937 117 HG12 VAL 20 2HG1 VAL 20 6.337 13.273 1.947 118 HG13 VAL 20 3HG1 VAL 20 7.634 12.056 2.029 119 HG21 VAL 20 1HG2 VAL 20 5.067 13.420 3.595 120 HG22 VAL 20 2HG2 VAL 20 4.410 12.068 4.549 121 HG23 VAL 20 3HG2 VAL 20 6.078 12.625 4.826 122 H LEU 21 H LEU 21 2.069 10.629 2.563 123 HA LEU 21 HA LEU 21 1.827 12.389 0.239 124 HB2 LEU 21 1HB LEU 21 -0.263 10.662 1.569 125 HB3 LEU 21 2HB LEU 21 -0.445 11.567 0.079 126 HG LEU 21 HG LEU 21 1.578 9.342 0.415 127 HD11 LEU 21 1HD1 LEU 21 -1.235 9.075 0.371 128 HD12 LEU 21 2HD1 LEU 21 -0.644 8.580 -1.234 129 HD13 LEU 21 3HD1 LEU 21 -0.002 7.799 0.231 130 HD21 LEU 21 1HD2 LEU 21 2.261 9.848 -1.633 131 HD22 LEU 21 2HD2 LEU 21 0.598 9.764 -2.261 132 HD23 LEU 21 3HD2 LEU 21 1.218 11.290 -1.585 133 H THR 22 H THR 22 1.253 14.484 0.489 134 HA THR 22 HA THR 22 0.497 15.330 3.182 135 HB THR 22 HB THR 22 1.153 17.084 0.776 136 HG1 THR 22 1HG THR 22 2.824 15.640 2.710 137 HG21 THR 22 1HG2 THR 22 0.407 17.975 3.147 138 HG22 THR 22 2HG2 THR 22 2.013 17.418 3.675 139 HG23 THR 22 3HG2 THR 22 1.874 18.662 2.409 140 H ALA 23 H ALA 23 -1.617 15.200 3.638 141 HA ALA 23 HA ALA 23 -3.703 14.932 2.009 142 HB1 ALA 23 1HB ALA 23 -3.672 16.777 4.430 143 HB2 ALA 23 2HB ALA 23 -5.065 15.876 3.784 144 HB3 ALA 23 3HB ALA 23 -3.702 14.999 4.520 145 H ASP 24 H ASP 24 -3.965 15.939 0.055 146 HA ASP 24 HA ASP 24 -3.077 18.313 -0.718 147 HB2 ASP 24 1HB ASP 24 -4.978 16.428 -1.642 148 HB3 ASP 24 2HB ASP 24 -5.839 17.954 -1.658 149 HA PRO 25 HA PRO 25 -5.524 21.378 1.246 150 HB2 PRO 25 1HB PRO 25 -5.783 23.333 -0.645 151 HB3 PRO 25 2HB PRO 25 -4.330 23.109 0.308 152 HG2 PRO 25 1HG PRO 25 -4.816 22.411 -2.523 153 HG3 PRO 25 2HG PRO 25 -3.288 22.592 -1.684 154 HD2 PRO 25 1HD PRO 25 -4.568 20.129 -2.407 155 HD3 PRO 25 2HD PRO 25 -3.100 20.311 -1.466 156 H VAL 26 H VAL 26 -6.856 19.301 -0.701 157 HA VAL 26 HA VAL 26 -9.489 20.459 -0.235 158 HB VAL 26 HB VAL 26 -10.082 19.569 -2.579 159 HG11 VAL 26 1HG1 VAL 26 -9.318 21.766 -3.621 160 HG12 VAL 26 2HG1 VAL 26 -10.285 21.890 -2.132 161 HG13 VAL 26 3HG1 VAL 26 -8.520 22.113 -2.069 162 HG21 VAL 26 1HG2 VAL 26 -7.638 20.290 -3.824 163 HG22 VAL 26 2HG2 VAL 26 -7.243 19.100 -2.560 164 HG23 VAL 26 3HG2 VAL 26 -8.441 18.701 -3.815 165 H THR 27 H THR 27 -8.427 17.621 -2.190 166 HA THR 27 HA THR 27 -10.182 15.890 -0.827 167 HB THR 27 HB THR 27 -8.923 14.166 -2.200 168 HG1 THR 27 1HG THR 27 -7.079 15.002 -3.335 169 HG21 THR 27 1HG2 THR 27 -9.001 15.774 -4.429 170 HG22 THR 27 2HG2 THR 27 -10.449 15.014 -3.726 171 HG23 THR 27 3HG2 THR 27 -10.048 16.702 -3.330 172 H GLY 28 H GLY 28 -6.572 15.597 -0.925 173 HA2 GLY 28 1HA GLY 28 -5.614 15.805 1.430 174 HA3 GLY 28 2HA GLY 28 -6.736 14.515 1.814 175 H PHE 29 H PHE 29 -6.350 12.370 1.093 176 HA PHE 29 HA PHE 29 -3.692 12.015 -0.098 177 HB2 PHE 29 1HB PHE 29 -5.407 10.037 1.508 178 HB3 PHE 29 2HB PHE 29 -3.692 9.897 1.174 179 HD1 PHE 29 2HD PHE 29 -2.188 11.806 2.150 180 HD2 PHE 29 1HD PHE 29 -6.097 10.916 3.539 181 HE1 PHE 29 2HE PHE 29 -1.671 12.938 4.329 182 HE2 PHE 29 1HE PHE 29 -5.581 12.048 5.719 183 HZ PHE 29 HZ PHE 29 -3.374 13.046 6.088 184 H GLY 30 H GLY 30 -7.148 11.442 -0.407 185 HA2 GLY 30 1HA GLY 30 -8.384 10.330 -1.925 186 HA3 GLY 30 2HA GLY 30 -7.124 10.771 -3.060 187 H ILE 31 H ILE 31 -7.860 8.338 -0.467 188 HA ILE 31 HA ILE 31 -6.871 6.276 -2.256 189 HB ILE 31 HB ILE 31 -5.841 6.490 0.569 190 HG12 ILE 31 1HG1 ILE 31 -4.578 7.418 -2.019 191 HG13 ILE 31 2HG1 ILE 31 -4.908 8.366 -0.582 192 HG21 ILE 31 1HG2 ILE 31 -4.665 4.838 -1.649 193 HG22 ILE 31 2HG2 ILE 31 -4.533 4.634 0.114 194 HG23 ILE 31 3HG2 ILE 31 -6.059 4.243 -0.715 195 HD11 ILE 31 1HD1 ILE 31 -3.335 6.764 0.686 196 HD12 ILE 31 2HD1 ILE 31 -2.852 6.146 -0.912 197 HD13 ILE 31 3HD1 ILE 31 -2.568 7.852 -0.495 198 H GLN 32 H GLN 32 -7.881 4.263 -1.929 199 HA GLN 32 HA GLN 32 -9.885 4.293 0.188 200 HB2 GLN 32 1HB GLN 32 -10.219 3.930 -2.739 201 HB3 GLN 32 2HB GLN 32 -11.028 2.710 -1.775 202 HG2 GLN 32 1HG GLN 32 -11.669 5.028 -0.388 203 HG3 GLN 32 2HG GLN 32 -11.622 5.612 -2.039 204 HE21 GLN 32 1HE2 GLN 32 -13.947 5.909 -1.335 205 HE22 GLN 32 2HE2 GLN 32 -15.065 4.644 -1.722 206 H LEU 33 H LEU 33 -10.333 2.244 1.190 207 HA LEU 33 HA LEU 33 -8.272 0.241 0.598 208 HB2 LEU 33 1HB LEU 33 -9.832 0.529 3.159 209 HB3 LEU 33 2HB LEU 33 -8.394 -0.430 2.868 210 HG LEU 33 HG LEU 33 -8.429 2.594 2.724 211 HD11 LEU 33 1HD1 LEU 33 -7.651 0.841 5.071 212 HD12 LEU 33 2HD1 LEU 33 -7.456 2.607 4.967 213 HD13 LEU 33 3HD1 LEU 33 -9.085 1.891 4.971 214 HD21 LEU 33 1HD2 LEU 33 -5.933 1.191 3.379 215 HD22 LEU 33 2HD2 LEU 33 -6.567 0.832 1.755 216 HD23 LEU 33 3HD2 LEU 33 -6.247 2.517 2.233 217 H GLN 34 H GLN 34 -8.924 -2.059 0.808 218 HA GLN 34 HA GLN 34 -11.725 -2.333 0.037 219 HB2 GLN 34 1HB GLN 34 -11.054 -4.267 -1.326 220 HB3 GLN 34 2HB GLN 34 -10.144 -2.847 -1.802 221 HG2 GLN 34 1HG GLN 34 -8.138 -3.663 -0.951 222 HG3 GLN 34 2HG GLN 34 -8.918 -4.551 0.343 223 HE21 GLN 34 1HE2 GLN 34 -9.436 -6.636 0.103 224 HE22 GLN 34 2HE2 GLN 34 -9.163 -7.586 -1.320 225 H GLY 35 H GLY 35 -12.479 -4.778 0.431 226 HA2 GLY 35 1HA GLY 35 -11.528 -5.553 3.126 227 HA3 GLY 35 2HA GLY 35 -13.215 -5.559 2.650 228 H SER 36 H SER 36 -12.222 -7.914 3.623 229 HA SER 36 HA SER 36 -11.831 -9.472 1.187 230 HB2 SER 36 1HB SER 36 -10.954 -11.114 3.246 231 HB3 SER 36 2HB SER 36 -9.921 -10.182 2.181 232 HG SER 36 HG SER 36 -11.028 -9.089 4.619 233 H VAL 37 H VAL 37 -13.575 -10.753 0.705 234 HA VAL 37 HA VAL 37 -15.854 -10.881 2.194 235 HB VAL 37 HB VAL 37 -15.805 -11.469 -0.113 236 HG11 VAL 37 1HG1 VAL 37 -14.451 -14.096 0.282 237 HG12 VAL 37 2HG1 VAL 37 -14.447 -12.999 -1.120 238 HG13 VAL 37 3HG1 VAL 37 -13.425 -12.641 0.293 239 HG21 VAL 37 1HG2 VAL 37 -16.511 -13.900 1.566 240 HG22 VAL 37 2HG2 VAL 37 -17.575 -12.524 1.187 241 HG23 VAL 37 3HG2 VAL 37 -17.036 -13.616 -0.111 242 H PHE 38 H PHE 38 -13.148 -13.299 2.099 243 HA PHE 38 HA PHE 38 -14.298 -14.486 4.513 244 HB2 PHE 38 1HB PHE 38 -12.967 -15.386 2.067 245 HB3 PHE 38 2HB PHE 38 -11.977 -15.862 3.433 246 HD1 PHE 38 1HD PHE 38 -15.669 -15.748 2.835 247 HD2 PHE 38 2HD PHE 38 -12.303 -18.074 3.960 248 HE1 PHE 38 1HE PHE 38 -17.167 -17.723 3.231 249 HE2 PHE 38 2HE PHE 38 -13.801 -20.049 4.356 250 HZ PHE 38 HZ PHE 38 -16.215 -19.850 3.987 251 H ALA 39 H ALA 39 -12.872 -15.033 6.321 252 HA ALA 39 HA ALA 39 -10.199 -14.249 6.434 253 HB1 ALA 39 1HB ALA 39 -10.359 -12.208 7.781 254 HB2 ALA 39 2HB ALA 39 -11.161 -11.965 6.211 255 HB3 ALA 39 3HB ALA 39 -12.135 -12.251 7.674 256 H THR 40 H THR 40 -10.102 -13.513 9.216 257 HA THR 40 HA THR 40 -11.509 -15.760 10.486 258 HB THR 40 HB THR 40 -8.542 -15.101 10.401 259 HG1 THR 40 1HG THR 40 -8.679 -17.120 9.484 260 HG21 THR 40 1HG2 THR 40 -9.346 -15.309 12.854 261 HG22 THR 40 2HG2 THR 40 -9.869 -16.958 12.434 262 HG23 THR 40 3HG2 THR 40 -8.148 -16.516 12.328 263 H GLU 41 H GLU 41 -9.209 -13.145 11.493 264 HA GLU 41 HA GLU 41 -11.236 -12.437 13.463 265 HB2 GLU 41 1HB GLU 41 -8.918 -13.240 14.229 266 HB3 GLU 41 2HB GLU 41 -8.272 -11.751 13.569 267 HG2 GLU 41 1HG GLU 41 -9.189 -10.442 15.239 268 HG3 GLU 41 2HG GLU 41 -10.644 -11.413 15.353 269 H THR 42 H THR 42 -8.933 -11.193 10.997 270 HA THR 42 HA THR 42 -10.447 -8.666 11.033 271 HB THR 42 HB THR 42 -8.179 -8.399 12.047 272 HG1 THR 42 1HG THR 42 -9.048 -6.706 10.665 273 HG21 THR 42 1HG2 THR 42 -6.720 -8.687 9.512 274 HG22 THR 42 2HG2 THR 42 -6.293 -9.310 11.124 275 HG23 THR 42 3HG2 THR 42 -7.366 -10.252 10.062 276 H LEU 43 H LEU 43 -8.356 -8.111 8.696 277 HA LEU 43 HA LEU 43 -10.198 -9.111 6.688 278 HB2 LEU 43 1HB LEU 43 -7.841 -7.322 6.188 279 HB3 LEU 43 2HB LEU 43 -9.320 -7.484 5.263 280 HG LEU 43 HG LEU 43 -9.197 -6.307 8.051 281 HD11 LEU 43 1HD1 LEU 43 -9.346 -4.112 7.018 282 HD12 LEU 43 2HD1 LEU 43 -7.876 -4.958 6.477 283 HD13 LEU 43 3HD1 LEU 43 -9.287 -4.846 5.397 284 HD21 LEU 43 1HD2 LEU 43 -11.394 -6.127 5.975 285 HD22 LEU 43 2HD2 LEU 43 -11.378 -7.281 7.331 286 HD23 LEU 43 3HD2 LEU 43 -11.430 -5.531 7.652 287 H SER 44 H SER 44 -8.054 -10.717 8.302 288 HA SER 44 HA SER 44 -6.420 -12.140 7.925 289 HB2 SER 44 1HB SER 44 -8.736 -12.782 6.286 290 HB3 SER 44 2HB SER 44 -7.287 -13.392 5.513 291 HG SER 44 HG SER 44 -6.730 -14.421 7.587 292 H SER 45 H SER 45 -5.919 -9.497 6.709 293 HA SER 45 HA SER 45 -3.624 -9.957 5.410 294 HB2 SER 45 1HB SER 45 -5.875 -10.447 3.621 295 HB3 SER 45 2HB SER 45 -4.919 -9.104 3.026 296 HG SER 45 HG SER 45 -4.147 -11.831 3.447 297 HA PRO 46 HA PRO 46 -3.669 -5.602 5.516 298 HB2 PRO 46 1HB PRO 46 -1.990 -4.808 3.511 299 HB3 PRO 46 2HB PRO 46 -1.421 -5.421 5.051 300 HG2 PRO 46 1HG PRO 46 -1.470 -6.772 2.422 301 HG3 PRO 46 2HG PRO 46 -0.541 -7.183 3.850 302 HD2 PRO 46 1HD PRO 46 -2.906 -8.501 2.903 303 HD3 PRO 46 2HD PRO 46 -2.044 -8.837 4.391 304 HA PRO 47 HA PRO 47 -6.591 -3.892 2.959 305 HB2 PRO 47 1HB PRO 47 -6.379 -1.230 3.542 306 HB3 PRO 47 2HB PRO 47 -7.253 -2.365 4.551 307 HG2 PRO 47 1HG PRO 47 -4.607 -1.131 5.014 308 HG3 PRO 47 2HG PRO 47 -5.671 -1.911 6.167 309 HD2 PRO 47 1HD PRO 47 -3.294 -3.017 5.004 310 HD3 PRO 47 2HD PRO 47 -4.420 -3.837 6.066 311 H LEU 48 H LEU 48 -6.393 -4.115 0.822 312 HA LEU 48 HA LEU 48 -4.134 -2.817 -0.409 313 HB2 LEU 48 1HB LEU 48 -6.324 -4.285 -1.844 314 HB3 LEU 48 2HB LEU 48 -4.650 -4.064 -2.314 315 HG LEU 48 HG LEU 48 -5.151 -5.578 0.204 316 HD11 LEU 48 1HD1 LEU 48 -6.825 -6.679 -0.968 317 HD12 LEU 48 2HD1 LEU 48 -5.974 -6.541 -2.524 318 HD13 LEU 48 3HD1 LEU 48 -5.389 -7.680 -1.288 319 HD21 LEU 48 1HD2 LEU 48 -3.153 -5.620 -2.045 320 HD22 LEU 48 2HD2 LEU 48 -2.891 -5.386 -0.300 321 HD23 LEU 48 3HD2 LEU 48 -3.309 -6.998 -0.929 322 H ILE 49 H ILE 49 -4.193 -1.063 -1.834 323 HA ILE 49 HA ILE 49 -6.178 0.836 -1.349 324 HB ILE 49 HB ILE 49 -3.921 0.558 -3.297 325 HG12 ILE 49 1HG1 ILE 49 -4.507 2.525 -1.065 326 HG13 ILE 49 2HG1 ILE 49 -3.458 1.127 -0.940 327 HG21 ILE 49 1HG2 ILE 49 -4.744 3.175 -3.582 328 HG22 ILE 49 2HG2 ILE 49 -4.967 1.868 -4.770 329 HG23 ILE 49 3HG2 ILE 49 -6.273 2.265 -3.629 330 HD11 ILE 49 1HD1 ILE 49 -1.966 2.912 -1.403 331 HD12 ILE 49 2HD1 ILE 49 -2.185 2.131 -2.987 332 HD13 ILE 49 3HD1 ILE 49 -3.061 3.633 -2.607 333 H SER 50 H SER 50 -8.292 0.459 -1.831 334 HA SER 50 HA SER 50 -9.066 -1.163 -3.956 335 HB2 SER 50 1HB SER 50 -10.632 -0.964 -2.205 336 HB3 SER 50 2HB SER 50 -10.473 0.779 -2.117 337 HG SER 50 HG SER 50 -12.307 -0.651 -3.486 338 H TYR 51 H TYR 51 -9.213 2.446 -3.492 339 HA TYR 51 HA TYR 51 -8.876 2.737 -6.376 340 HB2 TYR 51 1HB TYR 51 -11.343 2.767 -5.804 341 HB3 TYR 51 2HB TYR 51 -11.044 3.962 -4.558 342 HD1 TYR 51 1HD TYR 51 -10.666 3.460 -8.252 343 HD2 TYR 51 2HD TYR 51 -11.285 6.233 -5.053 344 HE1 TYR 51 1HE TYR 51 -11.058 5.325 -9.935 345 HE2 TYR 51 2HE TYR 51 -11.675 8.088 -6.747 346 HH TYR 51 HH TYR 51 -11.263 7.486 -10.207 347 H ILE 52 H ILE 52 -8.045 4.833 -7.007 348 HA ILE 52 HA ILE 52 -6.951 6.322 -4.721 349 HB ILE 52 HB ILE 52 -5.706 5.633 -7.378 350 HG12 ILE 52 1HG1 ILE 52 -4.405 5.220 -4.715 351 HG13 ILE 52 2HG1 ILE 52 -5.691 4.126 -5.186 352 HG21 ILE 52 1HG2 ILE 52 -3.879 7.084 -6.893 353 HG22 ILE 52 2HG2 ILE 52 -5.372 8.045 -6.763 354 HG23 ILE 52 3HG2 ILE 52 -4.541 7.488 -5.291 355 HD11 ILE 52 1HD1 ILE 52 -2.963 4.469 -6.357 356 HD12 ILE 52 2HD1 ILE 52 -3.957 3.001 -6.198 357 HD13 ILE 52 3HD1 ILE 52 -4.278 4.155 -7.515 358 H GLU 53 H GLU 53 -8.132 8.149 -4.495 359 HA GLU 53 HA GLU 53 -9.778 9.207 -6.360 360 HB2 GLU 53 1HB GLU 53 -9.053 9.819 -3.765 361 HB3 GLU 53 2HB GLU 53 -8.451 11.222 -4.625 362 HG2 GLU 53 1HG GLU 53 -10.999 10.760 -5.757 363 HG3 GLU 53 2HG GLU 53 -11.226 10.447 -4.048 364 H ALA 54 H ALA 54 -9.656 11.062 -7.811 365 HA ALA 54 HA ALA 54 -7.095 11.196 -9.122 366 HB1 ALA 54 1HB ALA 54 -8.816 11.087 -10.669 367 HB2 ALA 54 2HB ALA 54 -9.920 12.065 -9.672 368 HB3 ALA 54 3HB ALA 54 -8.594 12.850 -10.563 369 H ASP 55 H ASP 55 -6.413 13.526 -9.905 370 HA ASP 55 HA ASP 55 -5.368 15.322 -9.235 371 HB2 ASP 55 1HB ASP 55 -8.071 15.826 -9.288 372 HB3 ASP 55 2HB ASP 55 -7.699 16.322 -7.649 373 H SER 56 H SER 56 -5.335 12.989 -7.322 374 HA SER 56 HA SER 56 -5.129 14.448 -4.809 375 HB2 SER 56 1HB SER 56 -5.730 12.514 -3.669 376 HB3 SER 56 2HB SER 56 -6.630 12.293 -5.156 377 HG SER 56 HG SER 56 -5.309 10.676 -5.788 378 HA PRO 57 HA PRO 57 -0.856 13.621 -4.724 379 HB2 PRO 57 1HB PRO 57 -0.306 13.161 -2.087 380 HB3 PRO 57 2HB PRO 57 -0.547 14.765 -2.750 381 HG2 PRO 57 1HG PRO 57 -2.384 13.152 -1.088 382 HG3 PRO 57 2HG PRO 57 -2.413 14.876 -1.399 383 HD2 PRO 57 1HD PRO 57 -4.119 12.891 -2.572 384 HD3 PRO 57 2HD PRO 57 -4.071 14.597 -2.968 385 H ALA 58 H ALA 58 -2.969 11.166 -3.725 386 HA ALA 58 HA ALA 58 -0.947 9.182 -3.397 387 HB1 ALA 58 1HB ALA 58 -3.965 9.222 -3.610 388 HB2 ALA 58 2HB ALA 58 -3.068 7.685 -3.603 389 HB3 ALA 58 3HB ALA 58 -2.945 8.793 -2.216 390 H GLU 59 H GLU 59 -2.982 10.440 -6.057 391 HA GLU 59 HA GLU 59 -2.158 8.315 -7.783 392 HB2 GLU 59 1HB GLU 59 -4.432 9.385 -7.904 393 HB3 GLU 59 2HB GLU 59 -3.680 10.879 -8.426 394 HG2 GLU 59 1HG GLU 59 -4.339 9.819 -10.453 395 HG3 GLU 59 2HG GLU 59 -2.617 9.512 -10.349 396 H ARG 60 H ARG 60 -1.032 11.475 -6.810 397 HA ARG 60 HA ARG 60 0.292 12.134 -9.175 398 HB2 ARG 60 1HB ARG 60 0.324 13.052 -6.315 399 HB3 ARG 60 2HB ARG 60 1.743 13.454 -7.261 400 HG2 ARG 60 1HG ARG 60 -0.001 14.276 -9.072 401 HG3 ARG 60 2HG ARG 60 -1.137 14.282 -7.737 402 HD2 ARG 60 1HD ARG 60 1.510 15.600 -7.218 403 HD3 ARG 60 2HD ARG 60 0.455 16.415 -8.355 404 HE ARG 60 HE ARG 60 -1.132 15.689 -6.109 405 HH11 ARG 60 2HH2 ARG 60 1.559 17.825 -6.866 406 HH12 ARG 60 1HH2 ARG 60 1.163 18.972 -5.630 407 HH21 ARG 60 2HH1 ARG 60 -1.655 17.201 -4.478 408 HH22 ARG 60 1HH1 ARG 60 -0.677 18.614 -4.262 409 H CYS 61 H CYS 61 1.313 10.522 -6.093 410 HA CYS 61 HA CYS 61 3.995 10.292 -6.663 411 HB2 CYS 61 1HB CYS 61 2.384 9.574 -4.573 412 HB3 CYS 61 2HB CYS 61 2.785 8.000 -5.230 413 HG CYS 61 HG CYS 61 5.404 9.508 -5.554 414 H GLY 62 H GLY 62 1.158 8.246 -7.552 415 HA2 GLY 62 1HA GLY 62 0.923 6.913 -9.387 416 HA3 GLY 62 2HA GLY 62 2.601 7.178 -9.815 417 H VAL 63 H VAL 63 4.025 6.354 -7.572 418 HA VAL 63 HA VAL 63 4.336 3.711 -7.875 419 HB VAL 63 HB VAL 63 5.415 3.700 -5.717 420 HG11 VAL 63 1HG1 VAL 63 5.924 6.488 -6.724 421 HG12 VAL 63 2HG1 VAL 63 7.079 5.243 -6.190 422 HG13 VAL 63 3HG1 VAL 63 6.271 5.090 -7.769 423 HG21 VAL 63 1HG2 VAL 63 5.271 5.684 -4.208 424 HG22 VAL 63 2HG2 VAL 63 3.947 6.311 -5.220 425 HG23 VAL 63 3HG2 VAL 63 3.745 4.776 -4.341 426 H LEU 64 H LEU 64 1.770 5.367 -6.051 427 HA LEU 64 HA LEU 64 0.894 3.004 -4.723 428 HB2 LEU 64 1HB LEU 64 -0.598 5.585 -5.196 429 HB3 LEU 64 2HB LEU 64 -0.959 4.358 -3.998 430 HG LEU 64 HG LEU 64 1.650 5.886 -4.010 431 HD11 LEU 64 1HD1 LEU 64 -0.165 6.781 -1.960 432 HD12 LEU 64 2HD1 LEU 64 0.692 7.717 -3.208 433 HD13 LEU 64 3HD1 LEU 64 -0.897 7.000 -3.568 434 HD21 LEU 64 1HD2 LEU 64 2.192 4.712 -2.200 435 HD22 LEU 64 2HD2 LEU 64 0.601 4.987 -1.450 436 HD23 LEU 64 3HD2 LEU 64 0.825 3.641 -2.593 437 H GLN 65 H GLN 65 0.233 1.285 -5.919 438 HA GLN 65 HA GLN 65 -1.436 1.900 -8.223 439 HB2 GLN 65 1HB GLN 65 0.127 -0.625 -7.525 440 HB3 GLN 65 2HB GLN 65 -0.887 -0.451 -8.943 441 HG2 GLN 65 1HG GLN 65 0.629 1.778 -9.261 442 HG3 GLN 65 2HG GLN 65 1.769 0.820 -8.338 443 HE21 GLN 65 1HE2 GLN 65 3.209 0.139 -9.749 444 HE22 GLN 65 2HE2 GLN 65 2.894 -0.730 -11.214 445 H ILE 66 H ILE 66 -3.479 0.840 -8.502 446 HA ILE 66 HA ILE 66 -4.917 0.433 -6.159 447 HB ILE 66 HB ILE 66 -5.498 -0.382 -9.007 448 HG12 ILE 66 1HG1 ILE 66 -5.079 2.051 -8.583 449 HG13 ILE 66 2HG1 ILE 66 -6.668 1.677 -9.219 450 HG21 ILE 66 1HG2 ILE 66 -7.133 -1.601 -8.061 451 HG22 ILE 66 2HG2 ILE 66 -7.025 -0.744 -6.505 452 HG23 ILE 66 3HG2 ILE 66 -7.930 -0.023 -7.858 453 HD11 ILE 66 1HD1 ILE 66 -7.271 3.099 -7.484 454 HD12 ILE 66 2HD1 ILE 66 -7.308 1.546 -6.615 455 HD13 ILE 66 3HD1 ILE 66 -5.892 2.614 -6.468 456 H GLY 67 H GLY 67 -5.090 -1.256 -4.781 457 HA2 GLY 67 1HA GLY 67 -5.269 -3.471 -4.188 458 HA3 GLY 67 2HA GLY 67 -4.693 -3.964 -5.768 459 H ASP 68 H ASP 68 -3.041 -1.466 -3.813 460 HA ASP 68 HA ASP 68 -0.625 -2.872 -4.018 461 HB2 ASP 68 1HB ASP 68 0.321 -1.022 -2.761 462 HB3 ASP 68 2HB ASP 68 -0.862 -0.367 -3.875 463 H ARG 69 H ARG 69 0.734 -2.923 -1.696 464 HA ARG 69 HA ARG 69 -1.041 -4.269 0.180 465 HB2 ARG 69 1HB ARG 69 1.280 -5.518 0.739 466 HB3 ARG 69 2HB ARG 69 0.217 -6.096 -0.529 467 HG2 ARG 69 1HG ARG 69 2.368 -4.041 -1.147 468 HG3 ARG 69 2HG ARG 69 2.767 -5.746 -1.068 469 HD2 ARG 69 1HD ARG 69 0.573 -5.911 -2.671 470 HD3 ARG 69 2HD ARG 69 1.073 -4.281 -3.074 471 HE ARG 69 HE ARG 69 2.540 -6.766 -3.671 472 HH11 ARG 69 2HH2 ARG 69 2.688 -3.257 -3.465 473 HH12 ARG 69 1HH2 ARG 69 4.065 -3.126 -4.508 474 HH21 ARG 69 2HH1 ARG 69 4.356 -6.594 -5.047 475 HH22 ARG 69 1HH1 ARG 69 5.020 -5.037 -5.414 476 H VAL 70 H VAL 70 -1.167 -2.052 1.188 477 HA VAL 70 HA VAL 70 1.215 -0.870 2.198 478 HB VAL 70 HB VAL 70 -0.612 0.528 1.644 479 HG11 VAL 70 1HG1 VAL 70 -2.572 -0.671 1.671 480 HG12 VAL 70 2HG1 VAL 70 -2.221 -1.428 3.243 481 HG13 VAL 70 3HG1 VAL 70 -2.764 0.266 3.172 482 HG21 VAL 70 1HG2 VAL 70 -0.261 1.907 3.370 483 HG22 VAL 70 2HG2 VAL 70 -1.132 0.835 4.493 484 HG23 VAL 70 3HG2 VAL 70 0.597 0.564 4.164 485 H MET 71 H MET 71 2.400 -1.653 3.855 486 HA MET 71 HA MET 71 1.175 -3.547 5.618 487 HB2 MET 71 1HB MET 71 3.978 -2.418 5.956 488 HB3 MET 71 2HB MET 71 3.423 -4.052 6.259 489 HG2 MET 71 1HG MET 71 2.925 -4.004 3.612 490 HG3 MET 71 2HG MET 71 4.146 -2.748 3.633 491 HE1 MET 71 1HE MET 71 4.496 -6.133 6.218 492 HE2 MET 71 2HE MET 71 3.101 -5.933 5.131 493 HE3 MET 71 3HE MET 71 4.381 -7.102 4.729 494 H ALA 72 H ALA 72 1.845 -0.123 5.538 495 HA ALA 72 HA ALA 72 0.749 0.141 8.190 496 HB1 ALA 72 1HB ALA 72 3.452 -0.096 8.101 497 HB2 ALA 72 2HB ALA 72 3.289 1.654 7.820 498 HB3 ALA 72 3HB ALA 72 2.597 0.920 9.286 499 H ILE 73 H ILE 73 0.046 2.367 8.608 500 HA ILE 73 HA ILE 73 -0.053 3.945 6.131 501 HB ILE 73 HB ILE 73 -2.188 3.198 8.086 502 HG12 ILE 73 1HG1 ILE 73 -2.180 3.480 5.067 503 HG13 ILE 73 2HG1 ILE 73 -1.889 1.983 5.931 504 HG21 ILE 73 1HG2 ILE 73 -2.387 5.528 8.273 505 HG22 ILE 73 2HG2 ILE 73 -2.014 5.791 6.553 506 HG23 ILE 73 3HG2 ILE 73 -3.571 5.068 7.026 507 HD11 ILE 73 1HD1 ILE 73 -4.434 3.387 5.418 508 HD12 ILE 73 2HD1 ILE 73 -4.143 1.679 5.826 509 HD13 ILE 73 3HD1 ILE 73 -4.238 2.900 7.118 510 H ASN 74 H ASN 74 1.279 3.696 9.176 511 HA ASN 74 HA ASN 74 2.338 6.179 9.180 512 HB2 ASN 74 1HB ASN 74 1.035 7.240 11.141 513 HB3 ASN 74 2HB ASN 74 0.218 7.254 9.590 514 HD21 ASN 74 1HD2 ASN 74 -1.853 7.139 10.109 515 HD22 ASN 74 2HD2 ASN 74 -2.612 5.892 11.041 516 H GLY 75 H GLY 75 3.076 3.491 9.760 517 HA2 GLY 75 1HA GLY 75 4.620 2.677 11.283 518 HA3 GLY 75 2HA GLY 75 4.013 3.766 12.514 519 H ILE 76 H ILE 76 1.145 3.149 12.075 520 HA ILE 76 HA ILE 76 0.939 0.981 13.839 521 HB ILE 76 HB ILE 76 -1.078 2.429 12.128 522 HG12 ILE 76 1HG1 ILE 76 0.185 3.650 13.979 523 HG13 ILE 76 2HG1 ILE 76 -1.566 3.723 14.016 524 HG21 ILE 76 1HG2 ILE 76 -1.747 0.599 14.433 525 HG22 ILE 76 2HG2 ILE 76 -2.838 1.328 13.231 526 HG23 ILE 76 3HG2 ILE 76 -1.713 0.037 12.745 527 HD11 ILE 76 1HD1 ILE 76 -0.230 3.147 16.224 528 HD12 ILE 76 2HD1 ILE 76 -1.736 2.272 15.856 529 HD13 ILE 76 3HD1 ILE 76 -0.161 1.511 15.527 530 HA PRO 77 HA PRO 77 1.097 -2.323 11.051 531 HB2 PRO 77 1HB PRO 77 0.189 -4.327 12.673 532 HB3 PRO 77 2HB PRO 77 1.845 -3.753 12.693 533 HG2 PRO 77 1HG PRO 77 -0.316 -3.248 14.646 534 HG3 PRO 77 2HG PRO 77 1.414 -3.054 14.849 535 HD2 PRO 77 1HD PRO 77 -0.508 -0.967 14.427 536 HD3 PRO 77 2HD PRO 77 1.233 -0.787 14.514 537 H THR 78 H THR 78 -0.304 -1.678 9.423 538 HA THR 78 HA THR 78 -3.102 -1.904 9.833 539 HB THR 78 HB THR 78 -2.945 -1.685 7.206 540 HG1 THR 78 1HG THR 78 -0.696 -0.982 6.691 541 HG21 THR 78 1HG2 THR 78 -2.843 0.613 7.448 542 HG22 THR 78 2HG2 THR 78 -2.892 0.237 9.187 543 HG23 THR 78 3HG2 THR 78 -1.331 0.537 8.385 544 H GLU 79 H GLU 79 -3.047 -4.098 10.858 545 HA GLU 79 HA GLU 79 -4.073 -5.923 9.075 546 HB2 GLU 79 1HB GLU 79 -1.246 -5.933 8.987 547 HB3 GLU 79 2HB GLU 79 -1.662 -7.323 9.969 548 HG2 GLU 79 1HG GLU 79 -3.419 -7.862 8.094 549 HG3 GLU 79 2HG GLU 79 -2.516 -6.723 7.115 550 H ASP 80 H ASP 80 -5.306 -5.196 11.209 551 HA ASP 80 HA ASP 80 -5.480 -7.460 12.785 552 HB2 ASP 80 1HB ASP 80 -3.330 -6.424 13.723 553 HB3 ASP 80 2HB ASP 80 -4.294 -5.058 14.248 554 H SER 81 H SER 81 -5.803 -3.877 12.517 555 HA SER 81 HA SER 81 -8.136 -3.817 14.133 556 HB2 SER 81 1HB SER 81 -7.239 -1.630 12.225 557 HB3 SER 81 2HB SER 81 -8.144 -1.456 13.715 558 HG SER 81 HG SER 81 -6.211 -1.041 14.556 559 H THR 82 H THR 82 -9.881 -2.099 12.724 560 HA THR 82 HA THR 82 -10.752 -3.875 10.546 561 HB THR 82 HB THR 82 -12.984 -3.348 11.218 562 HG1 THR 82 1HG THR 82 -11.678 -1.224 12.769 563 HG21 THR 82 1HG2 THR 82 -13.100 -3.616 13.651 564 HG22 THR 82 2HG2 THR 82 -11.758 -4.626 13.062 565 HG23 THR 82 3HG2 THR 82 -11.420 -3.058 13.834 566 H PHE 83 H PHE 83 -11.673 -2.945 8.624 567 HA PHE 83 HA PHE 83 -10.174 -1.171 7.342 568 HB2 PHE 83 1HB PHE 83 -12.010 -2.365 6.259 569 HB3 PHE 83 2HB PHE 83 -13.193 -1.690 7.362 570 HD1 PHE 83 2HD PHE 83 -13.539 0.889 7.235 571 HD2 PHE 83 1HD PHE 83 -11.714 -1.403 4.165 572 HE1 PHE 83 2HE PHE 83 -14.050 2.703 5.577 573 HE2 PHE 83 1HE PHE 83 -12.225 0.411 2.507 574 HZ PHE 83 HZ PHE 83 -13.387 2.442 3.233 575 H GLU 84 H GLU 84 -12.742 -0.382 9.710 576 HA GLU 84 HA GLU 84 -12.955 2.302 9.098 577 HB2 GLU 84 1HB GLU 84 -13.584 0.567 11.462 578 HB3 GLU 84 2HB GLU 84 -13.537 2.295 11.748 579 HG2 GLU 84 1HG GLU 84 -14.970 1.972 9.308 580 HG3 GLU 84 2HG GLU 84 -15.573 0.716 10.372 581 H GLU 85 H GLU 85 -10.865 0.579 11.512 582 HA GLU 85 HA GLU 85 -9.715 2.713 12.685 583 HB2 GLU 85 1HB GLU 85 -9.152 -0.102 12.392 584 HB3 GLU 85 2HB GLU 85 -7.641 0.773 12.242 585 HG2 GLU 85 1HG GLU 85 -9.306 1.850 14.419 586 HG3 GLU 85 2HG GLU 85 -8.980 0.143 14.640 587 H ALA 86 H ALA 86 -8.357 0.948 9.800 588 HA ALA 86 HA ALA 86 -6.286 2.698 9.306 589 HB1 ALA 86 1HB ALA 86 -7.121 0.359 8.265 590 HB2 ALA 86 2HB ALA 86 -7.714 1.452 6.991 591 HB3 ALA 86 3HB ALA 86 -5.985 1.432 7.413 592 H ASN 87 H ASN 87 -9.619 2.662 7.852 593 HA ASN 87 HA ASN 87 -9.387 4.785 6.237 594 HB2 ASN 87 1HB ASN 87 -11.462 3.215 7.033 595 HB3 ASN 87 2HB ASN 87 -11.876 4.656 7.941 596 HD21 ASN 87 1HD2 ASN 87 -11.526 3.201 4.819 597 HD22 ASN 87 2HD2 ASN 87 -12.257 4.448 3.865 598 H GLN 88 H GLN 88 -9.891 4.694 9.804 599 HA GLN 88 HA GLN 88 -10.440 7.406 10.106 600 HB2 GLN 88 1HB GLN 88 -10.497 5.213 11.744 601 HB3 GLN 88 2HB GLN 88 -9.041 5.990 12.334 602 HG2 GLN 88 1HG GLN 88 -11.062 6.770 13.566 603 HG3 GLN 88 2HG GLN 88 -10.259 8.090 12.740 604 HE21 GLN 88 1HE2 GLN 88 -12.415 5.504 11.587 605 HE22 GLN 88 2HE2 GLN 88 -13.639 6.523 10.906 606 H LEU 89 H LEU 89 -7.387 5.486 10.191 607 HA LEU 89 HA LEU 89 -5.627 7.288 11.149 608 HB2 LEU 89 1HB LEU 89 -5.254 5.442 8.787 609 HB3 LEU 89 2HB LEU 89 -3.958 6.215 9.678 610 HG LEU 89 HG LEU 89 -5.872 4.093 10.666 611 HD11 LEU 89 1HD1 LEU 89 -2.924 4.193 10.068 612 HD12 LEU 89 2HD1 LEU 89 -3.597 2.994 11.198 613 HD13 LEU 89 3HD1 LEU 89 -4.154 3.035 9.508 614 HD21 LEU 89 1HD2 LEU 89 -4.162 6.000 12.213 615 HD22 LEU 89 2HD2 LEU 89 -5.770 5.335 12.589 616 HD23 LEU 89 3HD2 LEU 89 -4.320 4.321 12.783 617 H LEU 90 H LEU 90 -7.027 7.188 7.825 618 HA LEU 90 HA LEU 90 -5.500 9.395 6.923 619 HB2 LEU 90 1HB LEU 90 -7.944 7.962 5.903 620 HB3 LEU 90 2HB LEU 90 -7.291 9.373 5.094 621 HG LEU 90 HG LEU 90 -6.029 6.656 5.441 622 HD11 LEU 90 1HD1 LEU 90 -7.245 8.189 3.254 623 HD12 LEU 90 2HD1 LEU 90 -5.670 7.466 2.845 624 HD13 LEU 90 3HD1 LEU 90 -6.996 6.436 3.437 625 HD21 LEU 90 1HD2 LEU 90 -4.089 7.910 4.114 626 HD22 LEU 90 2HD2 LEU 90 -4.674 9.285 5.082 627 HD23 LEU 90 3HD2 LEU 90 -4.117 7.800 5.891 628 H ARG 91 H ARG 91 -8.738 8.969 8.422 629 HA ARG 91 HA ARG 91 -9.611 11.543 7.976 630 HB2 ARG 91 1HB ARG 91 -10.252 9.412 10.040 631 HB3 ARG 91 2HB ARG 91 -10.981 10.998 10.195 632 HG2 ARG 91 1HG ARG 91 -11.338 10.383 7.475 633 HG3 ARG 91 2HG ARG 91 -11.583 8.842 8.273 634 HD2 ARG 91 1HD ARG 91 -13.715 9.582 8.645 635 HD3 ARG 91 2HD ARG 91 -13.012 10.532 9.938 636 HE ARG 91 HE ARG 91 -12.735 11.967 7.464 637 HH11 ARG 91 2HH2 ARG 91 -15.184 11.013 9.804 638 HH12 ARG 91 1HH2 ARG 91 -16.223 12.354 9.455 639 HH21 ARG 91 2HH1 ARG 91 -14.106 13.737 7.003 640 HH22 ARG 91 1HH1 ARG 91 -15.606 13.914 7.851 641 H ASP 92 H ASP 92 -7.444 10.123 10.428 642 HA ASP 92 HA ASP 92 -7.520 12.494 12.026 643 HB2 ASP 92 1HB ASP 92 -7.240 10.244 13.052 644 HB3 ASP 92 2HB ASP 92 -5.761 9.999 12.144 645 H SER 93 H SER 93 -5.248 10.677 9.857 646 HA SER 93 HA SER 93 -2.991 12.064 10.137 647 HB2 SER 93 1HB SER 93 -4.270 11.064 7.557 648 HB3 SER 93 2HB SER 93 -2.606 11.605 7.653 649 HG SER 93 HG SER 93 -2.567 9.939 9.568 650 H SER 94 H SER 94 -5.967 13.089 8.417 651 HA SER 94 HA SER 94 -5.109 15.139 6.941 652 HB2 SER 94 1HB SER 94 -7.316 15.996 7.036 653 HB3 SER 94 2HB SER 94 -7.509 14.287 7.370 654 HG SER 94 HG SER 94 -7.544 16.477 9.253 655 H ILE 95 H ILE 95 -5.218 14.921 10.482 656 HA ILE 95 HA ILE 95 -5.095 17.636 11.088 657 HB ILE 95 HB ILE 95 -4.322 15.100 12.475 658 HG12 ILE 95 1HG1 ILE 95 -6.259 17.256 13.331 659 HG13 ILE 95 2HG1 ILE 95 -6.715 15.986 12.213 660 HG21 ILE 95 1HG2 ILE 95 -3.638 17.902 13.357 661 HG22 ILE 95 2HG2 ILE 95 -3.892 16.580 14.521 662 HG23 ILE 95 3HG2 ILE 95 -2.600 16.457 13.302 663 HD11 ILE 95 1HD1 ILE 95 -5.765 15.677 15.089 664 HD12 ILE 95 2HD1 ILE 95 -7.328 15.189 14.391 665 HD13 ILE 95 3HD1 ILE 95 -5.846 14.303 13.959 666 H THR 96 H THR 96 -2.333 15.269 11.143 667 HA THR 96 HA THR 96 -0.438 17.398 11.005 668 HB THR 96 HB THR 96 -0.131 15.175 12.192 669 HG1 THR 96 1HG THR 96 1.715 16.439 11.508 670 HG21 THR 96 1HG2 THR 96 0.475 14.076 9.415 671 HG22 THR 96 2HG2 THR 96 0.342 13.184 10.949 672 HG23 THR 96 3HG2 THR 96 -1.120 13.829 10.166 673 H SER 97 H SER 97 -2.517 16.141 8.692 674 HA SER 97 HA SER 97 -2.545 16.096 6.516 675 HB2 SER 97 1HB SER 97 -1.001 18.557 7.203 676 HB3 SER 97 2HB SER 97 -0.910 18.060 5.525 677 HG SER 97 HG SER 97 -3.432 18.275 6.916 678 H LYS 98 H LYS 98 -0.593 14.316 7.783 679 HA LYS 98 HA LYS 98 1.030 13.814 5.452 680 HB2 LYS 98 1HB LYS 98 2.244 15.400 7.210 681 HB3 LYS 98 2HB LYS 98 2.543 13.883 8.034 682 HG2 LYS 98 1HG LYS 98 3.808 12.996 6.236 683 HG3 LYS 98 2HG LYS 98 3.090 14.080 5.061 684 HD2 LYS 98 1HD LYS 98 4.364 15.728 7.039 685 HD3 LYS 98 2HD LYS 98 5.498 14.454 6.635 686 HE2 LYS 98 1HE LYS 98 6.020 15.604 4.749 687 HE3 LYS 98 2HE LYS 98 4.417 15.243 4.141 688 HZ1 LYS 98 1HZ LYS 98 5.324 17.691 4.631 689 HZ2 LYS 98 2HZ LYS 98 3.739 17.302 4.571 690 HZ3 LYS 98 3HZ LYS 98 4.501 17.404 6.012 691 H VAL 99 H VAL 99 1.221 11.635 5.100 692 HA VAL 99 HA VAL 99 0.640 9.883 7.372 693 HB VAL 99 HB VAL 99 -1.439 10.220 6.148 694 HG11 VAL 99 1HG1 VAL 99 0.260 9.491 3.769 695 HG12 VAL 99 2HG1 VAL 99 -1.490 9.163 3.764 696 HG13 VAL 99 3HG1 VAL 99 -0.897 10.829 3.968 697 HG21 VAL 99 1HG2 VAL 99 -1.351 8.095 7.110 698 HG22 VAL 99 2HG2 VAL 99 -1.757 7.749 5.412 699 HG23 VAL 99 3HG2 VAL 99 -0.088 7.528 5.991 700 H THR 100 H THR 100 1.588 7.756 7.183 701 HA THR 100 HA THR 100 3.688 7.649 5.116 702 HB THR 100 HB THR 100 3.823 6.406 7.900 703 HG1 THR 100 1HG THR 100 4.685 9.016 6.864 704 HG21 THR 100 1HG2 THR 100 6.221 7.604 6.652 705 HG22 THR 100 2HG2 THR 100 6.017 5.988 7.368 706 HG23 THR 100 3HG2 THR 100 5.540 6.279 5.678 707 H LEU 101 H LEU 101 3.019 6.303 3.553 708 HA LEU 101 HA LEU 101 1.549 3.920 4.392 709 HB2 LEU 101 1HB LEU 101 1.947 5.063 1.625 710 HB3 LEU 101 2HB LEU 101 0.898 3.732 2.069 711 HG LEU 101 HG LEU 101 -0.557 5.528 1.817 712 HD11 LEU 101 1HD1 LEU 101 -0.182 5.974 4.736 713 HD12 LEU 101 2HD1 LEU 101 -1.648 5.578 3.807 714 HD13 LEU 101 3HD1 LEU 101 -0.465 4.304 4.188 715 HD21 LEU 101 1HD2 LEU 101 1.256 7.247 1.681 716 HD22 LEU 101 2HD2 LEU 101 -0.208 7.780 2.542 717 HD23 LEU 101 3HD2 LEU 101 1.247 7.321 3.459 718 H GLU 102 H GLU 102 2.702 2.108 4.745 719 HA GLU 102 HA GLU 102 5.308 1.949 3.508 720 HB2 GLU 102 1HB GLU 102 4.624 1.449 6.045 721 HB3 GLU 102 2HB GLU 102 4.250 -0.140 5.408 722 HG2 GLU 102 1HG GLU 102 6.449 -0.687 5.353 723 HG3 GLU 102 2HG GLU 102 6.800 0.686 4.321 724 H ILE 103 H ILE 103 5.297 1.108 1.458 725 HA ILE 103 HA ILE 103 3.414 -1.067 0.919 726 HB ILE 103 HB ILE 103 4.981 0.692 -0.973 727 HG12 ILE 103 1HG1 ILE 103 3.081 1.710 0.483 728 HG13 ILE 103 2HG1 ILE 103 3.127 2.037 -1.239 729 HG21 ILE 103 1HG2 ILE 103 3.030 -1.562 -1.404 730 HG22 ILE 103 2HG2 ILE 103 3.252 -0.278 -2.616 731 HG23 ILE 103 3HG2 ILE 103 4.630 -1.298 -2.137 732 HD11 ILE 103 1HD1 ILE 103 1.515 -0.259 -0.046 733 HD12 ILE 103 2HD1 ILE 103 0.842 1.366 -0.320 734 HD13 ILE 103 3HD1 ILE 103 1.412 0.394 -1.698 735 H GLU 104 H GLU 104 4.221 -2.928 -0.380 736 HA GLU 104 HA GLU 104 7.074 -3.332 0.001 737 HB2 GLU 104 1HB GLU 104 6.312 -4.579 1.831 738 HB3 GLU 104 2HB GLU 104 4.811 -5.028 1.044 739 HG2 GLU 104 1HG GLU 104 5.796 -6.771 -0.171 740 HG3 GLU 104 2HG GLU 104 7.376 -6.012 -0.195 741 H PHE 105 H PHE 105 8.068 -4.101 -1.830 742 HA PHE 105 HA PHE 105 6.334 -5.393 -3.811 743 HB2 PHE 105 1HB PHE 105 7.857 -4.143 -5.486 744 HB3 PHE 105 2HB PHE 105 6.785 -3.106 -4.566 745 HD1 PHE 105 1HD PHE 105 7.793 -2.093 -2.373 746 HD2 PHE 105 2HD PHE 105 10.123 -3.655 -5.557 747 HE1 PHE 105 1HE PHE 105 9.764 -0.751 -1.589 748 HE2 PHE 105 2HE PHE 105 12.094 -2.313 -4.773 749 HZ PHE 105 HZ PHE 105 11.891 -0.877 -2.798 750 H ASP 106 H ASP 106 7.986 -6.294 -5.672 751 HA ASP 106 HA ASP 106 9.729 -8.021 -4.151 752 HB2 ASP 106 1HB ASP 106 9.894 -9.182 -6.480 753 HB3 ASP 106 2HB ASP 106 8.377 -9.291 -5.609 754 H VAL 107 H VAL 107 12.015 -8.199 -4.663 755 HA VAL 107 HA VAL 107 13.005 -6.028 -6.378 756 HB VAL 107 HB VAL 107 14.447 -7.376 -4.094 757 HG11 VAL 107 1HG1 VAL 107 15.722 -6.140 -5.939 758 HG12 VAL 107 2HG1 VAL 107 14.977 -4.654 -5.302 759 HG13 VAL 107 3HG1 VAL 107 16.035 -5.635 -4.261 760 HG21 VAL 107 1HG2 VAL 107 12.927 -6.354 -2.771 761 HG22 VAL 107 2HG2 VAL 107 13.863 -4.888 -3.148 762 HG23 VAL 107 3HG2 VAL 107 12.382 -5.257 -4.063 763 H ALA 108 H ALA 108 14.711 -6.493 -7.850 764 HA ALA 108 HA ALA 108 14.637 -9.168 -8.834 765 HB1 ALA 108 1HB ALA 108 15.281 -8.126 -10.722 766 HB2 ALA 108 2HB ALA 108 15.202 -6.593 -9.821 767 HB3 ALA 108 3HB ALA 108 16.741 -7.481 -9.935 768 H GLU 109 H GLU 109 16.360 -10.696 -8.912 769 HA GLU 109 HA GLU 109 18.472 -10.098 -6.989 770 HB2 GLU 109 1HB GLU 109 16.766 -12.551 -7.367 771 HB3 GLU 109 2HB GLU 109 18.420 -12.775 -6.833 772 HG2 GLU 109 1HG GLU 109 17.052 -10.596 -5.378 773 HG3 GLU 109 2HG GLU 109 16.234 -12.135 -5.198 774 H SER 110 H SER 110 20.469 -11.628 -7.360 775 HA SER 110 HA SER 110 21.193 -11.257 -10.081 776 HB2 SER 110 1HB SER 110 22.760 -12.637 -7.859 777 HB3 SER 110 2HB SER 110 23.415 -12.013 -9.360 778 HG SER 110 HG SER 110 23.564 -10.643 -7.301 779 H VAL 111 H VAL 111 20.320 -12.699 -11.554 780 HA VAL 111 HA VAL 111 21.014 -15.477 -11.218 781 HB VAL 111 HB VAL 111 18.841 -15.184 -10.028 782 HG11 VAL 111 1HG1 VAL 111 17.696 -14.654 -12.788 783 HG12 VAL 111 2HG1 VAL 111 16.815 -14.726 -11.243 784 HG13 VAL 111 3HG1 VAL 111 17.959 -13.399 -11.553 785 HG21 VAL 111 1HG2 VAL 111 18.764 -16.912 -12.525 786 HG22 VAL 111 2HG2 VAL 111 19.512 -17.349 -10.970 787 HG23 VAL 111 3HG2 VAL 111 17.750 -17.120 -11.077 788 H ILE 112 H ILE 112 21.433 -16.425 -13.194 789 HA ILE 112 HA ILE 112 21.764 -14.777 -15.399 790 HB ILE 112 HB ILE 112 22.180 -16.859 -16.622 791 HG12 ILE 112 1HG1 ILE 112 22.008 -18.761 -14.491 792 HG13 ILE 112 2HG1 ILE 112 20.444 -17.986 -14.653 793 HG21 ILE 112 1HG2 ILE 112 24.140 -16.296 -15.649 794 HG22 ILE 112 2HG2 ILE 112 23.434 -16.194 -14.018 795 HG23 ILE 112 3HG2 ILE 112 23.841 -17.781 -14.714 796 HD11 ILE 112 1HD1 ILE 112 20.901 -18.361 -17.269 797 HD12 ILE 112 2HD1 ILE 112 21.959 -19.652 -16.649 798 HD13 ILE 112 3HD1 ILE 112 20.223 -19.657 -16.254 799 HA PRO 113 HA PRO 113 17.544 -14.659 -16.602 800 HB2 PRO 113 1HB PRO 113 17.768 -12.546 -18.320 801 HB3 PRO 113 2HB PRO 113 17.474 -12.357 -16.603 802 HG2 PRO 113 1HG PRO 113 19.973 -11.905 -18.117 803 HG3 PRO 113 2HG PRO 113 19.538 -11.332 -16.519 804 HD2 PRO 113 1HD PRO 113 21.310 -13.500 -17.141 805 HD3 PRO 113 2HD PRO 113 20.784 -13.000 -15.545 806 H SER 114 H SER 114 16.372 -14.401 -18.878 807 HA SER 114 HA SER 114 17.809 -15.240 -21.073 808 HB2 SER 114 1HB SER 114 17.573 -17.357 -19.301 809 HB3 SER 114 2HB SER 114 16.175 -17.605 -20.329 810 HG SER 114 HG SER 114 18.593 -16.989 -21.671 811 H SER 115 H SER 115 14.677 -15.903 -19.340 812 HA SER 115 HA SER 115 12.982 -16.098 -21.353 813 HB2 SER 115 1HB SER 115 11.289 -14.913 -19.883 814 HB3 SER 115 2HB SER 115 12.185 -16.190 -19.085 815 HG SER 115 HG SER 115 13.178 -14.760 -17.794 816 H GLY 116 H GLY 116 12.250 -14.866 -23.071 817 HA2 GLY 116 1HA GLY 116 12.422 -11.961 -22.934 818 HA3 GLY 116 2HA GLY 116 13.440 -12.742 -24.127 819 H SER 117 H SER 117 11.729 -11.134 -25.310 820 HA SER 117 HA SER 117 9.984 -12.937 -26.642 821 HB2 SER 117 1HB SER 117 8.866 -11.590 -24.474 822 HB3 SER 117 2HB SER 117 8.442 -10.549 -25.819 823 HG SER 117 HG SER 117 6.895 -11.946 -26.269 824 H GLY 118 H GLY 118 8.848 -11.727 -28.538 825 HA2 GLY 118 1HA GLY 118 10.643 -10.443 -30.133 826 HA3 GLY 118 2HA GLY 118 8.903 -10.286 -30.270 827 HA PRO 119 HA PRO 119 10.807 -6.573 -27.961 828 HB2 PRO 119 1HB PRO 119 13.244 -5.787 -28.916 829 HB3 PRO 119 2HB PRO 119 13.047 -6.741 -27.459 830 HG2 PRO 119 1HG PRO 119 13.969 -7.607 -30.130 831 HG3 PRO 119 2HG PRO 119 14.165 -8.413 -28.587 832 HD2 PRO 119 1HD PRO 119 12.295 -9.093 -30.653 833 HD3 PRO 119 2HD PRO 119 12.414 -9.824 -29.065 834 H SER 120 H SER 120 9.432 -5.047 -28.600 835 HA SER 120 HA SER 120 10.085 -3.898 -31.177 836 HB2 SER 120 1HB SER 120 7.337 -4.926 -30.356 837 HB3 SER 120 2HB SER 120 7.573 -3.804 -31.681 838 HG SER 120 HG SER 120 8.151 -5.436 -32.931 839 H SER 121 H SER 121 9.000 -1.702 -31.462 840 HA SER 121 HA SER 121 7.628 -0.496 -29.402 841 HB2 SER 121 1HB SER 121 10.076 -0.856 -28.423 842 HB3 SER 121 2HB SER 121 10.464 0.546 -29.399 843 HG SER 121 HG SER 121 9.370 0.543 -26.970 844 H GLY 122 H GLY 122 7.357 1.898 -29.827 845 HA2 GLY 122 1HA GLY 122 7.485 3.765 -31.154 846 HA3 GLY 122 2HA GLY 122 8.511 2.913 -32.291 Start of MODEL 19 1 H1 GLY 1 H GLY 1 36.177 -10.425 9.565 2 HA2 GLY 1 1HA GLY 1 35.248 -12.722 8.632 3 HA3 GLY 1 2HA GLY 1 36.691 -12.647 9.623 4 H SER 2 H SER 2 33.391 -13.734 9.405 5 HA SER 2 HA SER 2 33.710 -15.377 11.630 6 HB2 SER 2 1HB SER 2 33.159 -12.963 12.596 7 HB3 SER 2 2HB SER 2 31.518 -13.353 12.122 8 HG SER 2 HG SER 2 32.744 -15.454 13.483 9 H SER 3 H SER 3 31.726 -16.769 11.956 10 HA SER 3 HA SER 3 30.078 -17.961 11.202 11 HB2 SER 3 1HB SER 3 29.245 -15.443 9.692 12 HB3 SER 3 2HB SER 3 28.233 -16.857 9.906 13 HG SER 3 HG SER 3 28.388 -16.524 12.242 14 H GLY 4 H GLY 4 29.032 -18.909 9.071 15 HA2 GLY 4 1HA GLY 4 31.151 -18.954 7.011 16 HA3 GLY 4 2HA GLY 4 30.103 -20.296 7.427 17 H SER 5 H SER 5 28.634 -20.693 5.836 18 HA SER 5 HA SER 5 26.850 -18.665 5.071 19 HB2 SER 5 1HB SER 5 29.234 -18.789 3.531 20 HB3 SER 5 2HB SER 5 28.010 -19.565 2.547 21 HG SER 5 HG SER 5 27.391 -17.582 2.045 22 H SER 6 H SER 6 25.364 -19.598 3.174 23 HA SER 6 HA SER 6 25.470 -22.414 2.887 24 HB2 SER 6 1HB SER 6 23.752 -21.199 4.978 25 HB3 SER 6 2HB SER 6 22.885 -22.265 3.889 26 HG SER 6 HG SER 6 24.902 -23.745 4.351 27 H GLY 7 H GLY 7 23.326 -23.152 1.661 28 HA2 GLY 7 1HA GLY 7 22.033 -20.982 0.212 29 HA3 GLY 7 2HA GLY 7 23.080 -22.023 -0.732 30 H ALA 8 H ALA 8 19.946 -21.557 -0.261 31 HA ALA 8 HA ALA 8 19.171 -24.100 -1.078 32 HB1 ALA 8 1HB ALA 8 19.262 -23.645 1.865 33 HB2 ALA 8 2HB ALA 8 17.767 -24.373 1.231 34 HB3 ALA 8 3HB ALA 8 19.335 -25.163 0.938 35 H GLY 9 H GLY 9 17.080 -23.990 -1.914 36 HA2 GLY 9 1HA GLY 9 15.176 -23.026 -2.612 37 HA3 GLY 9 2HA GLY 9 15.050 -22.307 -1.019 38 H GLN 10 H GLN 10 15.447 -21.676 -4.347 39 HA GLN 10 HA GLN 10 16.748 -19.137 -3.840 40 HB2 GLN 10 1HB GLN 10 16.731 -19.019 -6.409 41 HB3 GLN 10 2HB GLN 10 17.742 -20.256 -5.688 42 HG2 GLN 10 1HG GLN 10 16.108 -21.992 -6.147 43 HG3 GLN 10 2HG GLN 10 14.878 -20.817 -6.570 44 HE21 GLN 10 1HE2 GLN 10 15.911 -19.109 -8.239 45 HE22 GLN 10 2HE2 GLN 10 16.554 -19.836 -9.674 46 H VAL 11 H VAL 11 15.613 -17.233 -3.769 47 HA VAL 11 HA VAL 11 13.194 -16.921 -5.252 48 HB VAL 11 HB VAL 11 12.399 -18.237 -3.336 49 HG11 VAL 11 1HG1 VAL 11 13.769 -17.824 -1.517 50 HG12 VAL 11 2HG1 VAL 11 13.772 -16.063 -1.779 51 HG13 VAL 11 3HG1 VAL 11 12.332 -16.860 -1.100 52 HG21 VAL 11 1HG2 VAL 11 11.040 -16.401 -4.469 53 HG22 VAL 11 2HG2 VAL 11 10.506 -16.897 -2.845 54 HG23 VAL 11 3HG2 VAL 11 11.421 -15.385 -3.058 55 H VAL 12 H VAL 12 12.239 -14.647 -4.729 56 HA VAL 12 HA VAL 12 14.539 -12.877 -4.431 57 HB VAL 12 HB VAL 12 13.061 -12.841 -6.457 58 HG11 VAL 12 1HG1 VAL 12 11.044 -11.924 -4.401 59 HG12 VAL 12 2HG1 VAL 12 10.906 -11.475 -6.118 60 HG13 VAL 12 3HG1 VAL 12 10.881 -13.190 -5.642 61 HG21 VAL 12 1HG2 VAL 12 14.503 -10.942 -5.816 62 HG22 VAL 12 2HG2 VAL 12 13.007 -10.404 -6.616 63 HG23 VAL 12 3HG2 VAL 12 13.171 -10.266 -4.849 64 H HIS 13 H HIS 13 14.143 -10.769 -3.233 65 HA HIS 13 HA HIS 13 12.563 -11.383 -0.846 66 HB2 HIS 13 1HB HIS 13 14.073 -9.942 0.379 67 HB3 HIS 13 2HB HIS 13 14.971 -11.194 -0.456 68 HD1 HIS 13 1HD HIS 13 16.708 -10.467 -2.195 69 HD2 HIS 13 2HD HIS 13 14.377 -7.296 -0.746 70 HE1 HIS 13 1HE HIS 13 17.806 -8.326 -3.045 71 H THR 14 H THR 14 11.700 -9.323 0.290 72 HA THR 14 HA THR 14 10.765 -7.440 -1.775 73 HB THR 14 HB THR 14 8.679 -7.406 -0.152 74 HG1 THR 14 1HG THR 14 8.601 -9.543 0.947 75 HG21 THR 14 1HG2 THR 14 8.780 -8.545 -2.479 76 HG22 THR 14 2HG2 THR 14 9.190 -10.042 -1.609 77 HG23 THR 14 3HG2 THR 14 7.625 -9.245 -1.319 78 H GLU 15 H GLU 15 10.433 -5.254 -1.138 79 HA GLU 15 HA GLU 15 11.861 -4.637 1.332 80 HB2 GLU 15 1HB GLU 15 12.271 -3.700 -1.417 81 HB3 GLU 15 2HB GLU 15 12.012 -2.358 -0.321 82 HG2 GLU 15 1HG GLU 15 13.863 -4.518 0.637 83 HG3 GLU 15 2HG GLU 15 14.444 -3.530 -0.689 84 H THR 16 H THR 16 11.314 -2.007 1.729 85 HA THR 16 HA THR 16 8.404 -1.728 1.461 86 HB THR 16 HB THR 16 8.741 -0.784 3.965 87 HG1 THR 16 1HG THR 16 10.748 -2.872 3.476 88 HG21 THR 16 1HG2 THR 16 8.652 -3.756 3.226 89 HG22 THR 16 2HG2 THR 16 8.346 -3.125 4.862 90 HG23 THR 16 3HG2 THR 16 7.251 -2.700 3.524 91 H THR 17 H THR 17 7.657 0.332 1.105 92 HA THR 17 HA THR 17 9.729 2.425 1.068 93 HB THR 17 HB THR 17 9.161 1.466 -1.227 94 HG1 THR 17 1HG THR 17 8.813 3.693 -2.003 95 HG21 THR 17 1HG2 THR 17 6.436 2.599 -0.435 96 HG22 THR 17 2HG2 THR 17 6.936 2.436 -2.135 97 HG23 THR 17 3HG2 THR 17 6.790 0.990 -1.107 98 H GLU 18 H GLU 18 9.154 4.458 1.782 99 HA GLU 18 HA GLU 18 6.642 4.462 3.217 100 HB2 GLU 18 1HB GLU 18 8.481 5.065 4.611 101 HB3 GLU 18 2HB GLU 18 9.179 6.117 3.396 102 HG2 GLU 18 1HG GLU 18 6.451 6.966 4.031 103 HG3 GLU 18 2HG GLU 18 7.410 6.855 5.493 104 H VAL 19 H VAL 19 4.876 5.505 2.404 105 HA VAL 19 HA VAL 19 5.340 7.361 0.195 106 HB VAL 19 HB VAL 19 2.766 6.076 1.120 107 HG11 VAL 19 1HG1 VAL 19 3.247 6.943 -1.696 108 HG12 VAL 19 2HG1 VAL 19 1.753 6.958 -0.728 109 HG13 VAL 19 3HG1 VAL 19 2.989 8.214 -0.477 110 HG21 VAL 19 1HG2 VAL 19 3.847 4.989 -1.342 111 HG22 VAL 19 2HG2 VAL 19 4.988 4.768 0.005 112 HG23 VAL 19 3HG2 VAL 19 3.324 4.150 0.138 113 H VAL 20 H VAL 20 5.358 9.496 0.646 114 HA VAL 20 HA VAL 20 3.930 10.349 3.062 115 HB VAL 20 HB VAL 20 6.301 11.444 1.555 116 HG11 VAL 20 1HG1 VAL 20 6.306 13.325 3.176 117 HG12 VAL 20 2HG1 VAL 20 4.895 13.351 2.091 118 HG13 VAL 20 3HG1 VAL 20 4.717 12.788 3.771 119 HG21 VAL 20 1HG2 VAL 20 6.582 11.263 4.422 120 HG22 VAL 20 2HG2 VAL 20 6.027 9.704 3.766 121 HG23 VAL 20 3HG2 VAL 20 7.516 10.454 3.141 122 H LEU 21 H LEU 21 1.871 10.916 2.511 123 HA LEU 21 HA LEU 21 1.570 12.500 0.060 124 HB2 LEU 21 1HB LEU 21 -0.530 10.939 1.567 125 HB3 LEU 21 2HB LEU 21 -0.737 11.778 0.043 126 HG LEU 21 HG LEU 21 1.238 9.514 0.353 127 HD11 LEU 21 1HD1 LEU 21 -0.386 8.018 0.526 128 HD12 LEU 21 2HD1 LEU 21 -1.602 9.317 0.559 129 HD13 LEU 21 3HD1 LEU 21 -1.097 8.610 -0.994 130 HD21 LEU 21 1HD2 LEU 21 0.058 11.046 -1.936 131 HD22 LEU 21 2HD2 LEU 21 1.743 10.558 -1.631 132 HD23 LEU 21 3HD2 LEU 21 0.551 9.352 -2.173 133 H THR 22 H THR 22 0.667 14.549 0.146 134 HA THR 22 HA THR 22 0.326 15.603 2.865 135 HB THR 22 HB THR 22 0.659 17.187 0.281 136 HG1 THR 22 1HG THR 22 2.980 16.940 0.823 137 HG21 THR 22 1HG2 THR 22 0.173 18.429 2.429 138 HG22 THR 22 2HG2 THR 22 1.597 17.652 3.162 139 HG23 THR 22 3HG2 THR 22 1.800 18.777 1.798 140 H ALA 23 H ALA 23 -1.713 15.517 3.583 141 HA ALA 23 HA ALA 23 -3.971 15.105 2.211 142 HB1 ALA 23 1HB ALA 23 -5.137 16.181 4.077 143 HB2 ALA 23 2HB ALA 23 -3.734 15.270 4.684 144 HB3 ALA 23 3HB ALA 23 -3.650 17.042 4.539 145 H ASP 24 H ASP 24 -4.258 16.009 0.180 146 HA ASP 24 HA ASP 24 -3.595 18.521 -0.566 147 HB2 ASP 24 1HB ASP 24 -5.132 16.341 -1.602 148 HB3 ASP 24 2HB ASP 24 -6.130 17.768 -1.791 149 HA PRO 25 HA PRO 25 -6.759 21.118 1.021 150 HB2 PRO 25 1HB PRO 25 -7.444 22.789 -1.030 151 HB3 PRO 25 2HB PRO 25 -5.990 22.992 -0.074 152 HG2 PRO 25 1HG PRO 25 -6.268 21.958 -2.830 153 HG3 PRO 25 2HG PRO 25 -4.834 22.561 -2.023 154 HD2 PRO 25 1HD PRO 25 -5.498 19.815 -2.518 155 HD3 PRO 25 2HD PRO 25 -4.124 20.414 -1.610 156 H VAL 26 H VAL 26 -7.558 19.022 -1.477 157 HA VAL 26 HA VAL 26 -10.365 19.267 -0.668 158 HB VAL 26 HB VAL 26 -9.186 19.185 -3.433 159 HG11 VAL 26 1HG1 VAL 26 -10.843 17.331 -3.220 160 HG12 VAL 26 2HG1 VAL 26 -12.070 18.531 -2.748 161 HG13 VAL 26 3HG1 VAL 26 -11.336 18.598 -4.368 162 HG21 VAL 26 1HG2 VAL 26 -10.571 21.087 -3.845 163 HG22 VAL 26 2HG2 VAL 26 -11.465 20.848 -2.324 164 HG23 VAL 26 3HG2 VAL 26 -9.762 21.363 -2.283 165 H THR 27 H THR 27 -8.103 17.212 -2.647 166 HA THR 27 HA THR 27 -9.383 14.862 -1.456 167 HB THR 27 HB THR 27 -8.128 13.718 -3.363 168 HG1 THR 27 1HG THR 27 -6.477 15.418 -3.504 169 HG21 THR 27 1HG2 THR 27 -10.495 15.059 -3.558 170 HG22 THR 27 2HG2 THR 27 -9.516 16.045 -4.670 171 HG23 THR 27 3HG2 THR 27 -9.714 14.302 -4.967 172 H GLY 28 H GLY 28 -8.322 15.542 0.652 173 HA2 GLY 28 1HA GLY 28 -5.903 15.804 1.474 174 HA3 GLY 28 2HA GLY 28 -6.867 14.500 2.140 175 H PHE 29 H PHE 29 -6.732 12.315 1.060 176 HA PHE 29 HA PHE 29 -4.062 11.972 -0.112 177 HB2 PHE 29 1HB PHE 29 -5.840 10.098 1.563 178 HB3 PHE 29 2HB PHE 29 -4.239 9.686 0.984 179 HD1 PHE 29 1HD PHE 29 -3.112 12.553 1.561 180 HD2 PHE 29 2HD PHE 29 -5.277 9.732 3.877 181 HE1 PHE 29 1HE PHE 29 -2.109 13.503 3.657 182 HE2 PHE 29 2HE PHE 29 -4.274 10.682 5.972 183 HZ PHE 29 HZ PHE 29 -2.702 12.556 5.837 184 H GLY 30 H GLY 30 -7.540 11.313 -0.318 185 HA2 GLY 30 1HA GLY 30 -8.803 10.361 -1.913 186 HA3 GLY 30 2HA GLY 30 -7.530 10.788 -3.040 187 H ILE 31 H ILE 31 -7.969 8.395 -0.325 188 HA ILE 31 HA ILE 31 -7.179 6.309 -2.219 189 HB ILE 31 HB ILE 31 -6.119 6.466 0.597 190 HG12 ILE 31 1HG1 ILE 31 -4.573 7.163 -1.909 191 HG13 ILE 31 2HG1 ILE 31 -5.346 8.372 -0.903 192 HG21 ILE 31 1HG2 ILE 31 -6.326 4.324 -1.109 193 HG22 ILE 31 2HG2 ILE 31 -4.677 4.913 -1.430 194 HG23 ILE 31 3HG2 ILE 31 -5.161 4.480 0.227 195 HD11 ILE 31 1HD1 ILE 31 -4.060 7.463 1.085 196 HD12 ILE 31 2HD1 ILE 31 -3.190 6.393 -0.040 197 HD13 ILE 31 3HD1 ILE 31 -3.030 8.160 -0.188 198 H GLN 32 H GLN 32 -8.190 4.290 -1.882 199 HA GLN 32 HA GLN 32 -10.191 4.337 0.239 200 HB2 GLN 32 1HB GLN 32 -10.517 3.897 -2.694 201 HB3 GLN 32 2HB GLN 32 -11.387 2.772 -1.671 202 HG2 GLN 32 1HG GLN 32 -11.566 5.652 -0.871 203 HG3 GLN 32 2HG GLN 32 -12.351 5.235 -2.381 204 HE21 GLN 32 1HE2 GLN 32 -14.316 5.785 -1.304 205 HE22 GLN 32 2HE2 GLN 32 -15.129 4.645 -0.285 206 H LEU 33 H LEU 33 -10.269 2.503 1.516 207 HA LEU 33 HA LEU 33 -8.342 0.430 0.846 208 HB2 LEU 33 1HB LEU 33 -9.867 1.035 3.382 209 HB3 LEU 33 2HB LEU 33 -8.736 -0.289 3.188 210 HG LEU 33 HG LEU 33 -7.638 1.494 4.346 211 HD11 LEU 33 1HD1 LEU 33 -6.446 0.193 2.469 212 HD12 LEU 33 2HD1 LEU 33 -6.533 1.717 1.553 213 HD13 LEU 33 3HD1 LEU 33 -5.670 1.662 3.109 214 HD21 LEU 33 1HD2 LEU 33 -8.101 3.373 2.031 215 HD22 LEU 33 2HD2 LEU 33 -9.218 3.273 3.413 216 HD23 LEU 33 3HD2 LEU 33 -7.520 3.739 3.674 217 H GLN 34 H GLN 34 -8.939 -1.867 1.027 218 HA GLN 34 HA GLN 34 -11.735 -2.205 0.269 219 HB2 GLN 34 1HB GLN 34 -11.036 -4.130 -1.064 220 HB3 GLN 34 2HB GLN 34 -10.082 -2.734 -1.523 221 HG2 GLN 34 1HG GLN 34 -8.124 -3.634 -0.720 222 HG3 GLN 34 2HG GLN 34 -8.898 -4.324 0.694 223 HE21 GLN 34 1HE2 GLN 34 -8.519 -4.676 -2.805 224 HE22 GLN 34 2HE2 GLN 34 -8.682 -6.399 -2.883 225 H GLY 35 H GLY 35 -12.917 -4.015 1.146 226 HA2 GLY 35 1HA GLY 35 -11.656 -5.158 3.568 227 HA3 GLY 35 2HA GLY 35 -13.350 -4.732 3.430 228 H SER 36 H SER 36 -13.870 -6.974 4.019 229 HA SER 36 HA SER 36 -14.114 -8.561 1.669 230 HB2 SER 36 1HB SER 36 -11.797 -9.076 2.819 231 HB3 SER 36 2HB SER 36 -12.760 -9.924 4.012 232 HG SER 36 HG SER 36 -12.992 -10.428 1.173 233 H VAL 37 H VAL 37 -15.353 -10.718 2.306 234 HA VAL 37 HA VAL 37 -17.339 -9.925 4.300 235 HB VAL 37 HB VAL 37 -18.877 -11.201 3.124 236 HG11 VAL 37 1HG1 VAL 37 -18.638 -10.552 0.740 237 HG12 VAL 37 2HG1 VAL 37 -18.275 -9.216 1.859 238 HG13 VAL 37 3HG1 VAL 37 -16.948 -10.092 1.057 239 HG21 VAL 37 1HG2 VAL 37 -17.867 -13.316 2.925 240 HG22 VAL 37 2HG2 VAL 37 -18.119 -12.786 1.245 241 HG23 VAL 37 3HG2 VAL 37 -16.501 -12.677 1.979 242 H PHE 38 H PHE 38 -15.021 -12.494 3.360 243 HA PHE 38 HA PHE 38 -15.789 -14.017 5.719 244 HB2 PHE 38 1HB PHE 38 -14.377 -14.396 3.093 245 HB3 PHE 38 2HB PHE 38 -13.665 -15.298 4.417 246 HD1 PHE 38 2HD PHE 38 -16.631 -14.910 2.306 247 HD2 PHE 38 1HD PHE 38 -14.859 -17.134 5.456 248 HE1 PHE 38 2HE PHE 38 -18.373 -16.695 2.026 249 HE2 PHE 38 1HE PHE 38 -16.601 -18.919 5.176 250 HZ PHE 38 HZ PHE 38 -18.337 -18.678 3.464 251 H ALA 39 H ALA 39 -14.496 -14.249 7.529 252 HA ALA 39 HA ALA 39 -11.743 -13.769 7.548 253 HB1 ALA 39 1HB ALA 39 -13.414 -11.492 8.685 254 HB2 ALA 39 2HB ALA 39 -11.639 -11.625 8.700 255 HB3 ALA 39 3HB ALA 39 -12.503 -11.415 7.158 256 H THR 40 H THR 40 -11.442 -12.907 10.240 257 HA THR 40 HA THR 40 -13.109 -14.825 11.718 258 HB THR 40 HB THR 40 -10.077 -14.614 11.519 259 HG1 THR 40 1HG THR 40 -12.071 -16.763 11.689 260 HG21 THR 40 1HG2 THR 40 -10.885 -14.621 13.994 261 HG22 THR 40 2HG2 THR 40 -11.593 -16.214 13.632 262 HG23 THR 40 3HG2 THR 40 -9.835 -15.970 13.498 263 H GLU 41 H GLU 41 -10.417 -12.495 12.414 264 HA GLU 41 HA GLU 41 -12.190 -11.405 14.450 265 HB2 GLU 41 1HB GLU 41 -9.250 -11.877 14.288 266 HB3 GLU 41 2HB GLU 41 -9.717 -10.366 15.045 267 HG2 GLU 41 1HG GLU 41 -11.346 -11.720 16.500 268 HG3 GLU 41 2HG GLU 41 -10.605 -13.171 15.855 269 H THR 42 H THR 42 -9.985 -10.606 11.722 270 HA THR 42 HA THR 42 -11.219 -7.932 11.667 271 HB THR 42 HB THR 42 -9.005 -7.076 10.940 272 HG1 THR 42 1HG THR 42 -7.681 -8.656 10.144 273 HG21 THR 42 1HG2 THR 42 -8.590 -6.890 13.190 274 HG22 THR 42 2HG2 THR 42 -9.386 -8.446 13.531 275 HG23 THR 42 3HG2 THR 42 -7.678 -8.410 13.031 276 H LEU 43 H LEU 43 -9.257 -7.813 9.144 277 HA LEU 43 HA LEU 43 -11.353 -8.776 7.368 278 HB2 LEU 43 1HB LEU 43 -8.927 -7.177 6.595 279 HB3 LEU 43 2HB LEU 43 -10.447 -7.343 5.740 280 HG LEU 43 HG LEU 43 -10.163 -5.951 8.415 281 HD11 LEU 43 1HD1 LEU 43 -10.306 -4.689 5.664 282 HD12 LEU 43 2HD1 LEU 43 -10.221 -3.843 7.227 283 HD13 LEU 43 3HD1 LEU 43 -8.840 -4.815 6.666 284 HD21 LEU 43 1HD2 LEU 43 -12.423 -5.748 6.417 285 HD22 LEU 43 2HD2 LEU 43 -12.415 -6.900 7.774 286 HD23 LEU 43 3HD2 LEU 43 -12.370 -5.149 8.093 287 H SER 44 H SER 44 -9.086 -10.343 8.933 288 HA SER 44 HA SER 44 -7.595 -11.903 8.526 289 HB2 SER 44 1HB SER 44 -10.036 -12.766 7.812 290 HB3 SER 44 2HB SER 44 -9.275 -12.918 6.241 291 HG SER 44 HG SER 44 -7.794 -14.405 7.052 292 H SER 45 H SER 45 -7.112 -9.414 7.005 293 HA SER 45 HA SER 45 -5.066 -10.301 5.397 294 HB2 SER 45 1HB SER 45 -5.877 -10.493 3.286 295 HB3 SER 45 2HB SER 45 -7.454 -10.637 4.037 296 HG SER 45 HG SER 45 -6.519 -8.657 2.413 297 HA PRO 46 HA PRO 46 -4.202 -6.052 5.753 298 HB2 PRO 46 1HB PRO 46 -2.465 -5.571 3.699 299 HB3 PRO 46 2HB PRO 46 -1.987 -6.342 5.198 300 HG2 PRO 46 1HG PRO 46 -2.421 -7.565 2.542 301 HG3 PRO 46 2HG PRO 46 -1.551 -8.211 3.919 302 HD2 PRO 46 1HD PRO 46 -4.177 -8.960 3.042 303 HD3 PRO 46 2HD PRO 46 -3.354 -9.521 4.484 304 HA PRO 47 HA PRO 47 -6.808 -3.701 3.367 305 HB2 PRO 47 1HB PRO 47 -6.087 -1.166 4.090 306 HB3 PRO 47 2HB PRO 47 -7.149 -2.172 5.055 307 HG2 PRO 47 1HG PRO 47 -4.311 -1.489 5.523 308 HG3 PRO 47 2HG PRO 47 -5.490 -2.119 6.656 309 HD2 PRO 47 1HD PRO 47 -3.381 -3.586 5.381 310 HD3 PRO 47 2HD PRO 47 -4.629 -4.238 6.422 311 H LEU 48 H LEU 48 -6.384 -4.193 1.254 312 HA LEU 48 HA LEU 48 -4.063 -2.962 0.083 313 HB2 LEU 48 1HB LEU 48 -6.191 -4.379 -1.469 314 HB3 LEU 48 2HB LEU 48 -4.464 -4.296 -1.758 315 HG LEU 48 HG LEU 48 -4.966 -5.604 0.769 316 HD11 LEU 48 1HD1 LEU 48 -6.590 -6.540 -1.583 317 HD12 LEU 48 2HD1 LEU 48 -5.987 -7.694 -0.370 318 HD13 LEU 48 3HD1 LEU 48 -7.062 -6.364 0.124 319 HD21 LEU 48 1HD2 LEU 48 -3.555 -6.191 -1.806 320 HD22 LEU 48 2HD2 LEU 48 -2.912 -6.058 -0.152 321 HD23 LEU 48 3HD2 LEU 48 -3.824 -7.507 -0.638 322 H ILE 49 H ILE 49 -4.055 -1.329 -1.525 323 HA ILE 49 HA ILE 49 -5.935 0.692 -1.131 324 HB ILE 49 HB ILE 49 -3.682 0.170 -3.008 325 HG12 ILE 49 1HG1 ILE 49 -4.326 2.444 -1.107 326 HG13 ILE 49 2HG1 ILE 49 -3.308 1.067 -0.735 327 HG21 ILE 49 1HG2 ILE 49 -4.225 2.552 -3.929 328 HG22 ILE 49 2HG2 ILE 49 -5.010 1.120 -4.637 329 HG23 ILE 49 3HG2 ILE 49 -5.897 2.140 -3.479 330 HD11 ILE 49 1HD1 ILE 49 -2.590 3.504 -2.096 331 HD12 ILE 49 2HD1 ILE 49 -1.540 2.137 -1.651 332 HD13 ILE 49 3HD1 ILE 49 -2.372 2.146 -3.225 333 H SER 50 H SER 50 -8.075 0.086 -1.438 334 HA SER 50 HA SER 50 -8.978 -1.535 -3.436 335 HB2 SER 50 1HB SER 50 -10.242 -0.697 -1.393 336 HB3 SER 50 2HB SER 50 -10.494 0.821 -2.233 337 HG SER 50 HG SER 50 -12.121 -1.173 -2.355 338 H TYR 51 H TYR 51 -8.854 2.100 -3.338 339 HA TYR 51 HA TYR 51 -8.525 2.102 -6.224 340 HB2 TYR 51 1HB TYR 51 -11.010 2.209 -5.705 341 HB3 TYR 51 2HB TYR 51 -10.719 3.541 -4.604 342 HD1 TYR 51 2HD TYR 51 -10.353 2.580 -8.202 343 HD2 TYR 51 1HD TYR 51 -10.843 5.753 -5.375 344 HE1 TYR 51 2HE TYR 51 -10.686 4.233 -10.104 345 HE2 TYR 51 1HE TYR 51 -11.175 7.396 -7.287 346 HH TYR 51 HH TYR 51 -10.642 6.434 -10.602 347 H ILE 52 H ILE 52 -7.783 4.212 -7.044 348 HA ILE 52 HA ILE 52 -6.630 5.836 -4.883 349 HB ILE 52 HB ILE 52 -5.450 5.140 -7.575 350 HG12 ILE 52 1HG1 ILE 52 -4.127 4.491 -4.977 351 HG13 ILE 52 2HG1 ILE 52 -5.489 3.501 -5.463 352 HG21 ILE 52 1HG2 ILE 52 -4.956 7.459 -6.915 353 HG22 ILE 52 2HG2 ILE 52 -4.306 6.872 -5.365 354 HG23 ILE 52 3HG2 ILE 52 -3.506 6.427 -6.892 355 HD11 ILE 52 1HD1 ILE 52 -3.673 3.995 -7.719 356 HD12 ILE 52 2HD1 ILE 52 -2.840 3.225 -6.348 357 HD13 ILE 52 3HD1 ILE 52 -4.272 2.451 -7.067 358 H GLU 53 H GLU 53 -7.934 7.600 -4.726 359 HA GLU 53 HA GLU 53 -9.573 8.547 -6.656 360 HB2 GLU 53 1HB GLU 53 -8.881 9.273 -4.063 361 HB3 GLU 53 2HB GLU 53 -8.380 10.679 -4.981 362 HG2 GLU 53 1HG GLU 53 -10.840 10.163 -6.127 363 HG3 GLU 53 2HG GLU 53 -11.122 9.618 -4.486 364 H ALA 54 H ALA 54 -9.478 10.450 -8.091 365 HA ALA 54 HA ALA 54 -6.833 10.675 -9.282 366 HB1 ALA 54 1HB ALA 54 -8.399 12.019 -10.975 367 HB2 ALA 54 2HB ALA 54 -8.350 10.240 -10.968 368 HB3 ALA 54 3HB ALA 54 -9.676 11.097 -10.146 369 H ASP 55 H ASP 55 -6.099 12.887 -10.008 370 HA ASP 55 HA ASP 55 -5.492 14.915 -9.543 371 HB2 ASP 55 1HB ASP 55 -8.346 14.952 -9.369 372 HB3 ASP 55 2HB ASP 55 -7.771 15.925 -8.030 373 H SER 56 H SER 56 -5.530 12.613 -7.407 374 HA SER 56 HA SER 56 -5.367 14.282 -5.032 375 HB2 SER 56 1HB SER 56 -6.253 12.535 -3.900 376 HB3 SER 56 2HB SER 56 -6.570 11.796 -5.457 377 HG SER 56 HG SER 56 -5.077 10.320 -5.054 378 HA PRO 57 HA PRO 57 -1.078 13.585 -4.724 379 HB2 PRO 57 1HB PRO 57 -0.601 13.081 -2.081 380 HB3 PRO 57 2HB PRO 57 -0.889 14.690 -2.713 381 HG2 PRO 57 1HG PRO 57 -2.710 12.956 -1.158 382 HG3 PRO 57 2HG PRO 57 -2.805 14.685 -1.428 383 HD2 PRO 57 1HD PRO 57 -4.379 12.658 -2.710 384 HD3 PRO 57 2HD PRO 57 -4.392 14.375 -3.062 385 H ALA 58 H ALA 58 -3.106 11.014 -3.818 386 HA ALA 58 HA ALA 58 -1.028 9.110 -3.461 387 HB1 ALA 58 1HB ALA 58 -2.856 7.511 -3.417 388 HB2 ALA 58 2HB ALA 58 -3.349 8.963 -2.514 389 HB3 ALA 58 3HB ALA 58 -3.960 8.691 -4.164 390 H GLU 59 H GLU 59 -2.590 10.632 -6.203 391 HA GLU 59 HA GLU 59 -1.760 8.491 -7.950 392 HB2 GLU 59 1HB GLU 59 -3.901 9.306 -8.537 393 HB3 GLU 59 2HB GLU 59 -3.451 10.979 -8.274 394 HG2 GLU 59 1HG GLU 59 -1.923 9.487 -10.389 395 HG3 GLU 59 2HG GLU 59 -3.595 9.869 -10.749 396 H ARG 60 H ARG 60 -0.853 11.764 -6.921 397 HA ARG 60 HA ARG 60 0.668 12.560 -9.009 398 HB2 ARG 60 1HB ARG 60 0.636 13.057 -6.065 399 HB3 ARG 60 2HB ARG 60 2.156 13.447 -6.845 400 HG2 ARG 60 1HG ARG 60 0.589 14.654 -8.635 401 HG3 ARG 60 2HG ARG 60 -0.583 14.638 -7.332 402 HD2 ARG 60 1HD ARG 60 2.070 15.518 -6.395 403 HD3 ARG 60 2HD ARG 60 1.477 16.527 -7.700 404 HE ARG 60 HE ARG 60 -0.735 16.297 -6.061 405 HH11 ARG 60 2HH2 ARG 60 2.605 17.247 -5.493 406 HH12 ARG 60 1HH2 ARG 60 2.214 18.310 -4.183 407 HH21 ARG 60 2HH1 ARG 60 -1.251 17.699 -4.332 408 HH22 ARG 60 1HH1 ARG 60 0.006 18.568 -3.518 409 H CYS 61 H CYS 61 1.947 10.939 -6.000 410 HA CYS 61 HA CYS 61 4.474 10.477 -7.016 411 HB2 CYS 61 1HB CYS 61 4.629 8.743 -5.193 412 HB3 CYS 61 2HB CYS 61 4.147 10.342 -4.664 413 HG CYS 61 HG CYS 61 2.024 9.811 -3.747 414 H GLY 62 H GLY 62 1.364 8.902 -7.546 415 HA2 GLY 62 1HA GLY 62 0.778 6.966 -8.579 416 HA3 GLY 62 2HA GLY 62 1.887 7.562 -9.797 417 H VAL 63 H VAL 63 2.333 6.151 -6.470 418 HA VAL 63 HA VAL 63 4.122 4.182 -7.722 419 HB VAL 63 HB VAL 63 5.456 4.247 -5.700 420 HG11 VAL 63 1HG1 VAL 63 6.686 6.002 -6.409 421 HG12 VAL 63 2HG1 VAL 63 5.449 6.129 -7.682 422 HG13 VAL 63 3HG1 VAL 63 5.339 7.151 -6.229 423 HG21 VAL 63 1HG2 VAL 63 4.982 6.244 -4.100 424 HG22 VAL 63 2HG2 VAL 63 3.330 6.164 -4.757 425 HG23 VAL 63 3HG2 VAL 63 4.027 4.751 -3.928 426 H LEU 64 H LEU 64 1.153 4.734 -6.224 427 HA LEU 64 HA LEU 64 1.192 2.179 -4.813 428 HB2 LEU 64 1HB LEU 64 -1.186 3.965 -4.832 429 HB3 LEU 64 2HB LEU 64 -0.564 2.927 -3.565 430 HG LEU 64 HG LEU 64 -0.242 5.103 -2.771 431 HD11 LEU 64 1HD1 LEU 64 2.244 3.834 -3.839 432 HD12 LEU 64 2HD1 LEU 64 2.357 5.455 -3.112 433 HD13 LEU 64 3HD1 LEU 64 1.716 4.095 -2.160 434 HD21 LEU 64 1HD2 LEU 64 -0.230 5.845 -5.470 435 HD22 LEU 64 2HD2 LEU 64 -0.137 6.915 -4.051 436 HD23 LEU 64 3HD2 LEU 64 1.356 6.349 -4.838 437 H GLN 65 H GLN 65 -0.018 0.407 -5.462 438 HA GLN 65 HA GLN 65 -1.288 0.757 -8.064 439 HB2 GLN 65 1HB GLN 65 -0.028 -1.733 -6.831 440 HB3 GLN 65 2HB GLN 65 -0.843 -1.697 -8.382 441 HG2 GLN 65 1HG GLN 65 0.891 0.369 -8.768 442 HG3 GLN 65 2HG GLN 65 1.823 -0.554 -7.607 443 HE21 GLN 65 1HE2 GLN 65 0.893 -0.205 -10.821 444 HE22 GLN 65 2HE2 GLN 65 1.521 -1.678 -11.482 445 H ILE 66 H ILE 66 -3.391 -0.092 -8.411 446 HA ILE 66 HA ILE 66 -5.105 -0.078 -6.253 447 HB ILE 66 HB ILE 66 -5.381 -1.286 -9.004 448 HG12 ILE 66 1HG1 ILE 66 -4.935 1.212 -8.723 449 HG13 ILE 66 2HG1 ILE 66 -6.331 0.745 -9.675 450 HG21 ILE 66 1HG2 ILE 66 -7.903 -0.561 -7.894 451 HG22 ILE 66 2HG2 ILE 66 -7.334 -2.160 -8.429 452 HG23 ILE 66 3HG2 ILE 66 -7.080 -1.643 -6.745 453 HD11 ILE 66 1HD1 ILE 66 -6.764 1.144 -6.727 454 HD12 ILE 66 2HD1 ILE 66 -6.497 2.592 -7.727 455 HD13 ILE 66 3HD1 ILE 66 -7.852 1.496 -8.091 456 H GLY 67 H GLY 67 -4.937 -1.382 -4.499 457 HA2 GLY 67 1HA GLY 67 -5.432 -3.421 -3.492 458 HA3 GLY 67 2HA GLY 67 -5.040 -4.271 -4.974 459 H ASP 68 H ASP 68 -3.048 -1.699 -3.424 460 HA ASP 68 HA ASP 68 -0.711 -3.081 -3.715 461 HB2 ASP 68 1HB ASP 68 -1.506 -0.584 -2.752 462 HB3 ASP 68 2HB ASP 68 -0.824 -1.330 -1.321 463 H ARG 69 H ARG 69 0.488 -2.874 -1.026 464 HA ARG 69 HA ARG 69 -1.095 -4.775 0.480 465 HB2 ARG 69 1HB ARG 69 1.407 -5.762 0.970 466 HB3 ARG 69 2HB ARG 69 0.356 -6.402 -0.278 467 HG2 ARG 69 1HG ARG 69 2.278 -4.104 -0.830 468 HG3 ARG 69 2HG ARG 69 2.782 -5.777 -0.965 469 HD2 ARG 69 1HD ARG 69 0.431 -5.834 -2.416 470 HD3 ARG 69 2HD ARG 69 0.968 -4.196 -2.733 471 HE ARG 69 HE ARG 69 2.323 -6.684 -3.564 472 HH11 ARG 69 2HH2 ARG 69 2.555 -3.193 -3.191 473 HH12 ARG 69 1HH2 ARG 69 3.864 -3.031 -4.313 474 HH21 ARG 69 2HH1 ARG 69 4.051 -6.471 -5.045 475 HH22 ARG 69 1HH1 ARG 69 4.720 -4.909 -5.375 476 H VAL 70 H VAL 70 -1.192 -2.232 1.266 477 HA VAL 70 HA VAL 70 0.793 -0.963 2.543 478 HB VAL 70 HB VAL 70 -2.127 -1.224 2.903 479 HG11 VAL 70 1HG1 VAL 70 -2.008 0.355 4.913 480 HG12 VAL 70 2HG1 VAL 70 -1.657 -1.364 5.216 481 HG13 VAL 70 3HG1 VAL 70 -0.324 -0.189 5.103 482 HG21 VAL 70 1HG2 VAL 70 -1.497 0.461 1.422 483 HG22 VAL 70 2HG2 VAL 70 -1.778 1.357 2.935 484 HG23 VAL 70 3HG2 VAL 70 -0.117 0.971 2.425 485 H MET 71 H MET 71 2.377 -1.751 3.832 486 HA MET 71 HA MET 71 1.857 -4.047 5.431 487 HB2 MET 71 1HB MET 71 4.309 -2.206 5.419 488 HB3 MET 71 2HB MET 71 4.265 -3.872 5.961 489 HG2 MET 71 1HG MET 71 3.638 -3.028 3.092 490 HG3 MET 71 2HG MET 71 5.233 -3.525 3.621 491 HE1 MET 71 1HE MET 71 5.535 -6.828 3.993 492 HE2 MET 71 2HE MET 71 5.627 -5.377 5.020 493 HE3 MET 71 3HE MET 71 4.493 -6.686 5.430 494 H ALA 72 H ALA 72 1.728 -0.576 5.834 495 HA ALA 72 HA ALA 72 0.638 -0.774 8.399 496 HB1 ALA 72 1HB ALA 72 3.583 -0.050 8.235 497 HB2 ALA 72 2HB ALA 72 2.548 0.430 9.601 498 HB3 ALA 72 3HB ALA 72 2.811 -1.294 9.246 499 H ILE 73 H ILE 73 0.196 1.452 9.304 500 HA ILE 73 HA ILE 73 0.397 3.478 7.189 501 HB ILE 73 HB ILE 73 -2.001 2.571 8.745 502 HG12 ILE 73 1HG1 ILE 73 -1.417 3.103 5.822 503 HG13 ILE 73 2HG1 ILE 73 -1.728 1.556 6.585 504 HG21 ILE 73 1HG2 ILE 73 -1.269 5.324 8.178 505 HG22 ILE 73 2HG2 ILE 73 -2.787 4.863 7.370 506 HG23 ILE 73 3HG2 ILE 73 -2.623 4.670 9.132 507 HD11 ILE 73 1HD1 ILE 73 -3.901 1.878 5.992 508 HD12 ILE 73 2HD1 ILE 73 -3.965 3.053 7.327 509 HD13 ILE 73 3HD1 ILE 73 -3.636 3.608 5.668 510 H ASN 74 H ASN 74 1.909 4.864 7.978 511 HA ASN 74 HA ASN 74 2.794 6.385 9.251 512 HB2 ASN 74 1HB ASN 74 0.038 6.354 10.164 513 HB3 ASN 74 2HB ASN 74 1.070 6.577 11.563 514 HD21 ASN 74 1HD2 ASN 74 -0.717 8.234 9.566 515 HD22 ASN 74 2HD2 ASN 74 0.174 9.704 9.354 516 H GLY 75 H GLY 75 2.748 3.281 9.817 517 HA2 GLY 75 1HA GLY 75 4.507 2.360 11.178 518 HA3 GLY 75 2HA GLY 75 4.038 3.445 12.472 519 H ILE 76 H ILE 76 1.063 2.957 11.636 520 HA ILE 76 HA ILE 76 0.555 0.984 13.555 521 HB ILE 76 HB ILE 76 -1.086 2.398 11.478 522 HG12 ILE 76 1HG1 ILE 76 -0.296 3.569 13.554 523 HG13 ILE 76 2HG1 ILE 76 -2.033 3.553 13.322 524 HG21 ILE 76 1HG2 ILE 76 -2.304 0.451 11.454 525 HG22 ILE 76 2HG2 ILE 76 -1.856 0.014 13.120 526 HG23 ILE 76 3HG2 ILE 76 -3.052 1.300 12.828 527 HD11 ILE 76 1HD1 ILE 76 -0.448 1.689 15.149 528 HD12 ILE 76 2HD1 ILE 76 -1.517 3.017 15.660 529 HD13 ILE 76 3HD1 ILE 76 -2.203 1.578 14.868 530 HA PRO 77 HA PRO 77 1.190 -2.547 11.114 531 HB2 PRO 77 1HB PRO 77 0.397 -4.429 12.930 532 HB3 PRO 77 2HB PRO 77 2.004 -3.729 12.915 533 HG2 PRO 77 1HG PRO 77 -0.238 -3.187 14.765 534 HG3 PRO 77 2HG PRO 77 1.467 -2.837 14.974 535 HD2 PRO 77 1HD PRO 77 -0.598 -0.966 14.294 536 HD3 PRO 77 2HD PRO 77 1.121 -0.641 14.389 537 H THR 78 H THR 78 -0.209 -2.209 9.399 538 HA THR 78 HA THR 78 -2.985 -2.512 9.731 539 HB THR 78 HB THR 78 -2.716 -2.821 7.115 540 HG1 THR 78 1HG THR 78 -0.440 -2.012 6.633 541 HG21 THR 78 1HG2 THR 78 -2.456 -0.485 6.814 542 HG22 THR 78 2HG2 THR 78 -3.033 -0.570 8.496 543 HG23 THR 78 3HG2 THR 78 -1.299 -0.347 8.160 544 H GLU 79 H GLU 79 -3.103 -4.430 11.112 545 HA GLU 79 HA GLU 79 -3.873 -6.622 9.631 546 HB2 GLU 79 1HB GLU 79 -1.280 -6.761 9.436 547 HB3 GLU 79 2HB GLU 79 -1.298 -7.227 11.126 548 HG2 GLU 79 1HG GLU 79 -2.700 -9.173 10.652 549 HG3 GLU 79 2HG GLU 79 -2.961 -8.651 9.000 550 H ASP 80 H ASP 80 -4.890 -4.960 11.716 551 HA ASP 80 HA ASP 80 -5.884 -6.878 13.415 552 HB2 ASP 80 1HB ASP 80 -3.498 -6.677 14.349 553 HB3 ASP 80 2HB ASP 80 -3.890 -5.030 14.801 554 H SER 81 H SER 81 -7.288 -5.125 12.020 555 HA SER 81 HA SER 81 -8.428 -3.431 13.965 556 HB2 SER 81 1HB SER 81 -7.186 -2.057 11.544 557 HB3 SER 81 2HB SER 81 -8.089 -1.281 12.829 558 HG SER 81 HG SER 81 -5.709 -1.131 13.023 559 H THR 82 H THR 82 -9.889 -1.702 12.214 560 HA THR 82 HA THR 82 -11.279 -3.668 10.514 561 HB THR 82 HB THR 82 -13.347 -2.774 11.299 562 HG1 THR 82 1HG THR 82 -11.668 -0.637 12.409 563 HG21 THR 82 1HG2 THR 82 -12.231 -3.942 13.213 564 HG22 THR 82 2HG2 THR 82 -11.414 -2.422 13.651 565 HG23 THR 82 3HG2 THR 82 -13.184 -2.550 13.782 566 H PHE 83 H PHE 83 -12.197 -2.922 8.538 567 HA PHE 83 HA PHE 83 -10.605 -1.453 6.969 568 HB2 PHE 83 1HB PHE 83 -12.443 -2.600 5.958 569 HB3 PHE 83 2HB PHE 83 -13.587 -2.000 7.142 570 HD1 PHE 83 1HD PHE 83 -11.510 -0.886 4.264 571 HD2 PHE 83 2HD PHE 83 -14.973 -0.199 6.619 572 HE1 PHE 83 1HE PHE 83 -12.262 0.878 2.645 573 HE2 PHE 83 2HE PHE 83 -15.724 1.565 5.000 574 HZ PHE 83 HZ PHE 83 -14.360 2.083 3.032 575 H GLU 84 H GLU 84 -12.821 -0.225 9.434 576 HA GLU 84 HA GLU 84 -12.895 2.396 8.367 577 HB2 GLU 84 1HB GLU 84 -13.877 1.009 10.834 578 HB3 GLU 84 2HB GLU 84 -13.655 2.743 10.954 579 HG2 GLU 84 1HG GLU 84 -14.963 2.761 8.622 580 HG3 GLU 84 2HG GLU 84 -15.527 1.190 9.156 581 H GLU 85 H GLU 85 -11.204 0.799 11.157 582 HA GLU 85 HA GLU 85 -9.940 2.828 12.270 583 HB2 GLU 85 1HB GLU 85 -9.128 0.001 11.685 584 HB3 GLU 85 2HB GLU 85 -7.874 1.071 12.279 585 HG2 GLU 85 1HG GLU 85 -10.585 0.769 13.648 586 HG3 GLU 85 2HG GLU 85 -9.188 -0.197 14.077 587 H ALA 86 H ALA 86 -8.377 0.962 9.558 588 HA ALA 86 HA ALA 86 -6.262 2.574 9.100 589 HB1 ALA 86 1HB ALA 86 -7.722 0.521 7.726 590 HB2 ALA 86 2HB ALA 86 -7.317 1.798 6.554 591 HB3 ALA 86 3HB ALA 86 -6.028 1.017 7.500 592 H ASN 87 H ASN 87 -9.451 2.873 7.367 593 HA ASN 87 HA ASN 87 -8.972 5.073 5.962 594 HB2 ASN 87 1HB ASN 87 -11.542 4.678 7.578 595 HB3 ASN 87 2HB ASN 87 -11.392 5.535 6.057 596 HD21 ASN 87 1HD2 ASN 87 -13.184 3.471 6.461 597 HD22 ASN 87 2HD2 ASN 87 -12.765 2.108 5.478 598 H GLN 88 H GLN 88 -9.821 4.836 9.467 599 HA GLN 88 HA GLN 88 -10.106 7.578 9.873 600 HB2 GLN 88 1HB GLN 88 -10.394 5.215 11.387 601 HB3 GLN 88 2HB GLN 88 -9.153 6.119 12.231 602 HG2 GLN 88 1HG GLN 88 -11.465 6.687 13.023 603 HG3 GLN 88 2HG GLN 88 -10.603 8.083 12.409 604 HE21 GLN 88 1HE2 GLN 88 -12.371 5.380 10.901 605 HE22 GLN 88 2HE2 GLN 88 -13.452 6.334 9.941 606 H LEU 89 H LEU 89 -7.318 5.308 10.195 607 HA LEU 89 HA LEU 89 -5.517 6.970 11.406 608 HB2 LEU 89 1HB LEU 89 -4.894 5.014 9.194 609 HB3 LEU 89 2HB LEU 89 -3.810 5.575 10.451 610 HG LEU 89 HG LEU 89 -6.173 3.715 10.716 611 HD11 LEU 89 1HD1 LEU 89 -4.454 2.245 11.765 612 HD12 LEU 89 2HD1 LEU 89 -4.141 2.625 10.054 613 HD13 LEU 89 3HD1 LEU 89 -3.219 3.453 11.332 614 HD21 LEU 89 1HD2 LEU 89 -4.783 5.304 12.864 615 HD22 LEU 89 2HD2 LEU 89 -6.524 5.056 12.588 616 HD23 LEU 89 3HD2 LEU 89 -5.523 3.722 13.210 617 H LEU 90 H LEU 90 -6.682 6.948 8.031 618 HA LEU 90 HA LEU 90 -4.689 8.735 7.094 619 HB2 LEU 90 1HB LEU 90 -7.275 7.642 6.055 620 HB3 LEU 90 2HB LEU 90 -6.523 9.000 5.242 621 HG LEU 90 HG LEU 90 -5.904 6.953 4.138 622 HD11 LEU 90 1HD1 LEU 90 -3.958 7.915 3.699 623 HD12 LEU 90 2HD1 LEU 90 -4.018 8.796 5.245 624 HD13 LEU 90 3HD1 LEU 90 -3.270 7.183 5.169 625 HD21 LEU 90 1HD2 LEU 90 -5.809 5.889 6.780 626 HD22 LEU 90 2HD2 LEU 90 -5.676 5.035 5.224 627 HD23 LEU 90 3HD2 LEU 90 -4.213 5.654 6.028 628 H ARG 91 H ARG 91 -8.220 9.161 7.858 629 HA ARG 91 HA ARG 91 -8.393 11.794 7.457 630 HB2 ARG 91 1HB ARG 91 -9.651 10.030 9.599 631 HB3 ARG 91 2HB ARG 91 -10.087 11.722 9.463 632 HG2 ARG 91 1HG ARG 91 -10.254 10.837 6.815 633 HG3 ARG 91 2HG ARG 91 -10.820 9.446 7.717 634 HD2 ARG 91 1HD ARG 91 -12.615 10.665 8.720 635 HD3 ARG 91 2HD ARG 91 -11.881 12.218 8.369 636 HE ARG 91 HE ARG 91 -13.606 10.727 6.613 637 HH11 ARG 91 2HH2 ARG 91 -10.737 12.764 6.553 638 HH12 ARG 91 1HH2 ARG 91 -11.004 13.312 4.932 639 HH21 ARG 91 2HH1 ARG 91 -13.958 11.449 4.473 640 HH22 ARG 91 1HH1 ARG 91 -12.848 12.559 3.741 641 H ASP 92 H ASP 92 -7.277 10.135 10.486 642 HA ASP 92 HA ASP 92 -6.950 12.382 12.010 643 HB2 ASP 92 1HB ASP 92 -6.415 9.635 12.233 644 HB3 ASP 92 2HB ASP 92 -4.827 10.358 12.386 645 H SER 93 H SER 93 -4.422 10.487 10.173 646 HA SER 93 HA SER 93 -2.298 12.051 10.569 647 HB2 SER 93 1HB SER 93 -3.086 10.756 7.920 648 HB3 SER 93 2HB SER 93 -1.462 11.254 8.353 649 HG SER 93 HG SER 93 -2.092 9.754 10.381 650 H SER 94 H SER 94 -5.053 12.641 8.350 651 HA SER 94 HA SER 94 -4.076 14.563 6.756 652 HB2 SER 94 1HB SER 94 -6.464 13.549 6.936 653 HB3 SER 94 2HB SER 94 -6.799 14.834 8.079 654 HG SER 94 HG SER 94 -6.210 15.012 5.278 655 H ILE 95 H ILE 95 -4.596 14.696 10.232 656 HA ILE 95 HA ILE 95 -4.933 17.408 10.624 657 HB ILE 95 HB ILE 95 -3.829 15.141 12.218 658 HG12 ILE 95 1HG1 ILE 95 -6.013 17.060 12.999 659 HG13 ILE 95 2HG1 ILE 95 -6.326 15.798 11.825 660 HG21 ILE 95 1HG2 ILE 95 -3.554 18.063 12.925 661 HG22 ILE 95 2HG2 ILE 95 -3.626 16.783 14.159 662 HG23 ILE 95 3HG2 ILE 95 -2.317 16.784 12.953 663 HD11 ILE 95 1HD1 ILE 95 -6.105 15.583 14.714 664 HD12 ILE 95 2HD1 ILE 95 -6.628 14.352 13.539 665 HD13 ILE 95 3HD1 ILE 95 -4.902 14.527 13.935 666 H THR 96 H THR 96 -1.813 15.537 10.720 667 HA THR 96 HA THR 96 -0.295 17.964 10.627 668 HB THR 96 HB THR 96 0.395 15.860 11.837 669 HG1 THR 96 1HG THR 96 1.999 16.606 9.493 670 HG21 THR 96 1HG2 THR 96 1.443 14.062 10.401 671 HG22 THR 96 2HG2 THR 96 -0.326 14.129 10.222 672 HG23 THR 96 3HG2 THR 96 0.722 14.833 8.968 673 H SER 97 H SER 97 -2.157 16.483 8.309 674 HA SER 97 HA SER 97 -2.254 16.598 6.145 675 HB2 SER 97 1HB SER 97 -0.660 18.987 6.873 676 HB3 SER 97 2HB SER 97 -0.430 18.480 5.212 677 HG SER 97 HG SER 97 -2.446 19.915 6.147 678 H LYS 98 H LYS 98 -0.393 14.701 7.380 679 HA LYS 98 HA LYS 98 1.101 14.039 5.028 680 HB2 LYS 98 1HB LYS 98 2.438 15.670 6.785 681 HB3 LYS 98 2HB LYS 98 2.900 14.083 7.366 682 HG2 LYS 98 1HG LYS 98 4.115 13.589 5.475 683 HG3 LYS 98 2HG LYS 98 2.956 14.349 4.403 684 HD2 LYS 98 1HD LYS 98 4.003 16.519 5.841 685 HD3 LYS 98 2HD LYS 98 5.396 15.477 5.629 686 HE2 LYS 98 1HE LYS 98 5.258 15.552 3.253 687 HE3 LYS 98 2HE LYS 98 3.581 16.060 3.268 688 HZ1 LYS 98 1HZ LYS 98 5.584 17.784 4.485 689 HZ2 LYS 98 2HZ LYS 98 5.436 17.765 2.859 690 HZ3 LYS 98 3HZ LYS 98 4.162 18.186 3.790 691 H VAL 99 H VAL 99 1.245 11.833 4.829 692 HA VAL 99 HA VAL 99 0.785 10.263 7.254 693 HB VAL 99 HB VAL 99 -1.372 10.578 6.159 694 HG11 VAL 99 1HG1 VAL 99 -1.369 9.106 3.845 695 HG12 VAL 99 2HG1 VAL 99 -1.306 10.883 3.927 696 HG13 VAL 99 3HG1 VAL 99 0.196 9.946 3.743 697 HG21 VAL 99 1HG2 VAL 99 -0.116 8.070 6.751 698 HG22 VAL 99 2HG2 VAL 99 -1.826 8.535 6.924 699 HG23 VAL 99 3HG2 VAL 99 -1.244 7.839 5.393 700 H THR 100 H THR 100 1.788 8.197 7.234 701 HA THR 100 HA THR 100 3.634 7.820 4.967 702 HB THR 100 HB THR 100 3.943 7.585 7.980 703 HG1 THR 100 1HG THR 100 5.906 8.749 7.246 704 HG21 THR 100 1HG2 THR 100 4.826 5.432 7.277 705 HG22 THR 100 2HG2 THR 100 5.538 6.141 5.808 706 HG23 THR 100 3HG2 THR 100 6.223 6.528 7.404 707 H LEU 101 H LEU 101 2.500 6.424 3.679 708 HA LEU 101 HA LEU 101 1.295 4.111 4.968 709 HB2 LEU 101 1HB LEU 101 1.188 5.204 2.157 710 HB3 LEU 101 2HB LEU 101 0.468 3.677 2.628 711 HG LEU 101 HG LEU 101 -0.361 5.889 4.361 712 HD11 LEU 101 1HD1 LEU 101 -1.058 6.042 1.415 713 HD12 LEU 101 2HD1 LEU 101 -1.803 7.002 2.716 714 HD13 LEU 101 3HD1 LEU 101 -0.077 7.209 2.334 715 HD21 LEU 101 1HD2 LEU 101 -2.292 4.360 2.702 716 HD22 LEU 101 2HD2 LEU 101 -1.289 3.425 3.837 717 HD23 LEU 101 3HD2 LEU 101 -2.315 4.750 4.438 718 H GLU 102 H GLU 102 2.494 2.326 5.304 719 HA GLU 102 HA GLU 102 4.959 2.068 3.883 720 HB2 GLU 102 1HB GLU 102 4.569 1.543 6.374 721 HB3 GLU 102 2HB GLU 102 3.740 0.091 5.851 722 HG2 GLU 102 1HG GLU 102 5.835 -0.841 5.968 723 HG3 GLU 102 2HG GLU 102 6.019 -0.150 4.368 724 H ILE 103 H ILE 103 5.192 0.994 1.972 725 HA ILE 103 HA ILE 103 3.125 -0.990 1.323 726 HB ILE 103 HB ILE 103 4.714 0.778 -0.540 727 HG12 ILE 103 1HG1 ILE 103 2.934 1.896 0.895 728 HG13 ILE 103 2HG1 ILE 103 2.800 2.100 -0.840 729 HG21 ILE 103 1HG2 ILE 103 2.733 -1.440 -1.000 730 HG22 ILE 103 2HG2 ILE 103 2.923 -0.118 -2.177 731 HG23 ILE 103 3HG2 ILE 103 4.313 -1.152 -1.769 732 HD11 ILE 103 1HD1 ILE 103 0.591 1.564 -0.076 733 HD12 ILE 103 2HD1 ILE 103 1.206 0.075 -0.833 734 HD13 ILE 103 3HD1 ILE 103 1.188 0.230 0.940 735 H GLU 104 H GLU 104 3.941 -2.753 -0.201 736 HA GLU 104 HA GLU 104 6.748 -3.292 0.340 737 HB2 GLU 104 1HB GLU 104 5.728 -4.690 1.946 738 HB3 GLU 104 2HB GLU 104 4.360 -5.056 0.914 739 HG2 GLU 104 1HG GLU 104 5.489 -6.715 -0.243 740 HG3 GLU 104 2HG GLU 104 7.029 -5.885 -0.154 741 H PHE 105 H PHE 105 7.881 -3.885 -1.477 742 HA PHE 105 HA PHE 105 6.317 -4.925 -3.723 743 HB2 PHE 105 1HB PHE 105 7.929 -3.451 -5.129 744 HB3 PHE 105 2HB PHE 105 6.726 -2.568 -4.209 745 HD1 PHE 105 1HD PHE 105 7.494 -1.793 -1.815 746 HD2 PHE 105 2HD PHE 105 10.150 -2.821 -4.961 747 HE1 PHE 105 1HE PHE 105 9.314 -0.460 -0.715 748 HE2 PHE 105 2HE PHE 105 11.969 -1.488 -3.861 749 HZ PHE 105 HZ PHE 105 11.530 -0.323 -1.751 750 H ASP 106 H ASP 106 8.088 -5.593 -5.551 751 HA ASP 106 HA ASP 106 9.772 -7.447 -4.133 752 HB2 ASP 106 1HB ASP 106 10.172 -8.297 -6.549 753 HB3 ASP 106 2HB ASP 106 8.563 -8.496 -5.882 754 H VAL 107 H VAL 107 12.099 -7.726 -4.883 755 HA VAL 107 HA VAL 107 13.175 -5.254 -6.048 756 HB VAL 107 HB VAL 107 14.260 -6.847 -3.717 757 HG11 VAL 107 1HG1 VAL 107 15.422 -4.241 -4.665 758 HG12 VAL 107 2HG1 VAL 107 16.177 -5.547 -3.720 759 HG13 VAL 107 3HG1 VAL 107 15.890 -5.761 -5.463 760 HG21 VAL 107 1HG2 VAL 107 12.399 -4.671 -3.846 761 HG22 VAL 107 2HG2 VAL 107 13.063 -5.493 -2.414 762 HG23 VAL 107 3HG2 VAL 107 13.910 -4.088 -3.107 763 H ALA 108 H ALA 108 14.927 -5.519 -7.485 764 HA ALA 108 HA ALA 108 14.966 -7.960 -8.867 765 HB1 ALA 108 1HB ALA 108 16.002 -6.676 -10.403 766 HB2 ALA 108 2HB ALA 108 15.802 -5.320 -9.268 767 HB3 ALA 108 3HB ALA 108 17.313 -6.261 -9.273 768 H GLU 109 H GLU 109 16.218 -9.777 -8.661 769 HA GLU 109 HA GLU 109 18.265 -9.623 -6.588 770 HB2 GLU 109 1HB GLU 109 16.088 -11.538 -7.096 771 HB3 GLU 109 2HB GLU 109 17.641 -12.337 -6.943 772 HG2 GLU 109 1HG GLU 109 16.807 -10.217 -4.934 773 HG3 GLU 109 2HG GLU 109 16.226 -11.863 -4.773 774 H SER 110 H SER 110 20.023 -11.440 -6.911 775 HA SER 110 HA SER 110 20.859 -11.180 -9.667 776 HB2 SER 110 1HB SER 110 22.286 -10.631 -7.513 777 HB3 SER 110 2HB SER 110 22.549 -12.362 -7.450 778 HG SER 110 HG SER 110 23.937 -10.644 -8.881 779 H VAL 111 H VAL 111 19.881 -12.820 -10.870 780 HA VAL 111 HA VAL 111 20.786 -15.482 -10.361 781 HB VAL 111 HB VAL 111 18.946 -15.431 -8.803 782 HG11 VAL 111 1HG1 VAL 111 17.302 -14.448 -11.156 783 HG12 VAL 111 2HG1 VAL 111 16.599 -15.071 -9.644 784 HG13 VAL 111 3HG1 VAL 111 17.616 -13.610 -9.617 785 HG21 VAL 111 1HG2 VAL 111 18.971 -17.569 -9.583 786 HG22 VAL 111 2HG2 VAL 111 17.368 -17.103 -10.202 787 HG23 VAL 111 3HG2 VAL 111 18.783 -17.073 -11.282 788 H ILE 112 H ILE 112 21.097 -16.464 -12.310 789 HA ILE 112 HA ILE 112 20.713 -15.054 -14.660 790 HB ILE 112 HB ILE 112 21.271 -17.181 -15.766 791 HG12 ILE 112 1HG1 ILE 112 21.794 -18.683 -13.314 792 HG13 ILE 112 2HG1 ILE 112 20.085 -18.370 -13.545 793 HG21 ILE 112 1HG2 ILE 112 23.388 -16.674 -15.343 794 HG22 ILE 112 2HG2 ILE 112 22.837 -15.647 -13.998 795 HG23 ILE 112 3HG2 ILE 112 23.271 -17.347 -13.699 796 HD11 ILE 112 1HD1 ILE 112 21.875 -19.466 -15.757 797 HD12 ILE 112 2HD1 ILE 112 20.947 -20.501 -14.645 798 HD13 ILE 112 3HD1 ILE 112 20.097 -19.387 -15.743 799 HA PRO 113 HA PRO 113 16.531 -15.760 -15.511 800 HB2 PRO 113 1HB PRO 113 16.455 -14.936 -18.116 801 HB3 PRO 113 2HB PRO 113 16.395 -13.830 -16.758 802 HG2 PRO 113 1HG PRO 113 18.647 -14.402 -18.586 803 HG3 PRO 113 2HG PRO 113 18.420 -13.030 -17.520 804 HD2 PRO 113 1HD PRO 113 20.151 -15.275 -17.083 805 HD3 PRO 113 2HD PRO 113 19.837 -13.962 -15.967 806 H SER 114 H SER 114 15.073 -16.693 -17.448 807 HA SER 114 HA SER 114 16.300 -19.299 -17.838 808 HB2 SER 114 1HB SER 114 13.939 -20.078 -18.226 809 HB3 SER 114 2HB SER 114 14.203 -19.410 -16.628 810 HG SER 114 HG SER 114 12.291 -18.494 -17.389 811 H SER 115 H SER 115 15.507 -20.441 -19.971 812 HA SER 115 HA SER 115 15.439 -18.429 -22.081 813 HB2 SER 115 1HB SER 115 16.841 -21.123 -22.296 814 HB3 SER 115 2HB SER 115 16.915 -19.797 -23.439 815 HG SER 115 HG SER 115 18.391 -20.218 -21.124 816 H GLY 116 H GLY 116 13.444 -18.548 -23.045 817 HA2 GLY 116 1HA GLY 116 12.332 -20.240 -24.611 818 HA3 GLY 116 2HA GLY 116 12.115 -21.177 -23.147 819 H SER 117 H SER 117 11.592 -17.803 -24.398 820 HA SER 117 HA SER 117 8.901 -17.953 -23.426 821 HB2 SER 117 1HB SER 117 10.822 -16.810 -21.749 822 HB3 SER 117 2HB SER 117 10.150 -15.416 -22.572 823 HG SER 117 HG SER 117 9.010 -16.049 -20.572 824 H GLY 118 H GLY 118 7.734 -17.264 -25.179 825 HA2 GLY 118 1HA GLY 118 8.782 -14.952 -26.692 826 HA3 GLY 118 2HA GLY 118 8.208 -16.395 -27.503 827 HA PRO 119 HA PRO 119 4.440 -14.371 -25.445 828 HB2 PRO 119 1HB PRO 119 4.719 -11.973 -24.164 829 HB3 PRO 119 2HB PRO 119 4.734 -13.513 -23.328 830 HG2 PRO 119 1HG PRO 119 7.002 -11.725 -23.958 831 HG3 PRO 119 2HG PRO 119 6.921 -13.023 -22.784 832 HD2 PRO 119 1HD PRO 119 8.208 -13.104 -25.346 833 HD3 PRO 119 2HD PRO 119 8.027 -14.436 -24.221 834 H SER 120 H SER 120 2.852 -12.575 -25.969 835 HA SER 120 HA SER 120 3.753 -10.577 -27.678 836 HB2 SER 120 1HB SER 120 3.683 -13.053 -28.972 837 HB3 SER 120 2HB SER 120 2.135 -12.352 -29.400 838 HG SER 120 HG SER 120 4.466 -10.706 -29.595 839 H SER 121 H SER 121 2.323 -9.314 -26.399 840 HA SER 121 HA SER 121 0.450 -8.478 -25.679 841 HB2 SER 121 1HB SER 121 0.206 -8.194 -28.204 842 HB3 SER 121 2HB SER 121 -0.824 -9.612 -28.206 843 HG SER 121 HG SER 121 -1.385 -7.395 -26.455 844 H GLY 122 H GLY 122 -0.044 -9.671 -23.809 845 HA2 GLY 122 1HA GLY 122 -2.361 -10.954 -23.452 846 HA3 GLY 122 2HA GLY 122 -1.350 -12.254 -24.052 Start of MODEL 20 1 H1 GLY 1 H GLY 1 31.599 -19.468 19.431 2 HA2 GLY 1 1HA GLY 1 30.908 -19.518 17.208 3 HA3 GLY 1 2HA GLY 1 30.023 -18.022 17.430 4 H SER 2 H SER 2 31.469 -17.966 15.211 5 HA SER 2 HA SER 2 34.056 -16.850 15.902 6 HB2 SER 2 1HB SER 2 32.958 -17.498 13.133 7 HB3 SER 2 2HB SER 2 34.623 -17.133 13.541 8 HG SER 2 HG SER 2 34.940 -19.157 14.200 9 H SER 3 H SER 3 34.707 -14.744 15.013 10 HA SER 3 HA SER 3 32.397 -13.027 14.727 11 HB2 SER 3 1HB SER 3 35.214 -12.698 15.665 12 HB3 SER 3 2HB SER 3 34.540 -11.321 14.816 13 HG SER 3 HG SER 3 33.103 -10.963 16.416 14 H GLY 4 H GLY 4 32.317 -11.391 12.991 15 HA2 GLY 4 1HA GLY 4 32.762 -10.546 10.931 16 HA3 GLY 4 2HA GLY 4 34.222 -11.510 10.842 17 H SER 5 H SER 5 30.832 -11.283 9.993 18 HA SER 5 HA SER 5 31.101 -13.856 8.645 19 HB2 SER 5 1HB SER 5 28.594 -12.631 9.878 20 HB3 SER 5 2HB SER 5 28.595 -14.073 8.882 21 HG SER 5 HG SER 5 28.985 -13.940 11.518 22 H SER 6 H SER 6 29.699 -14.001 6.610 23 HA SER 6 HA SER 6 29.953 -11.497 5.225 24 HB2 SER 6 1HB SER 6 30.181 -14.257 4.533 25 HB3 SER 6 2HB SER 6 28.826 -13.636 3.611 26 HG SER 6 HG SER 6 31.254 -13.415 2.840 27 H GLY 7 H GLY 7 28.087 -10.948 3.592 28 HA2 GLY 7 1HA GLY 7 25.513 -11.300 5.007 29 HA3 GLY 7 2HA GLY 7 25.993 -9.855 4.139 30 H ALA 8 H ALA 8 24.016 -12.494 3.924 31 HA ALA 8 HA ALA 8 23.687 -12.155 1.107 32 HB1 ALA 8 1HB ALA 8 24.492 -14.913 2.100 33 HB2 ALA 8 2HB ALA 8 24.208 -14.399 0.420 34 HB3 ALA 8 3HB ALA 8 25.623 -13.788 1.311 35 H GLY 9 H GLY 9 21.825 -13.685 0.350 36 HA2 GLY 9 1HA GLY 9 20.146 -14.812 2.366 37 HA3 GLY 9 2HA GLY 9 19.580 -13.229 1.870 38 H GLN 10 H GLN 10 19.991 -16.602 0.954 39 HA GLN 10 HA GLN 10 19.715 -16.528 -1.727 40 HB2 GLN 10 1HB GLN 10 18.761 -18.779 -1.551 41 HB3 GLN 10 2HB GLN 10 20.036 -18.585 -0.366 42 HG2 GLN 10 1HG GLN 10 18.321 -18.078 1.391 43 HG3 GLN 10 2HG GLN 10 17.048 -18.284 0.203 44 HE21 GLN 10 1HE2 GLN 10 16.657 -19.815 2.183 45 HE22 GLN 10 2HE2 GLN 10 17.139 -21.463 1.952 46 H VAL 11 H VAL 11 17.522 -17.459 -2.867 47 HA VAL 11 HA VAL 11 15.588 -16.784 -3.717 48 HB VAL 11 HB VAL 11 14.914 -18.060 -1.697 49 HG11 VAL 11 1HG1 VAL 11 15.625 -16.812 0.151 50 HG12 VAL 11 2HG1 VAL 11 14.917 -15.302 -0.472 51 HG13 VAL 11 3HG1 VAL 11 13.859 -16.588 0.156 52 HG21 VAL 11 1HG2 VAL 11 13.339 -16.924 -3.455 53 HG22 VAL 11 2HG2 VAL 11 12.651 -17.636 -1.976 54 HG23 VAL 11 3HG2 VAL 11 12.884 -15.875 -2.091 55 H VAL 12 H VAL 12 13.791 -14.948 -3.635 56 HA VAL 12 HA VAL 12 15.270 -12.496 -3.738 57 HB VAL 12 HB VAL 12 13.482 -13.352 -5.348 58 HG11 VAL 12 1HG1 VAL 12 11.435 -13.759 -4.565 59 HG12 VAL 12 2HG1 VAL 12 11.908 -13.176 -2.951 60 HG13 VAL 12 3HG1 VAL 12 11.264 -12.035 -4.156 61 HG21 VAL 12 1HG2 VAL 12 13.479 -11.261 -6.144 62 HG22 VAL 12 2HG2 VAL 12 12.563 -10.651 -4.744 63 HG23 VAL 12 3HG2 VAL 12 14.336 -10.787 -4.657 64 H HIS 13 H HIS 13 14.351 -10.458 -2.701 65 HA HIS 13 HA HIS 13 13.275 -11.128 -0.059 66 HB2 HIS 13 1HB HIS 13 14.683 -9.461 0.946 67 HB3 HIS 13 2HB HIS 13 15.680 -10.595 0.057 68 HD1 HIS 13 1HD HIS 13 17.198 -9.659 -1.752 69 HD2 HIS 13 2HD HIS 13 14.374 -6.873 -0.386 70 HE1 HIS 13 1HE HIS 13 17.840 -7.420 -2.794 71 H THR 14 H THR 14 12.242 -9.106 1.007 72 HA THR 14 HA THR 14 10.876 -7.556 -1.097 73 HB THR 14 HB THR 14 9.029 -7.601 0.849 74 HG1 THR 14 1HG THR 14 10.082 -8.830 2.415 75 HG21 THR 14 1HG2 THR 14 7.984 -9.516 -0.164 76 HG22 THR 14 2HG2 THR 14 8.936 -8.781 -1.477 77 HG23 THR 14 3HG2 THR 14 9.552 -10.219 -0.628 78 H GLU 15 H GLU 15 10.796 -5.371 -0.912 79 HA GLU 15 HA GLU 15 12.007 -4.325 1.530 80 HB2 GLU 15 1HB GLU 15 12.271 -3.364 -1.348 81 HB3 GLU 15 2HB GLU 15 12.757 -2.386 0.022 82 HG2 GLU 15 1HG GLU 15 14.072 -4.640 0.705 83 HG3 GLU 15 2HG GLU 15 13.976 -4.939 -1.019 84 H THR 16 H THR 16 11.094 -2.392 2.432 85 HA THR 16 HA THR 16 8.378 -1.861 1.443 86 HB THR 16 HB THR 16 8.527 -0.754 3.953 87 HG1 THR 16 1HG THR 16 10.023 -2.073 5.125 88 HG21 THR 16 1HG2 THR 16 8.102 -3.691 3.208 89 HG22 THR 16 2HG2 THR 16 7.799 -3.048 4.840 90 HG23 THR 16 3HG2 THR 16 6.846 -2.455 3.458 91 H THR 17 H THR 17 7.673 0.179 0.913 92 HA THR 17 HA THR 17 9.800 2.219 0.854 93 HB THR 17 HB THR 17 9.121 1.275 -1.386 94 HG1 THR 17 1HG THR 17 9.745 3.546 -1.095 95 HG21 THR 17 1HG2 THR 17 6.816 2.257 -2.166 96 HG22 THR 17 2HG2 THR 17 6.790 0.745 -1.228 97 HG23 THR 17 3HG2 THR 17 6.410 2.291 -0.433 98 H GLU 18 H GLU 18 9.287 4.366 1.377 99 HA GLU 18 HA GLU 18 6.824 4.524 2.921 100 HB2 GLU 18 1HB GLU 18 8.790 4.907 4.285 101 HB3 GLU 18 2HB GLU 18 9.456 6.039 3.125 102 HG2 GLU 18 1HG GLU 18 6.844 7.010 3.772 103 HG3 GLU 18 2HG GLU 18 7.580 6.542 5.292 104 H VAL 19 H VAL 19 5.181 5.795 2.168 105 HA VAL 19 HA VAL 19 5.890 7.738 0.081 106 HB VAL 19 HB VAL 19 3.193 6.466 0.514 107 HG11 VAL 19 1HG1 VAL 19 3.898 7.125 -2.212 108 HG12 VAL 19 2HG1 VAL 19 2.547 7.718 -1.217 109 HG13 VAL 19 3HG1 VAL 19 4.125 8.539 -1.155 110 HG21 VAL 19 1HG2 VAL 19 5.626 5.342 -0.808 111 HG22 VAL 19 2HG2 VAL 19 4.308 4.519 0.059 112 HG23 VAL 19 3HG2 VAL 19 4.054 5.095 -1.606 113 H VAL 20 H VAL 20 6.040 9.734 0.984 114 HA VAL 20 HA VAL 20 4.333 10.351 3.250 115 HB VAL 20 HB VAL 20 6.849 10.824 3.034 116 HG11 VAL 20 1HG1 VAL 20 6.420 11.924 0.707 117 HG12 VAL 20 2HG1 VAL 20 5.984 13.362 1.661 118 HG13 VAL 20 3HG1 VAL 20 7.610 12.653 1.812 119 HG21 VAL 20 1HG2 VAL 20 5.142 13.209 3.789 120 HG22 VAL 20 2HG2 VAL 20 5.217 11.725 4.769 121 HG23 VAL 20 3HG2 VAL 20 6.690 12.687 4.497 122 H LEU 21 H LEU 21 2.266 10.887 2.716 123 HA LEU 21 HA LEU 21 1.922 12.595 0.358 124 HB2 LEU 21 1HB LEU 21 -0.112 10.891 1.802 125 HB3 LEU 21 2HB LEU 21 -0.382 11.822 0.342 126 HG LEU 21 HG LEU 21 1.663 9.600 0.470 127 HD11 LEU 21 1HD1 LEU 21 -1.220 9.365 0.567 128 HD12 LEU 21 2HD1 LEU 21 -0.569 8.643 -0.924 129 HD13 LEU 21 3HD1 LEU 21 0.033 8.104 0.662 130 HD21 LEU 21 1HD2 LEU 21 1.845 11.240 -1.375 131 HD22 LEU 21 2HD2 LEU 21 1.475 9.593 -1.939 132 HD23 LEU 21 3HD2 LEU 21 0.190 10.823 -1.879 133 H THR 22 H THR 22 1.084 14.643 0.555 134 HA THR 22 HA THR 22 0.642 15.539 3.315 135 HB THR 22 HB THR 22 1.044 17.290 0.857 136 HG1 THR 22 1HG THR 22 3.155 16.586 0.878 137 HG21 THR 22 1HG2 THR 22 0.573 18.432 3.025 138 HG22 THR 22 2HG2 THR 22 1.878 17.500 3.799 139 HG23 THR 22 3HG2 THR 22 2.265 18.695 2.537 140 H ALA 23 H ALA 23 -1.414 15.471 3.973 141 HA ALA 23 HA ALA 23 -3.626 15.141 2.476 142 HB1 ALA 23 1HB ALA 23 -4.841 15.809 4.392 143 HB2 ALA 23 2HB ALA 23 -3.281 15.248 5.040 144 HB3 ALA 23 3HB ALA 23 -3.602 16.991 4.875 145 H ASP 24 H ASP 24 -3.848 16.211 0.520 146 HA ASP 24 HA ASP 24 -3.136 18.744 -0.034 147 HB2 ASP 24 1HB ASP 24 -4.741 16.696 -1.224 148 HB3 ASP 24 2HB ASP 24 -5.697 18.163 -1.304 149 HA PRO 25 HA PRO 25 -6.213 21.325 1.741 150 HB2 PRO 25 1HB PRO 25 -6.838 23.163 -0.183 151 HB3 PRO 25 2HB PRO 25 -5.378 23.246 0.783 152 HG2 PRO 25 1HG PRO 25 -5.688 22.425 -2.040 153 HG3 PRO 25 2HG PRO 25 -4.235 22.918 -1.193 154 HD2 PRO 25 1HD PRO 25 -4.992 20.240 -1.884 155 HD3 PRO 25 2HD PRO 25 -3.599 20.724 -0.937 156 H VAL 26 H VAL 26 -7.083 19.482 -0.942 157 HA VAL 26 HA VAL 26 -9.881 19.753 -0.102 158 HB VAL 26 HB VAL 26 -8.690 19.839 -2.861 159 HG11 VAL 26 1HG1 VAL 26 -10.856 19.387 -3.845 160 HG12 VAL 26 2HG1 VAL 26 -10.391 18.018 -2.807 161 HG13 VAL 26 3HG1 VAL 26 -11.593 19.200 -2.236 162 HG21 VAL 26 1HG2 VAL 26 -9.210 21.941 -1.570 163 HG22 VAL 26 2HG2 VAL 26 -10.043 21.796 -3.136 164 HG23 VAL 26 3HG2 VAL 26 -10.926 21.473 -1.625 165 H THR 27 H THR 27 -7.701 17.764 -2.234 166 HA THR 27 HA THR 27 -9.067 15.383 -1.217 167 HB THR 27 HB THR 27 -7.855 14.332 -3.197 168 HG1 THR 27 1HG THR 27 -6.101 15.848 -3.325 169 HG21 THR 27 1HG2 THR 27 -10.096 16.028 -3.279 170 HG22 THR 27 2HG2 THR 27 -9.017 16.707 -4.521 171 HG23 THR 27 3HG2 THR 27 -9.527 15.004 -4.619 172 H GLY 28 H GLY 28 -7.994 15.876 0.940 173 HA2 GLY 28 1HA GLY 28 -5.570 15.983 1.785 174 HA3 GLY 28 2HA GLY 28 -6.591 14.679 2.359 175 H PHE 29 H PHE 29 -6.354 12.523 1.494 176 HA PHE 29 HA PHE 29 -3.807 12.185 0.074 177 HB2 PHE 29 1HB PHE 29 -5.383 10.161 1.758 178 HB3 PHE 29 2HB PHE 29 -3.695 10.051 1.298 179 HD1 PHE 29 1HD PHE 29 -2.212 12.097 2.163 180 HD2 PHE 29 2HD PHE 29 -5.866 10.828 3.910 181 HE1 PHE 29 1HE PHE 29 -1.550 13.175 4.331 182 HE2 PHE 29 2HE PHE 29 -5.204 11.906 6.078 183 HZ PHE 29 HZ PHE 29 -3.054 13.067 6.262 184 H GLY 30 H GLY 30 -7.282 11.622 0.061 185 HA2 GLY 30 1HA GLY 30 -8.650 10.548 -1.368 186 HA3 GLY 30 2HA GLY 30 -7.501 11.029 -2.600 187 H ILE 31 H ILE 31 -7.860 8.543 0.033 188 HA ILE 31 HA ILE 31 -6.963 6.555 -1.918 189 HB ILE 31 HB ILE 31 -5.989 6.627 0.935 190 HG12 ILE 31 1HG1 ILE 31 -4.500 7.528 -1.549 191 HG13 ILE 31 2HG1 ILE 31 -5.160 8.598 -0.329 192 HG21 ILE 31 1HG2 ILE 31 -6.128 4.522 -0.791 193 HG22 ILE 31 2HG2 ILE 31 -4.503 5.157 -1.143 194 HG23 ILE 31 3HG2 ILE 31 -4.935 4.690 0.520 195 HD11 ILE 31 1HD1 ILE 31 -3.767 7.152 1.372 196 HD12 ILE 31 2HD1 ILE 31 -2.876 6.624 -0.077 197 HD13 ILE 31 3HD1 ILE 31 -2.920 8.349 0.362 198 H GLN 32 H GLN 32 -7.914 4.485 -1.667 199 HA GLN 32 HA GLN 32 -9.976 4.400 0.390 200 HB2 GLN 32 1HB GLN 32 -10.227 4.044 -2.574 201 HB3 GLN 32 2HB GLN 32 -11.150 2.936 -1.578 202 HG2 GLN 32 1HG GLN 32 -11.585 5.421 -0.343 203 HG3 GLN 32 2HG GLN 32 -11.567 5.820 -2.049 204 HE21 GLN 32 1HE2 GLN 32 -13.758 5.811 -0.129 205 HE22 GLN 32 2HE2 GLN 32 -14.991 4.765 -0.750 206 H LEU 33 H LEU 33 -10.137 2.455 1.513 207 HA LEU 33 HA LEU 33 -8.184 0.424 0.718 208 HB2 LEU 33 1HB LEU 33 -9.539 0.910 3.375 209 HB3 LEU 33 2HB LEU 33 -8.354 -0.337 3.042 210 HG LEU 33 HG LEU 33 -7.409 1.596 4.242 211 HD11 LEU 33 1HD1 LEU 33 -5.587 0.733 3.285 212 HD12 LEU 33 2HD1 LEU 33 -6.401 0.513 1.717 213 HD13 LEU 33 3HD1 LEU 33 -5.696 2.092 2.140 214 HD21 LEU 33 1HD2 LEU 33 -7.353 3.765 3.447 215 HD22 LEU 33 2HD2 LEU 33 -7.652 3.273 1.763 216 HD23 LEU 33 3HD2 LEU 33 -8.976 3.228 2.951 217 H GLN 34 H GLN 34 -8.879 -1.905 1.227 218 HA GLN 34 HA GLN 34 -11.700 -2.164 0.529 219 HB2 GLN 34 1HB GLN 34 -11.140 -4.100 -0.855 220 HB3 GLN 34 2HB GLN 34 -10.194 -2.721 -1.379 221 HG2 GLN 34 1HG GLN 34 -8.358 -4.041 -1.149 222 HG3 GLN 34 2HG GLN 34 -8.563 -3.870 0.583 223 HE21 GLN 34 1HE2 GLN 34 -9.125 -5.863 -2.220 224 HE22 GLN 34 2HE2 GLN 34 -9.502 -7.345 -1.405 225 H GLY 35 H GLY 35 -12.907 -3.752 1.635 226 HA2 GLY 35 1HA GLY 35 -11.445 -5.123 3.814 227 HA3 GLY 35 2HA GLY 35 -13.058 -4.456 3.969 228 H SER 36 H SER 36 -14.057 -6.461 4.499 229 HA SER 36 HA SER 36 -14.610 -8.047 2.184 230 HB2 SER 36 1HB SER 36 -12.574 -8.910 3.934 231 HB3 SER 36 2HB SER 36 -13.975 -9.847 4.413 232 HG SER 36 HG SER 36 -12.435 -10.005 2.091 233 H VAL 37 H VAL 37 -16.339 -9.804 2.813 234 HA VAL 37 HA VAL 37 -18.298 -8.456 4.424 235 HB VAL 37 HB VAL 37 -19.683 -10.451 3.714 236 HG11 VAL 37 1HG1 VAL 37 -19.521 -9.685 1.189 237 HG12 VAL 37 2HG1 VAL 37 -20.130 -8.581 2.446 238 HG13 VAL 37 3HG1 VAL 37 -18.453 -8.434 1.868 239 HG21 VAL 37 1HG2 VAL 37 -17.448 -11.786 3.278 240 HG22 VAL 37 2HG2 VAL 37 -18.891 -12.067 2.273 241 HG23 VAL 37 3HG2 VAL 37 -17.570 -11.039 1.667 242 H PHE 38 H PHE 38 -15.903 -11.002 4.779 243 HA PHE 38 HA PHE 38 -17.049 -11.584 7.419 244 HB2 PHE 38 1HB PHE 38 -15.733 -13.830 6.971 245 HB3 PHE 38 2HB PHE 38 -17.248 -13.602 6.120 246 HD1 PHE 38 1HD PHE 38 -13.684 -12.592 5.576 247 HD2 PHE 38 2HD PHE 38 -17.205 -14.302 3.936 248 HE1 PHE 38 1HE PHE 38 -12.504 -12.922 3.386 249 HE2 PHE 38 2HE PHE 38 -16.024 -14.632 1.746 250 HZ PHE 38 HZ PHE 38 -13.688 -13.939 1.497 251 H ALA 39 H ALA 39 -15.102 -12.822 8.739 252 HA ALA 39 HA ALA 39 -12.487 -12.242 8.353 253 HB1 ALA 39 1HB ALA 39 -14.044 -9.845 9.188 254 HB2 ALA 39 2HB ALA 39 -12.535 -10.147 10.084 255 HB3 ALA 39 3HB ALA 39 -12.497 -9.959 8.314 256 H THR 40 H THR 40 -11.364 -11.879 10.739 257 HA THR 40 HA THR 40 -12.933 -13.516 12.616 258 HB THR 40 HB THR 40 -10.028 -13.807 11.701 259 HG1 THR 40 1HG THR 40 -12.342 -15.594 11.954 260 HG21 THR 40 1HG2 THR 40 -9.570 -14.696 13.760 261 HG22 THR 40 2HG2 THR 40 -11.257 -14.480 14.282 262 HG23 THR 40 3HG2 THR 40 -10.780 -15.951 13.401 263 H GLU 41 H GLU 41 -9.718 -11.845 12.620 264 HA GLU 41 HA GLU 41 -10.699 -10.467 14.997 265 HB2 GLU 41 1HB GLU 41 -8.604 -10.672 15.991 266 HB3 GLU 41 2HB GLU 41 -8.673 -12.164 15.075 267 HG2 GLU 41 1HG GLU 41 -7.580 -10.669 13.146 268 HG3 GLU 41 2HG GLU 41 -7.100 -9.649 14.488 269 H THR 42 H THR 42 -9.218 -10.213 11.794 270 HA THR 42 HA THR 42 -9.654 -7.348 11.859 271 HB THR 42 HB THR 42 -7.344 -7.550 12.720 272 HG1 THR 42 1HG THR 42 -7.437 -5.844 11.255 273 HG21 THR 42 1HG2 THR 42 -6.189 -8.594 10.216 274 HG22 THR 42 2HG2 THR 42 -5.808 -9.039 11.897 275 HG23 THR 42 3HG2 THR 42 -7.167 -9.822 11.055 276 H LEU 43 H LEU 43 -7.623 -7.615 9.383 277 HA LEU 43 HA LEU 43 -9.789 -8.431 7.584 278 HB2 LEU 43 1HB LEU 43 -9.254 -6.164 7.255 279 HB3 LEU 43 2HB LEU 43 -7.529 -6.464 7.328 280 HG LEU 43 HG LEU 43 -7.580 -7.591 5.172 281 HD11 LEU 43 1HD1 LEU 43 -10.519 -6.930 4.937 282 HD12 LEU 43 2HD1 LEU 43 -9.515 -7.938 3.867 283 HD13 LEU 43 3HD1 LEU 43 -9.925 -8.511 5.502 284 HD21 LEU 43 1HD2 LEU 43 -9.004 -4.916 5.112 285 HD22 LEU 43 2HD2 LEU 43 -7.246 -5.181 5.187 286 HD23 LEU 43 3HD2 LEU 43 -8.159 -5.678 3.742 287 H SER 44 H SER 44 -7.325 -9.852 9.116 288 HA SER 44 HA SER 44 -5.749 -11.313 8.628 289 HB2 SER 44 1HB SER 44 -8.211 -12.352 8.209 290 HB3 SER 44 2HB SER 44 -7.553 -12.606 6.604 291 HG SER 44 HG SER 44 -7.236 -14.366 8.282 292 H SER 45 H SER 45 -5.497 -8.924 6.983 293 HA SER 45 HA SER 45 -3.585 -9.692 5.245 294 HB2 SER 45 1HB SER 45 -6.196 -10.233 4.129 295 HB3 SER 45 2HB SER 45 -5.462 -8.937 3.206 296 HG SER 45 HG SER 45 -4.917 -11.583 3.088 297 HA PRO 46 HA PRO 46 -3.356 -5.356 4.885 298 HB2 PRO 46 1HB PRO 46 -2.224 -4.878 2.444 299 HB3 PRO 46 2HB PRO 46 -1.304 -5.399 3.842 300 HG2 PRO 46 1HG PRO 46 -2.120 -6.965 1.471 301 HG3 PRO 46 2HG PRO 46 -0.872 -7.324 2.647 302 HD2 PRO 46 1HD PRO 46 -3.473 -8.523 2.484 303 HD3 PRO 46 2HD PRO 46 -2.268 -8.797 3.727 304 HA PRO 47 HA PRO 47 -6.807 -3.722 3.028 305 HB2 PRO 47 1HB PRO 47 -6.447 -1.054 3.498 306 HB3 PRO 47 2HB PRO 47 -7.092 -2.160 4.695 307 HG2 PRO 47 1HG PRO 47 -4.397 -0.955 4.547 308 HG3 PRO 47 2HG PRO 47 -5.192 -1.701 5.919 309 HD2 PRO 47 1HD PRO 47 -3.136 -2.860 4.289 310 HD3 PRO 47 2HD PRO 47 -4.013 -3.646 5.587 311 H LEU 48 H LEU 48 -5.931 -4.605 0.966 312 HA LEU 48 HA LEU 48 -4.350 -3.299 -0.742 313 HB2 LEU 48 1HB LEU 48 -6.522 -5.190 -0.917 314 HB3 LEU 48 2HB LEU 48 -6.537 -4.122 -2.307 315 HG LEU 48 HG LEU 48 -3.984 -4.691 -2.454 316 HD11 LEU 48 1HD1 LEU 48 -4.252 -5.964 -0.177 317 HD12 LEU 48 2HD1 LEU 48 -4.814 -7.293 -1.220 318 HD13 LEU 48 3HD1 LEU 48 -3.190 -6.604 -1.455 319 HD21 LEU 48 1HD2 LEU 48 -5.783 -5.281 -4.086 320 HD22 LEU 48 2HD2 LEU 48 -4.456 -6.464 -3.991 321 HD23 LEU 48 3HD2 LEU 48 -6.014 -6.809 -3.202 322 H ILE 49 H ILE 49 -4.370 -1.512 -2.098 323 HA ILE 49 HA ILE 49 -6.055 0.605 -1.329 324 HB ILE 49 HB ILE 49 -4.064 0.189 -3.544 325 HG12 ILE 49 1HG1 ILE 49 -4.048 1.886 -1.030 326 HG13 ILE 49 2HG1 ILE 49 -3.188 0.376 -1.261 327 HG21 ILE 49 1HG2 ILE 49 -6.169 2.163 -3.454 328 HG22 ILE 49 2HG2 ILE 49 -4.573 2.942 -3.326 329 HG23 ILE 49 3HG2 ILE 49 -4.933 1.871 -4.701 330 HD11 ILE 49 1HD1 ILE 49 -1.453 1.599 -2.056 331 HD12 ILE 49 2HD1 ILE 49 -2.448 1.937 -3.493 332 HD13 ILE 49 3HD1 ILE 49 -2.449 3.072 -2.122 333 H SER 50 H SER 50 -8.243 0.147 -1.571 334 HA SER 50 HA SER 50 -9.370 -1.191 -3.645 335 HB2 SER 50 1HB SER 50 -10.840 -0.794 -1.887 336 HB3 SER 50 2HB SER 50 -10.324 0.868 -1.681 337 HG SER 50 HG SER 50 -11.912 -0.114 -3.899 338 H TYR 51 H TYR 51 -9.114 2.425 -3.263 339 HA TYR 51 HA TYR 51 -8.772 2.646 -6.139 340 HB2 TYR 51 1HB TYR 51 -11.257 2.746 -5.622 341 HB3 TYR 51 2HB TYR 51 -10.953 3.984 -4.419 342 HD1 TYR 51 2HD TYR 51 -10.701 3.288 -8.077 343 HD2 TYR 51 1HD TYR 51 -10.928 6.268 -5.016 344 HE1 TYR 51 2HE TYR 51 -11.004 5.090 -9.844 345 HE2 TYR 51 1HE TYR 51 -11.230 8.060 -6.793 346 HH TYR 51 HH TYR 51 -10.493 8.206 -9.343 347 H ILE 52 H ILE 52 -8.051 4.841 -6.788 348 HA ILE 52 HA ILE 52 -6.909 6.296 -4.505 349 HB ILE 52 HB ILE 52 -5.628 5.671 -7.167 350 HG12 ILE 52 1HG1 ILE 52 -4.493 4.965 -4.477 351 HG13 ILE 52 2HG1 ILE 52 -5.743 3.954 -5.176 352 HG21 ILE 52 1HG2 ILE 52 -5.188 7.996 -6.384 353 HG22 ILE 52 2HG2 ILE 52 -4.492 7.318 -4.893 354 HG23 ILE 52 3HG2 ILE 52 -3.736 6.970 -6.466 355 HD11 ILE 52 1HD1 ILE 52 -4.046 2.920 -6.288 356 HD12 ILE 52 2HD1 ILE 52 -4.037 4.355 -7.341 357 HD13 ILE 52 3HD1 ILE 52 -2.913 4.254 -5.964 358 H GLU 53 H GLU 53 -8.022 8.165 -4.311 359 HA GLU 53 HA GLU 53 -9.656 9.213 -6.202 360 HB2 GLU 53 1HB GLU 53 -8.905 9.858 -3.607 361 HB3 GLU 53 2HB GLU 53 -8.334 11.251 -4.503 362 HG2 GLU 53 1HG GLU 53 -10.881 10.757 -5.600 363 HG3 GLU 53 2HG GLU 53 -11.096 10.431 -3.891 364 H ALA 54 H ALA 54 -9.496 11.057 -7.668 365 HA ALA 54 HA ALA 54 -6.897 11.157 -8.928 366 HB1 ALA 54 1HB ALA 54 -8.411 12.755 -10.450 367 HB2 ALA 54 2HB ALA 54 -8.529 10.982 -10.549 368 HB3 ALA 54 3HB ALA 54 -9.723 11.902 -9.602 369 H ASP 55 H ASP 55 -6.199 13.453 -9.751 370 HA ASP 55 HA ASP 55 -5.228 15.302 -9.126 371 HB2 ASP 55 1HB ASP 55 -7.841 15.831 -9.399 372 HB3 ASP 55 2HB ASP 55 -7.741 16.169 -7.682 373 H SER 56 H SER 56 -5.192 13.031 -7.140 374 HA SER 56 HA SER 56 -5.067 14.577 -4.673 375 HB2 SER 56 1HB SER 56 -6.105 12.839 -3.676 376 HB3 SER 56 2HB SER 56 -6.280 12.082 -5.246 377 HG SER 56 HG SER 56 -4.727 10.672 -4.774 378 HA PRO 57 HA PRO 57 -0.794 13.776 -4.451 379 HB2 PRO 57 1HB PRO 57 -0.307 13.370 -1.793 380 HB3 PRO 57 2HB PRO 57 -0.543 14.959 -2.492 381 HG2 PRO 57 1HG PRO 57 -2.409 13.363 -0.846 382 HG3 PRO 57 2HG PRO 57 -2.444 15.081 -1.190 383 HD2 PRO 57 1HD PRO 57 -4.105 13.061 -2.369 384 HD3 PRO 57 2HD PRO 57 -4.059 14.760 -2.795 385 H ALA 58 H ALA 58 -2.905 11.324 -3.413 386 HA ALA 58 HA ALA 58 -0.890 9.362 -2.998 387 HB1 ALA 58 1HB ALA 58 -3.041 7.869 -3.339 388 HB2 ALA 58 2HB ALA 58 -2.888 8.899 -1.895 389 HB3 ALA 58 3HB ALA 58 -3.891 9.431 -3.266 390 H GLU 59 H GLU 59 -3.019 10.355 -5.739 391 HA GLU 59 HA GLU 59 -2.046 8.272 -7.387 392 HB2 GLU 59 1HB GLU 59 -4.320 9.402 -7.575 393 HB3 GLU 59 2HB GLU 59 -3.508 10.814 -8.221 394 HG2 GLU 59 1HG GLU 59 -4.186 9.588 -10.149 395 HG3 GLU 59 2HG GLU 59 -2.474 9.248 -9.997 396 H ARG 60 H ARG 60 -1.078 11.573 -6.590 397 HA ARG 60 HA ARG 60 0.334 12.168 -8.872 398 HB2 ARG 60 1HB ARG 60 0.444 13.041 -5.984 399 HB3 ARG 60 2HB ARG 60 1.779 13.512 -7.017 400 HG2 ARG 60 1HG ARG 60 0.028 14.403 -8.681 401 HG3 ARG 60 2HG ARG 60 -1.176 14.141 -7.435 402 HD2 ARG 60 1HD ARG 60 0.393 15.569 -5.893 403 HD3 ARG 60 2HD ARG 60 1.189 16.055 -7.377 404 HE ARG 60 HE ARG 60 -1.514 16.461 -7.908 405 HH11 ARG 60 2HH2 ARG 60 0.719 17.569 -5.425 406 HH12 ARG 60 1HH2 ARG 60 -0.111 19.067 -5.167 407 HH21 ARG 60 2HH1 ARG 60 -2.610 18.437 -7.568 408 HH22 ARG 60 1HH1 ARG 60 -2.017 19.564 -6.394 409 H CYS 61 H CYS 61 1.323 10.502 -5.810 410 HA CYS 61 HA CYS 61 4.011 10.270 -6.362 411 HB2 CYS 61 1HB CYS 61 2.331 9.484 -4.316 412 HB3 CYS 61 2HB CYS 61 2.847 7.946 -4.978 413 HG CYS 61 HG CYS 61 5.404 9.508 -5.212 414 H GLY 62 H GLY 62 1.174 8.226 -7.273 415 HA2 GLY 62 1HA GLY 62 0.938 6.920 -9.128 416 HA3 GLY 62 2HA GLY 62 2.614 7.199 -9.558 417 H VAL 63 H VAL 63 4.029 6.360 -7.297 418 HA VAL 63 HA VAL 63 4.363 3.720 -7.646 419 HB VAL 63 HB VAL 63 5.400 3.687 -5.446 420 HG11 VAL 63 1HG1 VAL 63 6.027 6.437 -6.466 421 HG12 VAL 63 2HG1 VAL 63 7.123 5.126 -5.966 422 HG13 VAL 63 3HG1 VAL 63 6.289 5.038 -7.536 423 HG21 VAL 63 1HG2 VAL 63 3.522 5.025 -4.347 424 HG22 VAL 63 2HG2 VAL 63 5.182 5.400 -3.827 425 HG23 VAL 63 3HG2 VAL 63 4.340 6.480 -4.964 426 H LEU 64 H LEU 64 1.760 5.334 -5.851 427 HA LEU 64 HA LEU 64 0.903 2.957 -4.531 428 HB2 LEU 64 1HB LEU 64 -0.615 5.522 -5.009 429 HB3 LEU 64 2HB LEU 64 -0.971 4.288 -3.817 430 HG LEU 64 HG LEU 64 1.641 5.802 -3.789 431 HD11 LEU 64 1HD1 LEU 64 0.655 7.682 -3.157 432 HD12 LEU 64 2HD1 LEU 64 -0.943 6.930 -3.385 433 HD13 LEU 64 3HD1 LEU 64 -0.128 6.828 -1.805 434 HD21 LEU 64 1HD2 LEU 64 2.067 4.320 -2.182 435 HD22 LEU 64 2HD2 LEU 64 0.865 5.189 -1.197 436 HD23 LEU 64 3HD2 LEU 64 0.378 3.759 -2.139 437 H GLN 65 H GLN 65 0.209 1.233 -5.688 438 HA GLN 65 HA GLN 65 -1.335 1.818 -8.078 439 HB2 GLN 65 1HB GLN 65 0.306 -0.553 -7.165 440 HB3 GLN 65 2HB GLN 65 -0.943 -0.786 -8.372 441 HG2 GLN 65 1HG GLN 65 0.297 1.449 -9.385 442 HG3 GLN 65 2HG GLN 65 1.653 0.681 -8.584 443 HE21 GLN 65 1HE2 GLN 65 0.439 1.034 -11.455 444 HE22 GLN 65 2HE2 GLN 65 0.693 -0.510 -12.199 445 H ILE 66 H ILE 66 -3.326 0.541 -8.501 446 HA ILE 66 HA ILE 66 -4.941 0.425 -6.179 447 HB ILE 66 HB ILE 66 -5.415 -0.397 -9.044 448 HG12 ILE 66 1HG1 ILE 66 -4.941 2.060 -8.399 449 HG13 ILE 66 2HG1 ILE 66 -6.329 1.701 -9.407 450 HG21 ILE 66 1HG2 ILE 66 -7.873 0.124 -7.831 451 HG22 ILE 66 2HG2 ILE 66 -7.234 -1.459 -8.336 452 HG23 ILE 66 3HG2 ILE 66 -6.998 -0.896 -6.664 453 HD11 ILE 66 1HD1 ILE 66 -7.760 2.531 -7.858 454 HD12 ILE 66 2HD1 ILE 66 -7.055 1.511 -6.582 455 HD13 ILE 66 3HD1 ILE 66 -6.337 3.098 -6.951 456 H GLY 67 H GLY 67 -5.064 -1.182 -4.715 457 HA2 GLY 67 1HA GLY 67 -5.351 -3.341 -4.002 458 HA3 GLY 67 2HA GLY 67 -4.975 -3.942 -5.605 459 H ASP 68 H ASP 68 -3.016 -1.613 -3.665 460 HA ASP 68 HA ASP 68 -0.740 -3.263 -4.089 461 HB2 ASP 68 1HB ASP 68 -1.327 -0.517 -3.252 462 HB3 ASP 68 2HB ASP 68 -0.119 -1.229 -2.201 463 H ARG 69 H ARG 69 0.791 -3.175 -1.818 464 HA ARG 69 HA ARG 69 -0.946 -4.330 0.215 465 HB2 ARG 69 1HB ARG 69 1.424 -5.527 0.782 466 HB3 ARG 69 2HB ARG 69 0.270 -6.223 -0.339 467 HG2 ARG 69 1HG ARG 69 2.368 -4.258 -1.322 468 HG3 ARG 69 2HG ARG 69 2.778 -5.946 -1.092 469 HD2 ARG 69 1HD ARG 69 0.520 -6.328 -2.513 470 HD3 ARG 69 2HD ARG 69 0.876 -4.709 -3.082 471 HE ARG 69 HE ARG 69 2.433 -7.144 -3.632 472 HH11 ARG 69 2HH2 ARG 69 2.433 -3.625 -3.631 473 HH12 ARG 69 1HH2 ARG 69 3.725 -3.497 -4.778 474 HH21 ARG 69 2HH1 ARG 69 4.137 -6.976 -5.145 475 HH22 ARG 69 1HH1 ARG 69 4.701 -5.416 -5.645 476 H VAL 70 H VAL 70 -1.112 -2.590 1.662 477 HA VAL 70 HA VAL 70 1.351 -1.184 2.351 478 HB VAL 70 HB VAL 70 -0.582 0.136 1.686 479 HG11 VAL 70 1HG1 VAL 70 -1.971 -1.234 4.010 480 HG12 VAL 70 2HG1 VAL 70 -2.588 0.224 3.196 481 HG13 VAL 70 3HG1 VAL 70 -2.415 -1.297 2.288 482 HG21 VAL 70 1HG2 VAL 70 -0.653 0.860 4.514 483 HG22 VAL 70 2HG2 VAL 70 1.000 0.520 3.945 484 HG23 VAL 70 3HG2 VAL 70 0.010 1.749 3.121 485 H MET 71 H MET 71 2.467 -1.692 4.162 486 HA MET 71 HA MET 71 1.278 -3.621 5.924 487 HB2 MET 71 1HB MET 71 4.002 -2.322 6.318 488 HB3 MET 71 2HB MET 71 3.522 -3.966 6.691 489 HG2 MET 71 1HG MET 71 3.171 -4.220 4.093 490 HG3 MET 71 2HG MET 71 4.133 -2.761 3.967 491 HE1 MET 71 1HE MET 71 5.165 -5.695 6.905 492 HE2 MET 71 2HE MET 71 3.716 -5.862 5.884 493 HE3 MET 71 3HE MET 71 5.164 -6.840 5.542 494 H ALA 72 H ALA 72 1.832 -0.166 5.762 495 HA ALA 72 HA ALA 72 0.588 0.128 8.352 496 HB1 ALA 72 1HB ALA 72 2.602 1.927 8.694 497 HB2 ALA 72 2HB ALA 72 2.632 0.276 9.358 498 HB3 ALA 72 3HB ALA 72 3.475 0.637 7.832 499 H ILE 73 H ILE 73 -0.182 2.369 8.682 500 HA ILE 73 HA ILE 73 -0.324 3.813 6.126 501 HB ILE 73 HB ILE 73 -2.432 3.042 8.086 502 HG12 ILE 73 1HG1 ILE 73 -2.623 3.425 5.095 503 HG13 ILE 73 2HG1 ILE 73 -1.979 1.957 5.803 504 HG21 ILE 73 1HG2 ILE 73 -3.896 4.859 7.162 505 HG22 ILE 73 2HG2 ILE 73 -2.609 5.413 8.259 506 HG23 ILE 73 3HG2 ILE 73 -2.429 5.619 6.500 507 HD11 ILE 73 1HD1 ILE 73 -4.475 2.734 7.125 508 HD12 ILE 73 2HD1 ILE 73 -4.697 2.559 5.368 509 HD13 ILE 73 3HD1 ILE 73 -4.053 1.202 6.323 510 H ASN 74 H ASN 74 1.135 3.784 9.071 511 HA ASN 74 HA ASN 74 2.009 6.332 8.956 512 HB2 ASN 74 1HB ASN 74 0.731 7.315 11.006 513 HB3 ASN 74 2HB ASN 74 -0.112 7.316 9.470 514 HD21 ASN 74 1HD2 ASN 74 -1.984 7.493 10.890 515 HD22 ASN 74 2HD2 ASN 74 -2.732 6.059 11.512 516 H GLY 75 H GLY 75 3.010 3.756 9.550 517 HA2 GLY 75 1HA GLY 75 4.660 3.061 11.000 518 HA3 GLY 75 2HA GLY 75 4.085 4.173 12.226 519 H ILE 76 H ILE 76 1.223 3.377 11.988 520 HA ILE 76 HA ILE 76 1.278 1.263 13.849 521 HB ILE 76 HB ILE 76 -0.988 2.507 12.288 522 HG12 ILE 76 1HG1 ILE 76 0.358 4.030 13.766 523 HG13 ILE 76 2HG1 ILE 76 -1.346 3.919 14.158 524 HG21 ILE 76 1HG2 ILE 76 -2.517 1.461 13.750 525 HG22 ILE 76 2HG2 ILE 76 -1.412 0.177 13.202 526 HG23 ILE 76 3HG2 ILE 76 -1.222 0.883 14.825 527 HD11 ILE 76 1HD1 ILE 76 -0.954 2.925 16.186 528 HD12 ILE 76 2HD1 ILE 76 0.365 1.915 15.545 529 HD13 ILE 76 3HD1 ILE 76 0.677 3.611 15.989 530 HA PRO 77 HA PRO 77 1.304 -2.101 11.132 531 HB2 PRO 77 1HB PRO 77 0.604 -4.094 12.866 532 HB3 PRO 77 2HB PRO 77 2.235 -3.467 12.734 533 HG2 PRO 77 1HG PRO 77 0.229 -2.985 14.852 534 HG3 PRO 77 2HG PRO 77 1.963 -2.732 14.903 535 HD2 PRO 77 1HD PRO 77 -0.058 -0.719 14.603 536 HD3 PRO 77 2HD PRO 77 1.677 -0.480 14.538 537 H THR 78 H THR 78 -0.194 -1.715 9.555 538 HA THR 78 HA THR 78 -2.938 -1.744 10.094 539 HB THR 78 HB THR 78 -3.040 -1.975 7.557 540 HG1 THR 78 1HG THR 78 -0.895 -2.186 6.574 541 HG21 THR 78 1HG2 THR 78 -2.707 0.301 7.929 542 HG22 THR 78 2HG2 THR 78 -1.303 0.022 8.987 543 HG23 THR 78 3HG2 THR 78 -1.118 -0.072 7.219 544 H GLU 79 H GLU 79 -3.369 -3.524 11.491 545 HA GLU 79 HA GLU 79 -4.366 -5.703 10.166 546 HB2 GLU 79 1HB GLU 79 -1.584 -5.960 10.371 547 HB3 GLU 79 2HB GLU 79 -2.173 -6.915 11.717 548 HG2 GLU 79 1HG GLU 79 -3.917 -7.695 9.717 549 HG3 GLU 79 2HG GLU 79 -2.462 -7.387 8.789 550 H ASP 80 H ASP 80 -2.831 -4.431 13.154 551 HA ASP 80 HA ASP 80 -4.197 -6.116 14.897 552 HB2 ASP 80 1HB ASP 80 -2.226 -4.179 15.101 553 HB3 ASP 80 2HB ASP 80 -3.583 -3.358 15.847 554 H SER 81 H SER 81 -5.041 -3.203 13.088 555 HA SER 81 HA SER 81 -7.361 -2.757 14.760 556 HB2 SER 81 1HB SER 81 -6.457 -1.140 12.342 557 HB3 SER 81 2HB SER 81 -7.608 -0.650 13.569 558 HG SER 81 HG SER 81 -5.249 -1.358 14.777 559 H THR 82 H THR 82 -9.075 -1.637 12.717 560 HA THR 82 HA THR 82 -9.649 -4.060 11.141 561 HB THR 82 HB THR 82 -11.969 -3.677 11.585 562 HG1 THR 82 1HG THR 82 -10.928 -1.066 12.432 563 HG21 THR 82 1HG2 THR 82 -10.627 -2.545 14.092 564 HG22 THR 82 2HG2 THR 82 -12.201 -3.372 13.999 565 HG23 THR 82 3HG2 THR 82 -10.698 -4.285 13.726 566 H PHE 83 H PHE 83 -10.955 -3.602 9.115 567 HA PHE 83 HA PHE 83 -9.473 -2.042 7.425 568 HB2 PHE 83 1HB PHE 83 -10.934 -3.634 6.428 569 HB3 PHE 83 2HB PHE 83 -12.241 -3.264 7.535 570 HD1 PHE 83 2HD PHE 83 -13.679 -1.288 7.137 571 HD2 PHE 83 1HD PHE 83 -10.709 -2.471 4.347 572 HE1 PHE 83 2HE PHE 83 -14.773 0.124 5.374 573 HE2 PHE 83 1HE PHE 83 -11.804 -1.059 2.583 574 HZ PHE 83 HZ PHE 83 -13.823 0.222 3.118 575 H GLU 84 H GLU 84 -12.070 -1.109 9.637 576 HA GLU 84 HA GLU 84 -12.715 1.279 8.302 577 HB2 GLU 84 1HB GLU 84 -13.468 -0.114 10.775 578 HB3 GLU 84 2HB GLU 84 -13.370 1.619 11.020 579 HG2 GLU 84 1HG GLU 84 -14.814 1.917 8.935 580 HG3 GLU 84 2HG GLU 84 -15.017 0.177 8.891 581 H GLU 85 H GLU 85 -10.533 0.414 11.051 582 HA GLU 85 HA GLU 85 -9.831 2.904 11.843 583 HB2 GLU 85 1HB GLU 85 -8.803 0.214 12.113 584 HB3 GLU 85 2HB GLU 85 -7.452 1.304 11.875 585 HG2 GLU 85 1HG GLU 85 -9.510 2.340 13.753 586 HG3 GLU 85 2HG GLU 85 -8.737 0.864 14.296 587 H ALA 86 H ALA 86 -8.251 0.901 9.255 588 HA ALA 86 HA ALA 86 -6.232 2.496 8.500 589 HB1 ALA 86 1HB ALA 86 -7.533 0.297 7.479 590 HB2 ALA 86 2HB ALA 86 -7.854 1.520 6.226 591 HB3 ALA 86 3HB ALA 86 -6.178 1.134 6.685 592 H ASN 87 H ASN 87 -9.613 2.777 7.177 593 HA ASN 87 HA ASN 87 -9.188 5.004 5.696 594 HB2 ASN 87 1HB ASN 87 -11.330 3.497 6.034 595 HB3 ASN 87 2HB ASN 87 -11.748 4.626 7.307 596 HD21 ASN 87 1HD2 ASN 87 -12.645 3.923 4.420 597 HD22 ASN 87 2HD2 ASN 87 -12.904 5.463 3.669 598 H GLN 88 H GLN 88 -10.081 4.660 9.191 599 HA GLN 88 HA GLN 88 -10.482 7.346 9.693 600 HB2 GLN 88 1HB GLN 88 -10.356 4.883 11.182 601 HB3 GLN 88 2HB GLN 88 -9.389 6.072 12.033 602 HG2 GLN 88 1HG GLN 88 -11.358 6.824 12.897 603 HG3 GLN 88 2HG GLN 88 -11.621 7.569 11.333 604 HE21 GLN 88 1HE2 GLN 88 -12.192 5.617 9.647 605 HE22 GLN 88 2HE2 GLN 88 -13.608 4.728 10.100 606 H LEU 89 H LEU 89 -7.519 5.288 9.902 607 HA LEU 89 HA LEU 89 -5.776 6.942 11.107 608 HB2 LEU 89 1HB LEU 89 -5.266 5.266 8.645 609 HB3 LEU 89 2HB LEU 89 -4.033 5.898 9.717 610 HG LEU 89 HG LEU 89 -5.965 3.656 10.142 611 HD11 LEU 89 1HD1 LEU 89 -3.017 4.129 10.432 612 HD12 LEU 89 2HD1 LEU 89 -3.801 2.815 11.343 613 HD13 LEU 89 3HD1 LEU 89 -3.888 2.841 9.565 614 HD21 LEU 89 1HD2 LEU 89 -4.818 5.342 12.381 615 HD22 LEU 89 2HD2 LEU 89 -6.535 5.064 12.003 616 HD23 LEU 89 3HD2 LEU 89 -5.524 3.722 12.590 617 H LEU 90 H LEU 90 -6.707 7.053 7.604 618 HA LEU 90 HA LEU 90 -5.084 9.207 6.948 619 HB2 LEU 90 1HB LEU 90 -7.649 8.127 5.800 620 HB3 LEU 90 2HB LEU 90 -6.828 9.507 5.099 621 HG LEU 90 HG LEU 90 -5.839 6.661 5.307 622 HD11 LEU 90 1HD1 LEU 90 -5.458 7.327 2.756 623 HD12 LEU 90 2HD1 LEU 90 -7.014 6.709 3.362 624 HD13 LEU 90 3HD1 LEU 90 -6.781 8.458 3.127 625 HD21 LEU 90 1HD2 LEU 90 -3.750 7.546 4.164 626 HD22 LEU 90 2HD2 LEU 90 -4.258 9.164 4.706 627 HD23 LEU 90 3HD2 LEU 90 -3.916 7.890 5.902 628 H ARG 91 H ARG 91 -8.653 9.235 7.661 629 HA ARG 91 HA ARG 91 -9.123 11.818 7.602 630 HB2 ARG 91 1HB ARG 91 -10.087 9.633 9.444 631 HB3 ARG 91 2HB ARG 91 -10.566 11.273 9.834 632 HG2 ARG 91 1HG ARG 91 -10.948 10.976 7.012 633 HG3 ARG 91 2HG ARG 91 -11.593 9.523 7.750 634 HD2 ARG 91 1HD ARG 91 -12.827 11.088 9.412 635 HD3 ARG 91 2HD ARG 91 -12.376 12.409 8.352 636 HE ARG 91 HE ARG 91 -13.552 10.361 6.747 637 HH11 ARG 91 2HH2 ARG 91 -14.474 12.670 9.237 638 HH12 ARG 91 1HH2 ARG 91 -16.114 12.794 8.694 639 HH21 ARG 91 2HH1 ARG 91 -15.716 10.525 6.030 640 HH22 ARG 91 1HH1 ARG 91 -16.825 11.566 6.858 641 H ASP 92 H ASP 92 -7.379 10.067 10.214 642 HA ASP 92 HA ASP 92 -7.248 12.353 11.878 643 HB2 ASP 92 1HB ASP 92 -6.634 9.552 12.044 644 HB3 ASP 92 2HB ASP 92 -5.157 10.412 12.431 645 H SER 93 H SER 93 -4.963 10.467 9.764 646 HA SER 93 HA SER 93 -2.678 11.794 10.203 647 HB2 SER 93 1HB SER 93 -3.748 10.077 8.172 648 HB3 SER 93 2HB SER 93 -2.931 11.389 7.346 649 HG SER 93 HG SER 93 -1.640 10.075 9.550 650 H SER 94 H SER 94 -5.593 12.974 8.608 651 HA SER 94 HA SER 94 -4.570 14.931 7.013 652 HB2 SER 94 1HB SER 94 -7.039 14.114 7.483 653 HB3 SER 94 2HB SER 94 -7.063 15.408 8.664 654 HG SER 94 HG SER 94 -7.456 16.742 7.049 655 H ILE 95 H ILE 95 -5.161 14.894 10.560 656 HA ILE 95 HA ILE 95 -4.954 17.514 11.195 657 HB ILE 95 HB ILE 95 -3.992 15.017 12.551 658 HG12 ILE 95 1HG1 ILE 95 -5.909 16.352 14.086 659 HG13 ILE 95 2HG1 ILE 95 -6.451 16.581 12.435 660 HG21 ILE 95 1HG2 ILE 95 -3.911 16.694 14.608 661 HG22 ILE 95 2HG2 ILE 95 -2.484 16.370 13.594 662 HG23 ILE 95 3HG2 ILE 95 -3.446 17.844 13.331 663 HD11 ILE 95 1HD1 ILE 95 -6.733 14.293 12.050 664 HD12 ILE 95 2HD1 ILE 95 -5.508 13.834 13.258 665 HD13 ILE 95 3HD1 ILE 95 -7.116 14.386 13.786 666 H THR 96 H THR 96 -2.049 15.348 11.407 667 HA THR 96 HA THR 96 -0.257 17.508 11.297 668 HB THR 96 HB THR 96 0.226 15.279 12.310 669 HG1 THR 96 1HG THR 96 2.280 15.797 11.672 670 HG21 THR 96 1HG2 THR 96 -0.949 14.050 10.245 671 HG22 THR 96 2HG2 THR 96 0.668 14.193 9.515 672 HG23 THR 96 3HG2 THR 96 0.457 13.301 11.041 673 H SER 97 H SER 97 -2.164 16.029 8.836 674 HA SER 97 HA SER 97 -2.305 16.401 6.701 675 HB2 SER 97 1HB SER 97 -0.850 18.739 7.641 676 HB3 SER 97 2HB SER 97 -0.295 18.310 6.035 677 HG SER 97 HG SER 97 -2.308 19.773 6.357 678 H LYS 98 H LYS 98 -0.403 14.443 7.878 679 HA LYS 98 HA LYS 98 1.068 13.901 5.462 680 HB2 LYS 98 1HB LYS 98 2.406 15.339 7.392 681 HB3 LYS 98 2HB LYS 98 2.832 13.692 7.810 682 HG2 LYS 98 1HG LYS 98 4.355 13.725 6.131 683 HG3 LYS 98 2HG LYS 98 3.025 13.762 4.991 684 HD2 LYS 98 1HD LYS 98 3.442 15.928 4.438 685 HD3 LYS 98 2HD LYS 98 3.461 16.426 6.118 686 HE2 LYS 98 1HE LYS 98 5.858 14.858 5.396 687 HE3 LYS 98 2HE LYS 98 5.685 16.294 4.406 688 HZ1 LYS 98 1HZ LYS 98 5.335 16.486 7.294 689 HZ2 LYS 98 2HZ LYS 98 6.839 16.462 6.659 690 HZ3 LYS 98 3HZ LYS 98 5.794 17.643 6.237 691 H VAL 99 H VAL 99 1.469 11.677 5.193 692 HA VAL 99 HA VAL 99 0.736 9.963 7.436 693 HB VAL 99 HB VAL 99 -1.295 10.382 6.091 694 HG11 VAL 99 1HG1 VAL 99 -1.358 9.204 3.812 695 HG12 VAL 99 2HG1 VAL 99 -0.520 10.771 3.898 696 HG13 VAL 99 3HG1 VAL 99 0.420 9.260 3.867 697 HG21 VAL 99 1HG2 VAL 99 -1.203 8.322 7.293 698 HG22 VAL 99 2HG2 VAL 99 -1.830 7.946 5.670 699 HG23 VAL 99 3HG2 VAL 99 -0.136 7.581 6.077 700 H THR 100 H THR 100 1.642 7.811 7.276 701 HA THR 100 HA THR 100 3.787 7.655 5.260 702 HB THR 100 HB THR 100 3.793 6.517 8.100 703 HG1 THR 100 1HG THR 100 4.335 8.596 8.633 704 HG21 THR 100 1HG2 THR 100 5.733 5.566 7.328 705 HG22 THR 100 2HG2 THR 100 5.649 6.481 5.803 706 HG23 THR 100 3HG2 THR 100 6.381 7.222 7.246 707 H LEU 101 H LEU 101 2.836 6.434 3.683 708 HA LEU 101 HA LEU 101 1.434 4.029 4.525 709 HB2 LEU 101 1HB LEU 101 1.708 5.503 1.915 710 HB3 LEU 101 2HB LEU 101 1.036 3.887 1.999 711 HG LEU 101 HG LEU 101 -0.829 4.603 3.279 712 HD11 LEU 101 1HD1 LEU 101 0.294 6.046 4.872 713 HD12 LEU 101 2HD1 LEU 101 0.566 7.273 3.611 714 HD13 LEU 101 3HD1 LEU 101 -1.090 6.897 4.144 715 HD21 LEU 101 1HD2 LEU 101 -0.121 6.125 0.852 716 HD22 LEU 101 2HD2 LEU 101 -1.565 5.154 1.229 717 HD23 LEU 101 3HD2 LEU 101 -1.432 6.823 1.834 718 H GLU 102 H GLU 102 2.656 2.273 4.957 719 HA GLU 102 HA GLU 102 5.191 2.049 3.604 720 HB2 GLU 102 1HB GLU 102 4.676 1.637 6.162 721 HB3 GLU 102 2HB GLU 102 4.132 0.060 5.626 722 HG2 GLU 102 1HG GLU 102 6.264 -0.676 5.353 723 HG3 GLU 102 2HG GLU 102 6.684 0.708 4.364 724 H ILE 103 H ILE 103 5.049 1.206 1.554 725 HA ILE 103 HA ILE 103 3.151 -0.978 1.135 726 HB ILE 103 HB ILE 103 4.608 0.854 -0.769 727 HG12 ILE 103 1HG1 ILE 103 2.657 1.766 0.543 728 HG13 ILE 103 2HG1 ILE 103 2.509 1.851 -1.201 729 HG21 ILE 103 1HG2 ILE 103 2.898 -1.577 -1.303 730 HG22 ILE 103 2HG2 ILE 103 3.124 -0.279 -2.500 731 HG23 ILE 103 3HG2 ILE 103 4.528 -1.202 -1.912 732 HD11 ILE 103 1HD1 ILE 103 0.399 1.030 -0.460 733 HD12 ILE 103 2HD1 ILE 103 1.254 -0.417 -1.047 734 HD13 ILE 103 3HD1 ILE 103 1.150 -0.092 0.700 735 H GLU 104 H GLU 104 3.913 -2.840 -0.232 736 HA GLU 104 HA GLU 104 6.765 -3.281 0.114 737 HB2 GLU 104 1HB GLU 104 5.881 -4.483 1.970 738 HB3 GLU 104 2HB GLU 104 4.499 -5.060 1.061 739 HG2 GLU 104 1HG GLU 104 5.724 -6.728 -0.030 740 HG3 GLU 104 2HG GLU 104 7.229 -5.835 0.054 741 H PHE 105 H PHE 105 7.728 -4.671 -1.487 742 HA PHE 105 HA PHE 105 5.939 -5.654 -3.559 743 HB2 PHE 105 1HB PHE 105 7.492 -4.535 -5.255 744 HB3 PHE 105 2HB PHE 105 6.593 -3.382 -4.289 745 HD1 PHE 105 1HD PHE 105 9.899 -4.978 -4.707 746 HD2 PHE 105 2HD PHE 105 7.708 -1.842 -2.869 747 HE1 PHE 105 1HE PHE 105 12.048 -3.881 -4.016 748 HE2 PHE 105 2HE PHE 105 9.857 -0.745 -2.179 749 HZ PHE 105 HZ PHE 105 12.002 -1.778 -2.760 750 H ASP 106 H ASP 106 7.582 -6.676 -5.390 751 HA ASP 106 HA ASP 106 9.275 -8.413 -3.791 752 HB2 ASP 106 1HB ASP 106 9.187 -9.703 -6.145 753 HB3 ASP 106 2HB ASP 106 7.912 -9.875 -4.955 754 H VAL 107 H VAL 107 11.474 -7.952 -3.944 755 HA VAL 107 HA VAL 107 12.446 -6.155 -5.909 756 HB VAL 107 HB VAL 107 14.493 -6.333 -4.786 757 HG11 VAL 107 1HG1 VAL 107 13.688 -5.352 -2.953 758 HG12 VAL 107 2HG1 VAL 107 12.079 -6.011 -3.332 759 HG13 VAL 107 3HG1 VAL 107 13.192 -6.928 -2.289 760 HG21 VAL 107 1HG2 VAL 107 14.762 -8.244 -3.012 761 HG22 VAL 107 2HG2 VAL 107 13.547 -9.080 -4.009 762 HG23 VAL 107 3HG2 VAL 107 15.093 -8.571 -4.730 763 H ALA 108 H ALA 108 14.137 -6.625 -7.517 764 HA ALA 108 HA ALA 108 13.554 -9.136 -8.835 765 HB1 ALA 108 1HB ALA 108 15.541 -7.431 -10.113 766 HB2 ALA 108 2HB ALA 108 13.932 -7.924 -10.693 767 HB3 ALA 108 3HB ALA 108 14.101 -6.497 -9.643 768 H GLU 109 H GLU 109 15.267 -10.597 -9.569 769 HA GLU 109 HA GLU 109 17.571 -10.445 -7.784 770 HB2 GLU 109 1HB GLU 109 15.677 -12.615 -8.362 771 HB3 GLU 109 2HB GLU 109 17.335 -13.119 -8.623 772 HG2 GLU 109 1HG GLU 109 17.579 -11.732 -6.244 773 HG3 GLU 109 2HG GLU 109 15.957 -12.377 -6.086 774 H SER 110 H SER 110 19.610 -11.461 -8.668 775 HA SER 110 HA SER 110 19.990 -10.526 -11.305 776 HB2 SER 110 1HB SER 110 21.854 -12.132 -9.500 777 HB3 SER 110 2HB SER 110 22.335 -11.299 -10.965 778 HG SER 110 HG SER 110 22.766 -9.733 -9.527 779 H VAL 111 H VAL 111 19.130 -11.699 -12.999 780 HA VAL 111 HA VAL 111 19.030 -14.582 -12.797 781 HB VAL 111 HB VAL 111 18.052 -12.579 -14.836 782 HG11 VAL 111 1HG1 VAL 111 18.397 -15.488 -15.042 783 HG12 VAL 111 2HG1 VAL 111 16.732 -14.947 -15.364 784 HG13 VAL 111 3HG1 VAL 111 18.084 -14.275 -16.308 785 HG21 VAL 111 1HG2 VAL 111 16.894 -12.696 -12.602 786 HG22 VAL 111 2HG2 VAL 111 15.857 -13.059 -14.002 787 HG23 VAL 111 3HG2 VAL 111 16.469 -14.382 -12.981 788 H ILE 112 H ILE 112 20.190 -16.037 -14.101 789 HA ILE 112 HA ILE 112 22.772 -15.303 -14.765 790 HB ILE 112 HB ILE 112 21.089 -17.633 -15.688 791 HG12 ILE 112 1HG1 ILE 112 23.185 -18.105 -13.701 792 HG13 ILE 112 2HG1 ILE 112 21.968 -16.979 -13.134 793 HG21 ILE 112 1HG2 ILE 112 23.342 -16.897 -16.940 794 HG22 ILE 112 2HG2 ILE 112 24.053 -17.823 -15.596 795 HG23 ILE 112 3HG2 ILE 112 22.879 -18.597 -16.687 796 HD11 ILE 112 1HD1 ILE 112 20.180 -18.621 -13.860 797 HD12 ILE 112 2HD1 ILE 112 21.477 -19.776 -14.251 798 HD13 ILE 112 3HD1 ILE 112 21.243 -19.235 -12.571 799 HA PRO 113 HA PRO 113 22.209 -13.347 -18.588 800 HB2 PRO 113 1HB PRO 113 24.825 -13.150 -19.356 801 HB3 PRO 113 2HB PRO 113 24.062 -12.022 -18.253 802 HG2 PRO 113 1HG PRO 113 25.976 -14.193 -17.653 803 HG3 PRO 113 2HG PRO 113 25.538 -12.812 -16.667 804 HD2 PRO 113 1HD PRO 113 24.651 -15.518 -16.321 805 HD3 PRO 113 2HD PRO 113 24.125 -14.118 -15.409 806 H SER 114 H SER 114 21.133 -14.392 -20.141 807 HA SER 114 HA SER 114 22.661 -15.808 -21.990 808 HB2 SER 114 1HB SER 114 21.616 -17.373 -19.766 809 HB3 SER 114 2HB SER 114 20.869 -17.896 -21.262 810 HG SER 114 HG SER 114 23.666 -17.467 -21.379 811 H SER 115 H SER 115 21.494 -14.203 -23.268 812 HA SER 115 HA SER 115 19.193 -15.211 -24.422 813 HB2 SER 115 1HB SER 115 18.580 -13.922 -22.024 814 HB3 SER 115 2HB SER 115 18.316 -12.660 -23.211 815 HG SER 115 HG SER 115 17.218 -14.877 -24.253 816 H GLY 116 H GLY 116 19.639 -14.578 -26.498 817 HA2 GLY 116 1HA GLY 116 21.427 -12.738 -27.346 818 HA3 GLY 116 2HA GLY 116 19.994 -13.191 -28.247 819 H SER 117 H SER 117 21.637 -10.543 -27.332 820 HA SER 117 HA SER 117 19.922 -8.934 -25.966 821 HB2 SER 117 1HB SER 117 22.115 -8.492 -27.968 822 HB3 SER 117 2HB SER 117 21.088 -7.119 -27.606 823 HG SER 117 HG SER 117 23.001 -8.409 -25.998 824 H GLY 118 H GLY 118 18.282 -7.393 -26.597 825 HA2 GLY 118 1HA GLY 118 17.257 -6.366 -28.657 826 HA3 GLY 118 2HA GLY 118 17.048 -8.016 -29.209 827 HA PRO 119 HA PRO 119 14.133 -7.199 -25.530 828 HB2 PRO 119 1HB PRO 119 13.559 -4.594 -24.936 829 HB3 PRO 119 2HB PRO 119 14.746 -5.538 -24.058 830 HG2 PRO 119 1HG PRO 119 15.185 -3.405 -26.058 831 HG3 PRO 119 2HG PRO 119 16.308 -4.053 -24.879 832 HD2 PRO 119 1HD PRO 119 16.254 -4.620 -27.690 833 HD3 PRO 119 2HD PRO 119 17.301 -5.355 -26.492 834 H SER 120 H SER 120 14.007 -4.756 -28.052 835 HA SER 120 HA SER 120 12.310 -4.039 -29.248 836 HB2 SER 120 1HB SER 120 11.104 -5.934 -30.487 837 HB3 SER 120 2HB SER 120 12.853 -5.929 -30.593 838 HG SER 120 HG SER 120 12.996 -7.722 -29.350 839 H SER 121 H SER 121 11.120 -3.014 -27.459 840 HA SER 121 HA SER 121 8.857 -4.602 -26.554 841 HB2 SER 121 1HB SER 121 10.534 -3.378 -24.942 842 HB3 SER 121 2HB SER 121 9.674 -1.920 -25.397 843 HG SER 121 HG SER 121 8.921 -3.910 -23.647 844 H GLY 122 H GLY 122 6.988 -4.257 -27.695 845 HA2 GLY 122 1HA GLY 122 5.377 -3.227 -28.873 846 HA3 GLY 122 2HA GLY 122 5.794 -1.764 -28.003
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