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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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606448 |
5ks6 ![]() ![]() |
30136 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 2.099 3.060 21.672 2 H2 MET 1 2H MET 1 3.008 1.697 22.078 3 H3 MET 1 3H MET 1 1.338 1.563 21.866 4 HA MET 1 HA MET 1 3.276 2.301 19.761 5 HB2 MET 1 2HB MET 1 2.882 0.052 18.815 6 HB3 MET 1 1HB MET 1 3.556 -0.058 20.433 7 HG2 MET 1 2HG MET 1 1.440 -0.713 21.355 8 HG3 MET 1 1HG MET 1 0.599 -0.344 19.848 9 HE1 MET 1 1HE MET 1 2.462 -1.618 17.582 10 HE2 MET 1 2HE MET 1 0.714 -1.838 17.668 11 HE3 MET 1 3HE MET 1 1.766 -3.240 17.493 12 H THR 2 H THR 2 0.711 3.630 20.584 13 HA THR 2 HA THR 2 -1.465 2.994 18.957 14 HB THR 2 HB THR 2 -2.074 5.485 19.198 15 HG1 THR 2 HG1 THR 2 -0.315 6.644 19.522 16 HG21 THR 2 1HG2 THR 2 -1.329 4.013 21.758 17 HG22 THR 2 2HG2 THR 2 -2.838 3.818 20.863 18 HG23 THR 2 3HG2 THR 2 -2.462 5.361 21.629 19 H SER 3 H SER 3 1.357 5.037 18.256 20 HA SER 3 HA SER 3 0.565 5.917 15.675 21 HB2 SER 3 2HB SER 3 3.353 5.694 16.883 22 HB3 SER 3 1HB SER 3 2.925 6.620 15.438 23 HG SER 3 HG SER 3 1.671 7.951 16.673 24 H THR 4 H THR 4 2.227 3.019 16.822 25 HA THR 4 HA THR 4 3.052 2.077 14.254 26 HB THR 4 HB THR 4 2.680 0.386 16.762 27 HG1 THR 4 HG1 THR 4 5.055 0.885 16.899 28 HG21 THR 4 1HG2 THR 4 4.502 0.049 14.340 29 HG22 THR 4 2HG2 THR 4 3.077 -0.931 14.701 30 HG23 THR 4 3HG2 THR 4 4.487 -0.997 15.761 31 H VAL 5 H VAL 5 0.194 1.556 16.299 32 HA VAL 5 HA VAL 5 -1.054 -0.452 14.725 33 HB VAL 5 HB VAL 5 -2.411 1.623 16.520 34 HG11 VAL 5 1HG1 VAL 5 -4.001 0.489 15.020 35 HG12 VAL 5 2HG1 VAL 5 -4.253 -0.035 16.686 36 HG13 VAL 5 3HG1 VAL 5 -3.405 -1.086 15.549 37 HG21 VAL 5 1HG2 VAL 5 -2.329 -0.099 18.315 38 HG22 VAL 5 2HG2 VAL 5 -0.711 0.381 17.800 39 HG23 VAL 5 3HG2 VAL 5 -1.388 -1.152 17.252 40 H GLU 6 H GLU 6 -1.153 3.055 14.785 41 HA GLU 6 HA GLU 6 -3.003 3.545 12.711 42 HB2 GLU 6 2HB GLU 6 -2.253 5.152 14.503 43 HB3 GLU 6 1HB GLU 6 -0.700 5.294 13.697 44 HG2 GLU 6 2HG GLU 6 -3.229 5.973 12.201 45 HG3 GLU 6 1HG GLU 6 -2.583 7.118 13.368 46 H PHE 7 H PHE 7 0.494 3.033 12.767 47 HA PHE 7 HA PHE 7 1.088 3.635 10.057 48 HB2 PHE 7 2HB PHE 7 2.830 3.686 11.714 49 HB3 PHE 7 1HB PHE 7 2.512 2.029 12.197 50 HD1 PHE 7 HD1 PHE 7 3.626 4.017 9.210 51 HD2 PHE 7 HD2 PHE 7 3.905 0.325 11.368 52 HE1 PHE 7 HE1 PHE 7 5.411 3.258 7.704 53 HE2 PHE 7 HE2 PHE 7 5.679 -0.419 9.847 54 HZ PHE 7 HZ PHE 7 6.431 1.037 8.023 55 H ILE 8 H ILE 8 0.433 0.537 11.711 56 HA ILE 8 HA ILE 8 0.642 -1.119 9.417 57 HB ILE 8 HB ILE 8 -0.890 -1.597 12.021 58 HG12 ILE 8 2HG1 ILE 8 1.859 -2.614 11.141 59 HG13 ILE 8 1HG1 ILE 8 1.592 -1.295 12.273 60 HG21 ILE 8 1HG2 ILE 8 -0.889 -4.007 11.411 61 HG22 ILE 8 2HG2 ILE 8 -0.168 -3.608 9.849 62 HG23 ILE 8 3HG2 ILE 8 -1.794 -3.045 10.241 63 HD11 ILE 8 1HD1 ILE 8 0.524 -2.842 13.827 64 HD12 ILE 8 2HD1 ILE 8 2.167 -3.334 13.428 65 HD13 ILE 8 3HD1 ILE 8 0.798 -4.172 12.699 66 H ASN 9 H ASN 9 -1.996 0.684 10.929 67 HA ASN 9 HA ASN 9 -4.139 -0.120 9.264 68 HB2 ASN 9 2HB ASN 9 -4.501 0.956 11.451 69 HB3 ASN 9 1HB ASN 9 -3.733 2.430 10.884 70 HD21 ASN 9 1HD2 ASN 9 -6.583 0.411 10.629 71 HD22 ASN 9 2HD2 ASN 9 -7.620 1.628 9.983 72 H ARG 10 H ARG 10 -1.584 2.306 8.877 73 HA ARG 10 HA ARG 10 -2.539 3.686 6.591 74 HB2 ARG 10 2HB ARG 10 0.349 3.016 7.339 75 HB3 ARG 10 1HB ARG 10 -0.108 4.134 6.074 76 HG2 ARG 10 2HG ARG 10 -1.087 5.644 7.739 77 HG3 ARG 10 1HG ARG 10 -0.656 4.513 9.018 78 HD2 ARG 10 2HD ARG 10 1.794 4.781 7.996 79 HD3 ARG 10 1HD ARG 10 1.134 6.301 7.386 80 HE ARG 10 HE ARG 10 0.469 6.361 10.016 81 HH11 ARG 10 1HH1 ARG 10 3.555 5.850 8.382 82 HH12 ARG 10 2HH1 ARG 10 4.492 6.502 9.683 83 HH21 ARG 10 1HH2 ARG 10 1.718 7.182 11.731 84 HH22 ARG 10 2HH2 ARG 10 3.449 7.260 11.591 85 H TRP 11 H TRP 11 -0.362 0.876 6.928 86 HA TRP 11 HA TRP 11 -0.276 0.359 4.096 87 HB2 TRP 11 2HB TRP 11 0.782 -1.192 6.478 88 HB3 TRP 11 1HB TRP 11 0.980 -1.748 4.813 89 HD1 TRP 11 HD1 TRP 11 2.574 0.549 7.314 90 HE1 TRP 11 HE1 TRP 11 4.479 1.862 6.194 91 HE3 TRP 11 HE3 TRP 11 1.554 -0.497 2.396 92 HZ2 TRP 11 HZ2 TRP 11 5.427 2.410 3.607 93 HZ3 TRP 11 HZ3 TRP 11 3.003 0.486 0.658 94 HH2 TRP 11 HH2 TRP 11 4.901 1.913 1.253 95 H GLN 12 H GLN 12 -2.403 -0.718 6.628 96 HA GLN 12 HA GLN 12 -3.612 -2.879 5.188 97 HB2 GLN 12 2HB GLN 12 -4.685 -1.153 7.465 98 HB3 GLN 12 1HB GLN 12 -5.594 -2.484 6.751 99 HG2 GLN 12 2HG GLN 12 -3.861 -4.063 7.457 100 HG3 GLN 12 1HG GLN 12 -2.925 -2.743 8.154 101 HE21 GLN 12 1HE2 GLN 12 -5.735 -4.769 8.516 102 HE22 GLN 12 2HE2 GLN 12 -6.092 -4.317 10.147 103 H ARG 13 H ARG 13 -4.120 0.612 5.471 104 HA ARG 13 HA ARG 13 -6.522 0.884 4.055 105 HB2 ARG 13 2HB ARG 13 -5.422 2.689 5.413 106 HB3 ARG 13 1HB ARG 13 -4.194 2.848 4.168 107 HG2 ARG 13 2HG ARG 13 -5.780 4.644 3.918 108 HG3 ARG 13 1HG ARG 13 -5.962 3.546 2.548 109 HD2 ARG 13 2HD ARG 13 -7.966 2.573 3.545 110 HD3 ARG 13 1HD ARG 13 -7.751 3.536 5.011 111 HE ARG 13 HE ARG 13 -8.853 4.391 2.475 112 HH11 ARG 13 1HH1 ARG 13 -7.422 5.526 5.487 113 HH12 ARG 13 2HH1 ARG 13 -8.123 7.107 5.363 114 HH21 ARG 13 1HH2 ARG 13 -9.800 6.463 2.354 115 HH22 ARG 13 2HH2 ARG 13 -9.470 7.636 3.591 116 H ILE 14 H ILE 14 -3.118 1.143 2.883 117 HA ILE 14 HA ILE 14 -3.794 1.438 0.134 118 HB ILE 14 HB ILE 14 -1.159 0.274 1.150 119 HG12 ILE 14 2HG1 ILE 14 -1.900 3.222 0.803 120 HG13 ILE 14 1HG1 ILE 14 -1.603 2.410 2.339 121 HG21 ILE 14 1HG2 ILE 14 -0.217 1.222 -0.930 122 HG22 ILE 14 2HG2 ILE 14 -1.807 1.840 -1.383 123 HG23 ILE 14 3HG2 ILE 14 -1.529 0.103 -1.294 124 HD11 ILE 14 1HD1 ILE 14 0.454 2.765 0.152 125 HD12 ILE 14 2HD1 ILE 14 0.718 2.070 1.754 126 HD13 ILE 14 3HD1 ILE 14 0.293 3.769 1.589 127 H ALA 15 H ALA 15 -2.881 -1.473 2.050 128 HA ALA 15 HA ALA 15 -2.724 -3.367 -0.018 129 HB1 ALA 15 1HB ALA 15 -3.506 -3.844 2.887 130 HB2 ALA 15 2HB ALA 15 -1.860 -3.778 2.258 131 HB3 ALA 15 3HB ALA 15 -2.939 -5.077 1.751 132 H LEU 16 H LEU 16 -5.451 -2.435 1.994 133 HA LEU 16 HA LEU 16 -7.307 -4.394 1.033 134 HB2 LEU 16 2HB LEU 16 -7.677 -1.869 2.675 135 HB3 LEU 16 1HB LEU 16 -9.035 -2.891 2.228 136 HG LEU 16 HG LEU 16 -6.663 -3.821 3.903 137 HD11 LEU 16 1HD1 LEU 16 -8.169 -3.738 5.834 138 HD12 LEU 16 2HD1 LEU 16 -9.445 -3.044 4.828 139 HD13 LEU 16 3HD1 LEU 16 -7.956 -2.139 5.122 140 HD21 LEU 16 1HD2 LEU 16 -8.060 -5.786 4.395 141 HD22 LEU 16 2HD2 LEU 16 -7.713 -5.655 2.674 142 HD23 LEU 16 3HD2 LEU 16 -9.303 -5.190 3.288 143 H LEU 17 H LEU 17 -6.808 -0.910 0.366 144 HA LEU 17 HA LEU 17 -9.019 -0.610 -1.383 145 HB2 LEU 17 2HB LEU 17 -6.479 1.020 -1.087 146 HB3 LEU 17 1HB LEU 17 -7.756 1.463 -2.209 147 HG LEU 17 HG LEU 17 -8.024 1.324 0.823 148 HD11 LEU 17 1HD1 LEU 17 -6.691 3.241 0.087 149 HD12 LEU 17 2HD1 LEU 17 -8.247 3.762 0.728 150 HD13 LEU 17 3HD1 LEU 17 -7.978 3.736 -1.019 151 HD21 LEU 17 1HD2 LEU 17 -10.090 2.129 -1.253 152 HD22 LEU 17 2HD2 LEU 17 -10.270 2.288 0.497 153 HD23 LEU 17 3HD2 LEU 17 -10.132 0.689 -0.229 154 H SER 18 H SER 18 -5.564 -1.350 -2.062 155 HA SER 18 HA SER 18 -5.728 -1.312 -4.888 156 HB2 SER 18 2HB SER 18 -3.583 -2.559 -4.836 157 HB3 SER 18 1HB SER 18 -3.576 -1.201 -3.710 158 HG SER 18 HG SER 18 -3.304 -2.534 -2.142 159 H GLN 19 H GLN 19 -6.088 -3.929 -2.497 160 HA GLN 19 HA GLN 19 -6.463 -6.115 -4.203 161 HB2 GLN 19 2HB GLN 19 -6.195 -6.194 -1.690 162 HB3 GLN 19 1HB GLN 19 -7.852 -5.626 -1.530 163 HG2 GLN 19 2HG GLN 19 -7.829 -8.015 -1.204 164 HG3 GLN 19 1HG GLN 19 -8.630 -7.677 -2.738 165 HE21 GLN 19 1HE2 GLN 19 -5.764 -8.975 -1.223 166 HE22 GLN 19 2HE2 GLN 19 -5.162 -9.802 -2.618 167 H SER 20 H SER 20 -8.847 -3.847 -2.821 168 HA SER 20 HA SER 20 -11.197 -4.828 -3.958 169 HB2 SER 20 2HB SER 20 -10.521 -1.913 -3.348 170 HB3 SER 20 1HB SER 20 -12.142 -2.579 -3.556 171 HG SER 20 HG SER 20 -10.496 -2.635 -1.373 172 H LEU 21 H LEU 21 -8.930 -2.361 -5.172 173 HA LEU 21 HA LEU 21 -10.378 -1.667 -7.491 174 HB2 LEU 21 2HB LEU 21 -7.424 -1.280 -6.869 175 HB3 LEU 21 1HB LEU 21 -8.278 -0.510 -8.200 176 HG LEU 21 HG LEU 21 -8.723 -0.018 -5.235 177 HD11 LEU 21 1HD1 LEU 21 -7.941 2.254 -5.690 178 HD12 LEU 21 2HD1 LEU 21 -7.641 1.823 -7.377 179 HD13 LEU 21 3HD1 LEU 21 -6.712 1.053 -6.087 180 HD21 LEU 21 1HD2 LEU 21 -10.229 1.210 -7.556 181 HD22 LEU 21 2HD2 LEU 21 -10.381 1.658 -5.856 182 HD23 LEU 21 3HD2 LEU 21 -10.877 0.057 -6.387 183 H LEU 22 H LEU 22 -7.967 -4.149 -6.820 184 HA LEU 22 HA LEU 22 -7.306 -4.869 -9.477 185 HB2 LEU 22 2HB LEU 22 -5.957 -5.610 -7.552 186 HB3 LEU 22 1HB LEU 22 -7.307 -6.558 -6.952 187 HG LEU 22 HG LEU 22 -7.159 -8.025 -8.991 188 HD11 LEU 22 1HD1 LEU 22 -6.157 -6.443 -10.558 189 HD12 LEU 22 2HD1 LEU 22 -5.204 -7.922 -10.457 190 HD13 LEU 22 3HD1 LEU 22 -4.648 -6.458 -9.638 191 HD21 LEU 22 1HD2 LEU 22 -4.586 -7.858 -7.401 192 HD22 LEU 22 2HD2 LEU 22 -5.163 -9.256 -8.314 193 HD23 LEU 22 3HD2 LEU 22 -6.060 -8.695 -6.905 194 H GLU 23 H GLU 23 -9.541 -6.354 -7.131 195 HA GLU 23 HA GLU 23 -10.685 -8.295 -8.788 196 HB2 GLU 23 2HB GLU 23 -11.935 -6.837 -6.420 197 HB3 GLU 23 1HB GLU 23 -12.506 -8.369 -7.089 198 HG2 GLU 23 2HG GLU 23 -10.470 -9.498 -6.415 199 HG3 GLU 23 1HG GLU 23 -9.727 -7.974 -5.929 200 H LEU 24 H LEU 24 -11.759 -4.988 -8.087 201 HA LEU 24 HA LEU 24 -14.201 -5.030 -9.502 202 HB2 LEU 24 2HB LEU 24 -12.453 -2.687 -8.662 203 HB3 LEU 24 1HB LEU 24 -14.078 -2.513 -9.315 204 HG LEU 24 HG LEU 24 -13.387 -3.958 -6.727 205 HD11 LEU 24 1HD1 LEU 24 -14.651 -1.233 -7.096 206 HD12 LEU 24 2HD1 LEU 24 -13.010 -1.553 -6.529 207 HD13 LEU 24 3HD1 LEU 24 -14.389 -2.070 -5.562 208 HD21 LEU 24 1HD2 LEU 24 -15.370 -4.911 -7.778 209 HD22 LEU 24 2HD2 LEU 24 -16.094 -3.307 -7.932 210 HD23 LEU 24 3HD2 LEU 24 -15.815 -4.006 -6.333 211 H ALA 25 H ALA 25 -10.914 -4.014 -10.447 212 HA ALA 25 HA ALA 25 -11.497 -2.917 -12.979 213 HB1 ALA 25 1HB ALA 25 -9.327 -2.623 -11.852 214 HB2 ALA 25 2HB ALA 25 -9.116 -3.270 -13.480 215 HB3 ALA 25 3HB ALA 25 -8.970 -4.336 -12.080 216 H GLN 26 H GLN 26 -10.624 -6.205 -11.975 217 HA GLN 26 HA GLN 26 -10.630 -7.456 -14.521 218 HB2 GLN 26 2HB GLN 26 -11.157 -8.673 -11.774 219 HB3 GLN 26 1HB GLN 26 -10.744 -9.581 -13.229 220 HG2 GLN 26 2HG GLN 26 -8.528 -8.618 -13.288 221 HG3 GLN 26 1HG GLN 26 -8.923 -7.495 -11.987 222 HE21 GLN 26 1HE2 GLN 26 -6.761 -9.417 -12.057 223 HE22 GLN 26 2HE2 GLN 26 -6.997 -10.477 -10.717 224 H ARG 27 H ARG 27 -13.183 -6.745 -12.205 225 HA ARG 27 HA ARG 27 -15.246 -8.255 -13.592 226 HB2 ARG 27 2HB ARG 27 -15.405 -6.294 -11.257 227 HB3 ARG 27 1HB ARG 27 -16.771 -7.236 -11.863 228 HG2 ARG 27 2HG ARG 27 -15.613 -9.328 -11.282 229 HG3 ARG 27 1HG ARG 27 -14.210 -8.418 -10.728 230 HD2 ARG 27 2HD ARG 27 -15.613 -7.397 -8.940 231 HD3 ARG 27 1HD ARG 27 -16.985 -8.374 -9.483 232 HE ARG 27 HE ARG 27 -14.450 -9.532 -8.457 233 HH11 ARG 27 1HH1 ARG 27 -17.976 -9.608 -8.582 234 HH12 ARG 27 2HH1 ARG 27 -18.091 -11.010 -7.568 235 HH21 ARG 27 1HH2 ARG 27 -14.621 -11.369 -7.172 236 HH22 ARG 27 2HH2 ARG 27 -16.183 -12.005 -6.771 237 H GLY 28 H GLY 28 -13.763 -5.312 -14.226 238 HA2 GLY 28 2HA GLY 28 -14.209 -3.907 -16.027 239 HA3 GLY 28 1HA GLY 28 -15.827 -4.574 -16.158 240 H GLU 29 H GLU 29 -15.202 -3.701 -12.995 241 HA GLU 29 HA GLU 29 -16.927 -1.382 -13.062 242 HB2 GLU 29 2HB GLU 29 -15.476 -2.764 -10.766 243 HB3 GLU 29 1HB GLU 29 -16.680 -1.494 -10.579 244 HG2 GLU 29 2HG GLU 29 -17.224 -4.199 -11.849 245 HG3 GLU 29 1HG GLU 29 -17.535 -3.810 -10.155 246 H TRP 30 H TRP 30 -15.001 -0.501 -14.539 247 HA TRP 30 HA TRP 30 -12.638 0.532 -13.379 248 HB2 TRP 30 2HB TRP 30 -14.127 1.546 -15.842 249 HB3 TRP 30 1HB TRP 30 -12.450 1.904 -15.436 250 HD1 TRP 30 HD1 TRP 30 -14.496 -0.530 -17.383 251 HE1 TRP 30 HE1 TRP 30 -13.032 -2.487 -18.178 252 HE3 TRP 30 HE3 TRP 30 -10.320 0.335 -14.522 253 HZ2 TRP 30 HZ2 TRP 30 -10.473 -3.529 -17.669 254 HZ3 TRP 30 HZ3 TRP 30 -8.408 -1.203 -14.748 255 HH2 TRP 30 HH2 TRP 30 -8.489 -3.092 -16.288 256 H ASP 31 H ASP 31 -15.902 1.777 -13.664 257 HA ASP 31 HA ASP 31 -15.589 4.482 -13.060 258 HB2 ASP 31 2HB ASP 31 -17.883 2.661 -12.199 259 HB3 ASP 31 1HB ASP 31 -17.952 4.417 -12.308 260 H LEU 32 H LEU 32 -15.867 1.666 -10.921 261 HA LEU 32 HA LEU 32 -15.940 3.064 -8.454 262 HB2 LEU 32 2HB LEU 32 -15.188 0.186 -9.084 263 HB3 LEU 32 1HB LEU 32 -15.336 0.814 -7.447 264 HG LEU 32 HG LEU 32 -17.579 0.610 -9.496 265 HD11 LEU 32 1HD1 LEU 32 -17.173 -0.920 -6.919 266 HD12 LEU 32 2HD1 LEU 32 -16.930 -1.549 -8.550 267 HD13 LEU 32 3HD1 LEU 32 -18.542 -1.068 -8.028 268 HD21 LEU 32 1HD2 LEU 32 -17.727 1.624 -6.636 269 HD22 LEU 32 2HD2 LEU 32 -19.095 1.372 -7.727 270 HD23 LEU 32 3HD2 LEU 32 -17.893 2.603 -8.097 271 H LEU 33 H LEU 33 -13.259 1.802 -10.427 272 HA LEU 33 HA LEU 33 -11.164 2.413 -8.595 273 HB2 LEU 33 2HB LEU 33 -11.193 2.034 -11.603 274 HB3 LEU 33 1HB LEU 33 -9.736 2.566 -10.784 275 HG LEU 33 HG LEU 33 -9.856 0.450 -9.373 276 HD11 LEU 33 1HD1 LEU 33 -11.921 -0.420 -11.405 277 HD12 LEU 33 2HD1 LEU 33 -12.199 -0.130 -9.686 278 HD13 LEU 33 3HD1 LEU 33 -11.151 -1.453 -10.193 279 HD21 LEU 33 1HD2 LEU 33 -8.279 0.692 -11.223 280 HD22 LEU 33 2HD2 LEU 33 -9.488 0.082 -12.358 281 HD23 LEU 33 3HD2 LEU 33 -8.852 -0.971 -11.090 282 H LEU 34 H LEU 34 -12.820 4.291 -11.099 283 HA LEU 34 HA LEU 34 -11.129 6.598 -10.946 284 HB2 LEU 34 2HB LEU 34 -13.926 6.312 -12.103 285 HB3 LEU 34 1HB LEU 34 -12.858 7.686 -12.364 286 HG LEU 34 HG LEU 34 -12.393 4.840 -13.341 287 HD11 LEU 34 1HD1 LEU 34 -12.683 5.751 -15.588 288 HD12 LEU 34 2HD1 LEU 34 -13.036 7.344 -14.913 289 HD13 LEU 34 3HD1 LEU 34 -14.129 5.991 -14.607 290 HD21 LEU 34 1HD2 LEU 34 -10.250 5.856 -12.775 291 HD22 LEU 34 2HD2 LEU 34 -10.639 7.286 -13.737 292 HD23 LEU 34 3HD2 LEU 34 -10.420 5.719 -14.523 293 H GLN 35 H GLN 35 -13.911 5.511 -9.150 294 HA GLN 35 HA GLN 35 -14.462 8.097 -7.899 295 HB2 GLN 35 2HB GLN 35 -15.590 5.300 -7.422 296 HB3 GLN 35 1HB GLN 35 -16.099 6.718 -6.503 297 HG2 GLN 35 2HG GLN 35 -16.968 7.770 -8.517 298 HG3 GLN 35 1HG GLN 35 -16.353 6.458 -9.516 299 HE21 GLN 35 1HE2 GLN 35 -17.414 4.445 -9.462 300 HE22 GLN 35 2HE2 GLN 35 -19.011 4.267 -8.832 301 H GLN 36 H GLN 36 -12.776 5.108 -7.154 302 HA GLN 36 HA GLN 36 -12.039 5.907 -4.456 303 HB2 GLN 36 2HB GLN 36 -11.396 3.461 -6.145 304 HB3 GLN 36 1HB GLN 36 -10.654 3.730 -4.570 305 HG2 GLN 36 2HG GLN 36 -13.644 3.501 -5.055 306 HG3 GLN 36 1HG GLN 36 -12.601 2.195 -4.490 307 HE21 GLN 36 1HE2 GLN 36 -14.071 5.264 -3.636 308 HE22 GLN 36 2HE2 GLN 36 -13.794 5.141 -1.935 309 H GLU 37 H GLU 37 -10.871 6.466 -7.582 310 HA GLU 37 HA GLU 37 -8.177 6.376 -7.631 311 HB2 GLU 37 2HB GLU 37 -9.533 7.141 -9.503 312 HB3 GLU 37 1HB GLU 37 -9.973 8.608 -8.633 313 HG2 GLU 37 2HG GLU 37 -7.570 9.304 -8.683 314 HG3 GLU 37 1HG GLU 37 -7.221 7.889 -9.675 315 H VAL 38 H VAL 38 -9.872 9.386 -6.571 316 HA VAL 38 HA VAL 38 -7.484 10.659 -5.720 317 HB VAL 38 HB VAL 38 -10.401 11.362 -5.135 318 HG11 VAL 38 1HG1 VAL 38 -8.965 12.405 -3.424 319 HG12 VAL 38 2HG1 VAL 38 -9.595 13.630 -4.528 320 HG13 VAL 38 3HG1 VAL 38 -7.925 13.073 -4.682 321 HG21 VAL 38 1HG2 VAL 38 -8.449 12.498 -7.180 322 HG22 VAL 38 2HG2 VAL 38 -10.107 13.053 -6.925 323 HG23 VAL 38 3HG2 VAL 38 -9.803 11.425 -7.535 324 H SER 39 H SER 39 -9.925 8.729 -4.033 325 HA SER 39 HA SER 39 -9.072 9.151 -1.373 326 HB2 SER 39 2HB SER 39 -10.418 6.703 -2.604 327 HB3 SER 39 1HB SER 39 -10.263 7.013 -0.872 328 HG SER 39 HG SER 39 -11.305 9.144 -2.178 329 H TYR 40 H TYR 40 -7.916 6.961 -3.893 330 HA TYR 40 HA TYR 40 -6.333 5.326 -2.130 331 HB2 TYR 40 2HB TYR 40 -7.392 4.428 -4.229 332 HB3 TYR 40 1HB TYR 40 -6.297 5.428 -5.180 333 HD1 TYR 40 HD1 TYR 40 -6.074 3.004 -2.327 334 HD2 TYR 40 HD2 TYR 40 -4.401 4.276 -6.042 335 HE1 TYR 40 HE1 TYR 40 -4.428 1.201 -2.183 336 HE2 TYR 40 HE2 TYR 40 -2.747 2.468 -5.897 337 HH TYR 40 HH TYR 40 -1.684 1.060 -4.099 338 H LEU 41 H LEU 41 -5.728 7.862 -4.549 339 HA LEU 41 HA LEU 41 -2.901 7.885 -4.396 340 HB2 LEU 41 2HB LEU 41 -4.731 10.203 -5.145 341 HB3 LEU 41 1HB LEU 41 -3.025 10.053 -5.549 342 HG LEU 41 HG LEU 41 -5.289 8.333 -6.639 343 HD11 LEU 41 1HD1 LEU 41 -3.589 10.407 -8.034 344 HD12 LEU 41 2HD1 LEU 41 -5.291 10.563 -7.590 345 HD13 LEU 41 3HD1 LEU 41 -4.805 9.374 -8.794 346 HD21 LEU 41 1HD2 LEU 41 -3.258 6.981 -6.409 347 HD22 LEU 41 2HD2 LEU 41 -2.344 8.173 -7.338 348 HD23 LEU 41 3HD2 LEU 41 -3.655 7.268 -8.101 349 H GLN 42 H GLN 42 -5.442 9.732 -2.732 350 HA GLN 42 HA GLN 42 -3.930 11.363 -1.051 351 HB2 GLN 42 2HB GLN 42 -6.375 11.596 -1.259 352 HB3 GLN 42 1HB GLN 42 -6.614 10.030 -0.492 353 HG2 GLN 42 2HG GLN 42 -5.654 10.912 1.610 354 HG3 GLN 42 1HG GLN 42 -5.422 12.484 0.844 355 HE21 GLN 42 1HE2 GLN 42 -6.999 11.810 3.193 356 HE22 GLN 42 2HE2 GLN 42 -8.617 12.311 2.855 357 H SER 43 H SER 43 -5.226 8.088 -0.429 358 HA SER 43 HA SER 43 -4.216 7.717 2.132 359 HB2 SER 43 2HB SER 43 -4.877 5.672 -0.020 360 HB3 SER 43 1HB SER 43 -4.480 5.242 1.646 361 HG SER 43 HG SER 43 -6.793 6.297 0.617 362 H ILE 44 H ILE 44 -2.754 6.610 -0.969 363 HA ILE 44 HA ILE 44 -0.602 5.278 0.239 364 HB ILE 44 HB ILE 44 -1.358 4.769 -2.069 365 HG12 ILE 44 2HG1 ILE 44 1.599 5.532 -1.970 366 HG13 ILE 44 1HG1 ILE 44 0.914 4.052 -1.309 367 HG21 ILE 44 1HG2 ILE 44 -0.010 7.355 -2.911 368 HG22 ILE 44 2HG2 ILE 44 -1.747 7.049 -2.904 369 HG23 ILE 44 3HG2 ILE 44 -0.702 6.139 -3.994 370 HD11 ILE 44 1HD1 ILE 44 0.969 4.832 -4.227 371 HD12 ILE 44 2HD1 ILE 44 0.243 3.363 -3.569 372 HD13 ILE 44 3HD1 ILE 44 1.980 3.625 -3.430 373 H GLU 45 H GLU 45 -0.840 8.639 -1.048 374 HA GLU 45 HA GLU 45 1.922 9.221 -0.537 375 HB2 GLU 45 2HB GLU 45 -0.402 11.091 -1.111 376 HB3 GLU 45 1HB GLU 45 1.273 11.621 -0.933 377 HG2 GLU 45 2HG GLU 45 1.816 9.924 -2.814 378 HG3 GLU 45 1HG GLU 45 0.080 9.875 -3.102 379 H THR 46 H THR 46 -1.054 9.729 1.377 380 HA THR 46 HA THR 46 -0.005 11.184 3.526 381 HB THR 46 HB THR 46 -2.206 9.059 3.585 382 HG1 THR 46 HG1 THR 46 -3.328 10.584 2.659 383 HG21 THR 46 1HG2 THR 46 -1.397 9.502 5.891 384 HG22 THR 46 2HG2 THR 46 -3.009 10.180 5.649 385 HG23 THR 46 3HG2 THR 46 -1.600 11.239 5.627 386 H VAL 47 H VAL 47 0.044 7.722 2.854 387 HA VAL 47 HA VAL 47 1.143 6.810 5.317 388 HB VAL 47 HB VAL 47 1.112 5.491 2.564 389 HG11 VAL 47 1HG1 VAL 47 2.833 4.430 3.957 390 HG12 VAL 47 2HG1 VAL 47 1.462 3.337 3.764 391 HG13 VAL 47 3HG1 VAL 47 1.677 4.226 5.274 392 HG21 VAL 47 1HG2 VAL 47 -0.861 4.247 3.432 393 HG22 VAL 47 2HG2 VAL 47 -1.145 5.982 3.387 394 HG23 VAL 47 3HG2 VAL 47 -0.793 5.198 4.917 395 H MET 48 H MET 48 2.578 7.441 2.099 396 HA MET 48 HA MET 48 5.206 6.588 2.683 397 HB2 MET 48 2HB MET 48 4.190 8.528 0.562 398 HB3 MET 48 1HB MET 48 5.860 7.974 0.639 399 HG2 MET 48 2HG MET 48 5.044 5.633 0.370 400 HG3 MET 48 1HG MET 48 3.411 6.267 0.148 401 HE1 MET 48 1HE MET 48 3.739 8.191 -3.265 402 HE2 MET 48 2HE MET 48 3.801 8.876 -1.642 403 HE3 MET 48 3HE MET 48 2.625 7.616 -2.026 404 H GLU 49 H GLU 49 3.683 9.770 2.890 405 HA GLU 49 HA GLU 49 6.150 11.156 3.570 406 HB2 GLU 49 2HB GLU 49 3.286 12.186 3.426 407 HB3 GLU 49 1HB GLU 49 4.742 13.179 3.538 408 HG2 GLU 49 2HG GLU 49 5.459 12.471 1.328 409 HG3 GLU 49 1HG GLU 49 4.131 11.316 1.221 410 H LYS 50 H LYS 50 4.229 9.220 5.392 411 HA LYS 50 HA LYS 50 4.327 10.925 7.807 412 HB2 LYS 50 2HB LYS 50 2.221 9.421 6.877 413 HB3 LYS 50 1HB LYS 50 2.953 8.259 7.963 414 HG2 LYS 50 2HG LYS 50 1.172 9.525 9.081 415 HG3 LYS 50 1HG LYS 50 2.736 9.860 9.832 416 HD2 LYS 50 2HD LYS 50 1.409 11.940 9.563 417 HD3 LYS 50 1HD LYS 50 2.892 12.007 8.612 418 HE2 LYS 50 2HE LYS 50 1.502 11.319 6.589 419 HE3 LYS 50 1HE LYS 50 0.065 11.514 7.594 420 HZ1 LYS 50 1HZ LYS 50 0.589 13.463 6.212 421 HZ2 LYS 50 2HZ LYS 50 2.037 13.670 7.058 422 HZ3 LYS 50 3HZ LYS 50 0.563 13.820 7.862 423 H GLN 51 H GLN 51 5.493 10.318 9.584 424 HA GLN 51 HA GLN 51 7.919 8.972 8.957 425 HB2 GLN 51 2HB GLN 51 7.721 11.021 10.406 426 HB3 GLN 51 1HB GLN 51 6.994 10.028 11.663 427 HG2 GLN 51 2HG GLN 51 9.095 8.691 11.771 428 HG3 GLN 51 1HG GLN 51 9.809 9.753 10.562 429 HE21 GLN 51 1HE2 GLN 51 8.623 12.204 11.710 430 HE22 GLN 51 2HE2 GLN 51 9.519 12.510 13.152 431 H THR 52 H THR 52 8.836 7.162 9.868 432 HA THR 52 HA THR 52 7.232 4.925 10.506 433 HB THR 52 HB THR 52 10.237 5.255 10.923 434 HG1 THR 52 HG1 THR 52 10.426 4.685 8.754 435 HG21 THR 52 1HG2 THR 52 10.362 2.831 10.481 436 HG22 THR 52 2HG2 THR 52 8.606 2.750 10.285 437 HG23 THR 52 3HG2 THR 52 9.304 3.138 11.863 438 HA PRO 53 HA PRO 53 6.993 5.721 14.989 439 HB2 PRO 53 2HB PRO 53 5.658 3.466 15.739 440 HB3 PRO 53 1HB PRO 53 4.860 4.755 14.809 441 HG2 PRO 53 2HG PRO 53 6.034 2.171 13.808 442 HG3 PRO 53 1HG PRO 53 4.466 2.915 13.420 443 HD2 PRO 53 2HD PRO 53 6.632 3.149 11.788 444 HD3 PRO 53 1HD PRO 53 5.389 4.415 11.912 445 HA PRO 54 HA PRO 54 10.519 3.516 16.673 446 HB2 PRO 54 2HB PRO 54 10.061 3.736 19.381 447 HB3 PRO 54 1HB PRO 54 10.583 5.097 18.368 448 HG2 PRO 54 2HG PRO 54 7.824 4.421 19.338 449 HG3 PRO 54 1HG PRO 54 8.629 6.005 19.251 450 HD2 PRO 54 2HD PRO 54 6.820 5.185 17.379 451 HD3 PRO 54 1HD PRO 54 8.175 6.267 16.984 452 H GLY 55 H GLY 55 7.383 2.535 18.122 453 HA2 GLY 55 2HA GLY 55 8.465 0.102 19.265 454 HA3 GLY 55 1HA GLY 55 6.811 0.670 19.345 455 H ILE 56 H ILE 56 9.119 -0.677 16.975 456 HA ILE 56 HA ILE 56 6.964 -2.197 15.633 457 HB ILE 56 HB ILE 56 9.881 -1.824 14.807 458 HG12 ILE 56 2HG1 ILE 56 8.430 0.332 14.736 459 HG13 ILE 56 1HG1 ILE 56 9.287 -0.109 13.265 460 HG21 ILE 56 1HG2 ILE 56 9.169 -2.716 12.599 461 HG22 ILE 56 2HG2 ILE 56 7.551 -2.995 13.242 462 HG23 ILE 56 3HG2 ILE 56 8.923 -3.885 13.899 463 HD11 ILE 56 1HD1 ILE 56 7.261 -0.952 12.288 464 HD12 ILE 56 2HD1 ILE 56 7.027 0.700 12.862 465 HD13 ILE 56 3HD1 ILE 56 6.374 -0.651 13.788 466 H THR 57 H THR 57 6.995 -4.478 15.738 467 HA THR 57 HA THR 57 9.274 -5.831 17.086 468 HB THR 57 HB THR 57 7.729 -7.687 17.612 469 HG1 THR 57 HG1 THR 57 5.371 -7.097 17.220 470 HG21 THR 57 1HG2 THR 57 6.534 -5.018 18.467 471 HG22 THR 57 2HG2 THR 57 7.869 -5.852 19.271 472 HG23 THR 57 3HG2 THR 57 6.261 -6.577 19.255 473 H ARG 58 H ARG 58 9.468 -8.179 16.225 474 HA ARG 58 HA ARG 58 10.168 -8.224 13.512 475 HB2 ARG 58 2HB ARG 58 11.065 -9.806 15.239 476 HB3 ARG 58 1HB ARG 58 9.500 -10.600 15.316 477 HG2 ARG 58 2HG ARG 58 11.022 -11.944 13.988 478 HG3 ARG 58 1HG ARG 58 9.758 -11.302 12.938 479 HD2 ARG 58 2HD ARG 58 11.277 -9.601 12.075 480 HD3 ARG 58 1HD ARG 58 12.531 -10.090 13.217 481 HE ARG 58 HE ARG 58 12.610 -12.251 12.021 482 HH11 ARG 58 1HH1 ARG 58 11.274 -9.491 10.293 483 HH12 ARG 58 2HH1 ARG 58 11.633 -10.145 8.730 484 HH21 ARG 58 1HH2 ARG 58 13.075 -13.086 9.959 485 HH22 ARG 58 2HH2 ARG 58 12.654 -12.181 8.542 486 H SER 59 H SER 59 7.263 -9.387 15.214 487 HA SER 59 HA SER 59 5.794 -10.514 13.139 488 HB2 SER 59 2HB SER 59 4.724 -8.939 15.524 489 HB3 SER 59 1HB SER 59 3.832 -10.141 14.583 490 HG SER 59 HG SER 59 4.635 -11.069 16.458 491 H ILE 60 H ILE 60 5.757 -7.156 14.356 492 HA ILE 60 HA ILE 60 3.882 -6.059 12.571 493 HB ILE 60 HB ILE 60 6.167 -4.732 14.088 494 HG12 ILE 60 2HG1 ILE 60 3.178 -4.806 14.709 495 HG13 ILE 60 1HG1 ILE 60 4.378 -5.850 15.459 496 HG21 ILE 60 1HG2 ILE 60 5.022 -2.561 13.719 497 HG22 ILE 60 2HG2 ILE 60 3.863 -3.359 12.655 498 HG23 ILE 60 3HG2 ILE 60 5.566 -3.278 12.202 499 HD11 ILE 60 1HD1 ILE 60 4.239 -2.852 15.709 500 HD12 ILE 60 2HD1 ILE 60 5.461 -3.887 16.447 501 HD13 ILE 60 3HD1 ILE 60 3.771 -4.036 16.925 502 H GLN 61 H GLN 61 7.418 -6.345 12.350 503 HA GLN 61 HA GLN 61 7.896 -4.810 10.060 504 HB2 GLN 61 2HB GLN 61 9.699 -5.568 11.540 505 HB3 GLN 61 1HB GLN 61 9.378 -7.250 11.128 506 HG2 GLN 61 2HG GLN 61 10.021 -6.700 8.745 507 HG3 GLN 61 1HG GLN 61 10.512 -5.101 9.306 508 HE21 GLN 61 1HE2 GLN 61 12.662 -5.484 8.672 509 HE22 GLN 61 2HE2 GLN 61 13.708 -6.537 9.552 510 H ASP 62 H ASP 62 7.214 -8.311 10.399 511 HA ASP 62 HA ASP 62 7.371 -8.885 7.595 512 HB2 ASP 62 2HB ASP 62 6.331 -10.471 9.970 513 HB3 ASP 62 1HB ASP 62 6.278 -11.112 8.329 514 H MET 63 H MET 63 4.670 -8.040 9.741 515 HA MET 63 HA MET 63 2.618 -8.757 7.848 516 HB2 MET 63 2HB MET 63 2.439 -7.008 10.332 517 HB3 MET 63 1HB MET 63 1.057 -7.482 9.347 518 HG2 MET 63 2HG MET 63 1.533 -9.853 9.841 519 HG3 MET 63 1HG MET 63 2.868 -9.359 10.883 520 HE1 MET 63 1HE MET 63 1.403 -6.621 12.152 521 HE2 MET 63 2HE MET 63 2.455 -7.718 13.049 522 HE3 MET 63 3HE MET 63 0.845 -7.337 13.662 523 H VAL 64 H VAL 64 4.201 -5.704 8.759 524 HA VAL 64 HA VAL 64 2.775 -3.975 7.035 525 HB VAL 64 HB VAL 64 5.559 -3.712 8.270 526 HG11 VAL 64 1HG1 VAL 64 4.036 -1.607 6.687 527 HG12 VAL 64 2HG1 VAL 64 5.553 -2.368 6.212 528 HG13 VAL 64 3HG1 VAL 64 5.508 -1.302 7.618 529 HG21 VAL 64 1HG2 VAL 64 4.448 -2.064 9.761 530 HG22 VAL 64 2HG2 VAL 64 3.677 -3.650 9.868 531 HG23 VAL 64 3HG2 VAL 64 2.913 -2.360 8.936 532 H ALA 65 H ALA 65 5.998 -5.523 6.657 533 HA ALA 65 HA ALA 65 6.440 -4.766 3.983 534 HB1 ALA 65 1HB ALA 65 8.246 -5.567 5.458 535 HB2 ALA 65 2HB ALA 65 8.202 -6.466 3.940 536 HB3 ALA 65 3HB ALA 65 7.558 -7.194 5.419 537 H GLY 66 H GLY 66 4.719 -7.518 5.380 538 HA2 GLY 66 2HA GLY 66 4.259 -9.053 3.054 539 HA3 GLY 66 1HA GLY 66 3.256 -9.045 4.495 540 H TYR 67 H TYR 67 2.491 -6.338 4.503 541 HA TYR 67 HA TYR 67 0.358 -6.329 2.579 542 HB2 TYR 67 2HB TYR 67 1.178 -4.366 4.747 543 HB3 TYR 67 1HB TYR 67 -0.173 -4.053 3.657 544 HD1 TYR 67 HD1 TYR 67 -0.548 -7.443 3.905 545 HD2 TYR 67 HD2 TYR 67 -0.743 -4.001 6.434 546 HE1 TYR 67 HE1 TYR 67 -2.109 -8.620 5.380 547 HE2 TYR 67 HE2 TYR 67 -2.297 -5.183 7.893 548 HH TYR 67 HH TYR 67 -2.868 -8.524 7.727 549 H ILE 68 H ILE 68 3.465 -4.632 2.875 550 HA ILE 68 HA ILE 68 3.069 -2.721 0.819 551 HB ILE 68 HB ILE 68 5.735 -4.023 1.589 552 HG12 ILE 68 2HG1 ILE 68 4.519 -1.420 2.631 553 HG13 ILE 68 1HG1 ILE 68 4.642 -2.913 3.542 554 HG21 ILE 68 1HG2 ILE 68 5.192 -1.405 0.114 555 HG22 ILE 68 2HG2 ILE 68 5.836 -2.883 -0.603 556 HG23 ILE 68 3HG2 ILE 68 6.787 -2.001 0.591 557 HD11 ILE 68 1HD1 ILE 68 6.356 -1.343 4.205 558 HD12 ILE 68 2HD1 ILE 68 6.957 -1.260 2.549 559 HD13 ILE 68 3HD1 ILE 68 7.082 -2.768 3.460 560 H LYS 69 H LYS 69 4.707 -5.899 0.784 561 HA LYS 69 HA LYS 69 5.146 -6.274 -1.920 562 HB2 LYS 69 2HB LYS 69 6.101 -7.733 -0.190 563 HB3 LYS 69 1HB LYS 69 4.505 -8.314 0.254 564 HG2 LYS 69 2HG LYS 69 5.751 -9.987 -1.049 565 HG3 LYS 69 1HG LYS 69 4.285 -9.469 -1.889 566 HD2 LYS 69 2HD LYS 69 5.622 -7.985 -3.340 567 HD3 LYS 69 1HD LYS 69 7.097 -8.449 -2.486 568 HE2 LYS 69 2HE LYS 69 6.967 -10.697 -3.339 569 HE3 LYS 69 1HE LYS 69 5.334 -10.430 -3.959 570 HZ1 LYS 69 1HZ LYS 69 6.995 -10.339 -5.714 571 HZ2 LYS 69 2HZ LYS 69 7.773 -9.053 -4.937 572 HZ3 LYS 69 3HZ LYS 69 6.205 -8.854 -5.540 573 H GLN 70 H GLN 70 2.248 -7.066 -0.008 574 HA GLN 70 HA GLN 70 0.748 -8.398 -1.960 575 HB2 GLN 70 2HB GLN 70 0.138 -8.434 0.423 576 HB3 GLN 70 1HB GLN 70 -0.247 -6.714 0.380 577 HG2 GLN 70 2HG GLN 70 -2.059 -7.200 -1.267 578 HG3 GLN 70 1HG GLN 70 -1.695 -8.919 -1.127 579 HE21 GLN 70 1HE2 GLN 70 -3.765 -9.397 -0.394 580 HE22 GLN 70 2HE2 GLN 70 -4.323 -8.951 1.176 581 H THR 71 H THR 71 0.742 -4.910 -1.054 582 HA THR 71 HA THR 71 -1.339 -4.298 -2.947 583 HB THR 71 HB THR 71 -1.249 -3.039 -0.855 584 HG1 THR 71 HG1 THR 71 -0.821 -1.497 -3.209 585 HG21 THR 71 1HG2 THR 71 0.385 -1.313 -0.386 586 HG22 THR 71 2HG2 THR 71 1.305 -1.734 -1.838 587 HG23 THR 71 3HG2 THR 71 1.193 -2.878 -0.499 588 H LEU 72 H LEU 72 2.172 -4.271 -2.930 589 HA LEU 72 HA LEU 72 2.612 -2.656 -5.197 590 HB2 LEU 72 2HB LEU 72 4.287 -4.975 -4.154 591 HB3 LEU 72 1HB LEU 72 4.772 -3.956 -5.500 592 HG LEU 72 HG LEU 72 4.567 -3.222 -2.574 593 HD11 LEU 72 1HD1 LEU 72 6.861 -2.453 -2.839 594 HD12 LEU 72 2HD1 LEU 72 6.834 -2.921 -4.542 595 HD13 LEU 72 3HD1 LEU 72 6.690 -4.152 -3.283 596 HD21 LEU 72 1HD2 LEU 72 3.407 -1.430 -3.684 597 HD22 LEU 72 2HD2 LEU 72 4.711 -1.249 -4.866 598 HD23 LEU 72 3HD2 LEU 72 4.992 -0.861 -3.166 599 H ASP 73 H ASP 73 2.304 -6.192 -4.867 600 HA ASP 73 HA ASP 73 2.446 -6.732 -7.641 601 HB2 ASP 73 2HB ASP 73 1.778 -8.374 -5.201 602 HB3 ASP 73 1HB ASP 73 1.497 -9.066 -6.796 603 H ASN 74 H ASN 74 -0.419 -6.472 -5.489 604 HA ASN 74 HA ASN 74 -2.393 -7.226 -7.374 605 HB2 ASN 74 2HB ASN 74 -2.617 -5.303 -5.008 606 HB3 ASN 74 1HB ASN 74 -4.006 -5.854 -5.944 607 HD21 ASN 74 1HD2 ASN 74 -3.652 -6.187 -3.188 608 HD22 ASN 74 2HD2 ASN 74 -3.606 -7.882 -2.862 609 H GLU 75 H GLU 75 -1.280 -3.997 -6.395 610 HA GLU 75 HA GLU 75 -2.753 -2.598 -8.398 611 HB2 GLU 75 2HB GLU 75 -2.055 -1.653 -6.197 612 HB3 GLU 75 1HB GLU 75 -0.384 -1.700 -6.730 613 HG2 GLU 75 2HG GLU 75 -1.117 -0.132 -8.629 614 HG3 GLU 75 1HG GLU 75 -2.618 0.071 -7.724 615 H GLN 76 H GLN 76 0.328 -4.261 -8.447 616 HA GLN 76 HA GLN 76 1.506 -2.873 -10.681 617 HB2 GLN 76 2HB GLN 76 2.825 -4.263 -9.051 618 HB3 GLN 76 1HB GLN 76 2.072 -5.711 -9.705 619 HG2 GLN 76 2HG GLN 76 3.137 -5.264 -11.890 620 HG3 GLN 76 1HG GLN 76 3.878 -3.806 -11.227 621 HE21 GLN 76 1HE2 GLN 76 3.561 -6.937 -9.560 622 HE22 GLN 76 2HE2 GLN 76 5.254 -7.250 -9.471 623 H LEU 77 H LEU 77 -0.408 -5.849 -10.274 624 HA LEU 77 HA LEU 77 -0.636 -6.639 -12.963 625 HB2 LEU 77 2HB LEU 77 -2.593 -6.937 -10.651 626 HB3 LEU 77 1HB LEU 77 -2.797 -7.742 -12.201 627 HG LEU 77 HG LEU 77 -0.431 -8.192 -10.332 628 HD11 LEU 77 1HD1 LEU 77 -2.498 -8.990 -9.301 629 HD12 LEU 77 2HD1 LEU 77 -1.454 -10.332 -9.760 630 HD13 LEU 77 3HD1 LEU 77 -2.870 -9.942 -10.742 631 HD21 LEU 77 1HD2 LEU 77 -1.275 -9.706 -12.828 632 HD22 LEU 77 2HD2 LEU 77 0.066 -10.128 -11.757 633 HD23 LEU 77 3HD2 LEU 77 0.118 -8.631 -12.681 634 H LEU 78 H LEU 78 -2.613 -4.416 -10.970 635 HA LEU 78 HA LEU 78 -4.374 -3.460 -12.927 636 HB2 LEU 78 2HB LEU 78 -3.154 -2.051 -10.535 637 HB3 LEU 78 1HB LEU 78 -4.388 -1.300 -11.538 638 HG LEU 78 HG LEU 78 -4.724 -3.847 -9.911 639 HD11 LEU 78 1HD1 LEU 78 -5.925 -1.096 -9.513 640 HD12 LEU 78 2HD1 LEU 78 -4.654 -1.825 -8.524 641 HD13 LEU 78 3HD1 LEU 78 -6.267 -2.538 -8.552 642 HD21 LEU 78 1HD2 LEU 78 -7.096 -3.702 -10.611 643 HD22 LEU 78 2HD2 LEU 78 -6.012 -3.990 -11.964 644 HD23 LEU 78 3HD2 LEU 78 -6.685 -2.378 -11.702 645 H LYS 79 H LYS 79 -1.128 -2.200 -12.099 646 HA LYS 79 HA LYS 79 -1.115 0.026 -13.790 647 HB2 LYS 79 2HB LYS 79 1.172 -1.640 -12.670 648 HB3 LYS 79 1HB LYS 79 1.452 -0.172 -13.604 649 HG2 LYS 79 2HG LYS 79 -0.083 -0.319 -10.983 650 HG3 LYS 79 1HG LYS 79 1.586 0.227 -11.164 651 HD2 LYS 79 2HD LYS 79 0.881 2.132 -12.481 652 HD3 LYS 79 1HD LYS 79 -0.780 1.541 -12.551 653 HE2 LYS 79 2HE LYS 79 0.579 2.274 -9.939 654 HE3 LYS 79 1HE LYS 79 -0.325 3.437 -10.913 655 HZ1 LYS 79 1HZ LYS 79 -2.302 2.168 -10.652 656 HZ2 LYS 79 2HZ LYS 79 -1.628 2.368 -9.109 657 HZ3 LYS 79 3HZ LYS 79 -1.473 0.891 -9.919 658 H GLY 80 H GLY 80 -0.092 -3.293 -14.338 659 HA2 GLY 80 2HA GLY 80 0.960 -3.026 -16.946 660 HA3 GLY 80 1HA GLY 80 0.461 -4.509 -16.169 661 H LEU 81 H LEU 81 -2.236 -3.929 -15.725 662 HA LEU 81 HA LEU 81 -3.452 -4.614 -18.183 663 HB2 LEU 81 2HB LEU 81 -4.195 -4.991 -15.676 664 HB3 LEU 81 1HB LEU 81 -4.972 -3.431 -15.829 665 HG LEU 81 HG LEU 81 -5.625 -5.919 -17.473 666 HD11 LEU 81 1HD1 LEU 81 -7.733 -5.973 -16.202 667 HD12 LEU 81 2HD1 LEU 81 -7.171 -4.623 -15.209 668 HD13 LEU 81 3HD1 LEU 81 -6.322 -6.171 -15.164 669 HD21 LEU 81 1HD2 LEU 81 -7.602 -4.686 -18.302 670 HD22 LEU 81 2HD2 LEU 81 -6.094 -3.931 -18.810 671 HD23 LEU 81 3HD2 LEU 81 -7.027 -3.224 -17.490 672 H LEU 82 H LEU 82 -3.302 -1.592 -16.351 673 HA LEU 82 HA LEU 82 -5.178 -0.105 -17.834 674 HB2 LEU 82 2HB LEU 82 -2.988 0.726 -15.901 675 HB3 LEU 82 1HB LEU 82 -4.129 1.875 -16.586 676 HG LEU 82 HG LEU 82 -4.967 -0.523 -14.896 677 HD11 LEU 82 1HD1 LEU 82 -4.612 2.348 -14.000 678 HD12 LEU 82 2HD1 LEU 82 -3.616 0.970 -13.525 679 HD13 LEU 82 3HD1 LEU 82 -5.308 1.038 -13.038 680 HD21 LEU 82 1HD2 LEU 82 -6.741 0.260 -16.376 681 HD22 LEU 82 2HD2 LEU 82 -6.535 1.916 -15.795 682 HD23 LEU 82 3HD2 LEU 82 -7.120 0.658 -14.702 683 H GLN 83 H GLN 83 -1.586 0.344 -17.740 684 HA GLN 83 HA GLN 83 -1.515 0.899 -20.609 685 HB2 GLN 83 2HB GLN 83 -2.287 3.055 -19.434 686 HB3 GLN 83 1HB GLN 83 -0.699 3.131 -18.686 687 HG2 GLN 83 2HG GLN 83 0.327 3.306 -20.945 688 HG3 GLN 83 1HG GLN 83 -1.281 3.263 -21.666 689 HE21 GLN 83 1HE2 GLN 83 -0.412 5.038 -18.710 690 HE22 GLN 83 2HE2 GLN 83 -0.668 6.603 -19.383 691 H GLN 84 H GLN 84 -0.212 -0.649 -18.182 692 HA GLN 84 HA GLN 84 1.697 -1.739 -17.743 693 HB2 GLN 84 2HB GLN 84 1.873 -2.020 -20.195 694 HB3 GLN 84 1HB GLN 84 2.759 -0.508 -20.311 695 HG2 GLN 84 2HG GLN 84 4.642 -1.488 -19.085 696 HG3 GLN 84 1HG GLN 84 3.739 -2.989 -18.865 697 HE21 GLN 84 1HE2 GLN 84 5.385 -0.954 -21.186 698 HE22 GLN 84 2HE2 GLN 84 5.555 -2.154 -22.417 699 H ARG 85 H ARG 85 1.484 1.568 -17.590 700 HA ARG 85 HA ARG 85 4.210 2.213 -16.844 701 HB2 ARG 85 2HB ARG 85 2.745 3.804 -18.091 702 HB3 ARG 85 1HB ARG 85 1.686 3.908 -16.689 703 HG2 ARG 85 2HG ARG 85 3.510 4.912 -15.371 704 HG3 ARG 85 1HG ARG 85 4.601 4.768 -16.752 705 HD2 ARG 85 2HD ARG 85 3.741 7.065 -16.522 706 HD3 ARG 85 1HD ARG 85 3.202 6.336 -18.039 707 HE ARG 85 HE ARG 85 1.160 5.791 -16.348 708 HH11 ARG 85 1HH1 ARG 85 2.779 8.820 -17.092 709 HH12 ARG 85 2HH1 ARG 85 1.370 9.775 -16.777 710 HH21 ARG 85 1HH2 ARG 85 -0.649 7.033 -15.933 711 HH22 ARG 85 2HH2 ARG 85 -0.588 8.761 -16.115 712 H LEU 86 H LEU 86 4.961 2.669 -14.788 713 HA LEU 86 HA LEU 86 3.935 1.103 -12.653 714 HB2 LEU 86 2HB LEU 86 6.084 3.245 -12.649 715 HB3 LEU 86 1HB LEU 86 5.805 2.117 -11.330 716 HG LEU 86 HG LEU 86 6.620 1.268 -14.137 717 HD11 LEU 86 1HD1 LEU 86 8.874 0.937 -13.271 718 HD12 LEU 86 2HD1 LEU 86 8.394 1.603 -11.709 719 HD13 LEU 86 3HD1 LEU 86 8.390 2.627 -13.146 720 HD21 LEU 86 1HD2 LEU 86 6.574 -0.303 -11.536 721 HD22 LEU 86 2HD2 LEU 86 7.147 -0.892 -13.100 722 HD23 LEU 86 3HD2 LEU 86 5.447 -0.489 -12.884 723 H ASP 87 H ASP 87 3.415 4.431 -13.507 724 HA ASP 87 HA ASP 87 1.700 4.787 -11.111 725 HB2 ASP 87 2HB ASP 87 2.050 7.224 -11.285 726 HB3 ASP 87 1HB ASP 87 3.591 6.403 -11.081 727 H GLU 88 H GLU 88 -0.396 5.497 -11.515 728 HA GLU 88 HA GLU 88 -1.387 6.015 -14.201 729 HB2 GLU 88 2HB GLU 88 -1.904 3.381 -12.766 730 HB3 GLU 88 1HB GLU 88 -3.135 4.033 -13.835 731 HG2 GLU 88 2HG GLU 88 -0.298 3.313 -14.646 732 HG3 GLU 88 1HG GLU 88 -1.735 2.333 -14.945 733 H LEU 89 H LEU 89 -4.100 5.418 -13.655 734 HA LEU 89 HA LEU 89 -5.991 6.281 -12.888 735 HB2 LEU 89 2HB LEU 89 -4.417 6.847 -10.350 736 HB3 LEU 89 1HB LEU 89 -6.156 7.036 -10.492 737 HG LEU 89 HG LEU 89 -4.637 4.397 -10.733 738 HD11 LEU 89 1HD1 LEU 89 -5.690 3.803 -8.588 739 HD12 LEU 89 2HD1 LEU 89 -6.414 5.411 -8.491 740 HD13 LEU 89 3HD1 LEU 89 -4.660 5.227 -8.431 741 HD21 LEU 89 1HD2 LEU 89 -7.634 4.916 -10.808 742 HD22 LEU 89 2HD2 LEU 89 -6.862 3.328 -10.764 743 HD23 LEU 89 3HD2 LEU 89 -6.628 4.377 -12.158 744 H SER 90 H SER 90 -4.312 8.752 -11.005 745 HA SER 90 HA SER 90 -4.763 10.705 -13.195 746 HB2 SER 90 2HB SER 90 -6.278 11.087 -11.233 747 HB3 SER 90 1HB SER 90 -4.863 11.285 -10.202 748 HG SER 90 HG SER 90 -6.023 13.037 -11.936 749 H SER 91 H SER 91 -2.928 10.882 -10.109 750 HA SER 91 HA SER 91 -0.349 10.497 -11.156 751 HB2 SER 91 2HB SER 91 -0.812 12.622 -12.390 752 HB3 SER 91 1HB SER 91 -1.130 13.443 -10.864 753 HG SER 91 HG SER 91 0.936 13.899 -11.251 754 H LEU 92 H LEU 92 1.317 10.955 -9.602 755 HA LEU 92 HA LEU 92 0.438 11.666 -6.862 756 HB2 LEU 92 2HB LEU 92 2.812 9.937 -7.686 757 HB3 LEU 92 1HB LEU 92 2.394 10.369 -6.033 758 HG LEU 92 HG LEU 92 0.755 8.588 -7.891 759 HD11 LEU 92 1HD1 LEU 92 2.296 7.864 -5.381 760 HD12 LEU 92 2HD1 LEU 92 2.769 7.477 -7.038 761 HD13 LEU 92 3HD1 LEU 92 1.306 6.770 -6.356 762 HD21 LEU 92 1HD2 LEU 92 -0.718 8.192 -5.961 763 HD22 LEU 92 2HD2 LEU 92 -0.740 9.879 -6.459 764 HD23 LEU 92 3HD2 LEU 92 0.171 9.397 -5.026 765 H ILE 93 H ILE 93 3.579 11.559 -8.589 766 HA ILE 93 HA ILE 93 3.984 14.467 -8.071 767 HB ILE 93 HB ILE 93 6.149 12.296 -8.127 768 HG12 ILE 93 2HG1 ILE 93 4.976 13.784 -5.730 769 HG13 ILE 93 1HG1 ILE 93 4.728 12.082 -6.109 770 HG21 ILE 93 1HG2 ILE 93 7.687 14.031 -7.256 771 HG22 ILE 93 2HG2 ILE 93 6.404 15.238 -7.377 772 HG23 ILE 93 3HG2 ILE 93 7.047 14.480 -8.835 773 HD11 ILE 93 1HD1 ILE 93 7.356 13.362 -5.335 774 HD12 ILE 93 2HD1 ILE 93 7.118 11.660 -5.746 775 HD13 ILE 93 3HD1 ILE 93 6.332 12.342 -4.325 776 H GLY 94 H GLY 94 2.950 12.664 -10.401 777 HA2 GLY 94 2HA GLY 94 2.807 13.101 -12.675 778 HA3 GLY 94 1HA GLY 94 4.210 14.149 -12.579 779 H GLN 95 H GLN 95 5.338 11.565 -11.080 780 HA GLN 95 HA GLN 95 6.095 10.002 -13.474 781 HB2 GLN 95 2HB GLN 95 7.843 11.778 -12.815 782 HB3 GLN 95 1HB GLN 95 8.057 10.908 -11.301 783 HG2 GLN 95 2HG GLN 95 8.813 8.916 -12.583 784 HG3 GLN 95 1HG GLN 95 8.634 9.825 -14.085 785 HE21 GLN 95 1HE2 GLN 95 10.131 11.508 -14.542 786 HE22 GLN 95 2HE2 GLN 95 11.635 11.643 -13.698 787 H SER 96 H SER 96 7.291 7.894 -12.630 788 HA SER 96 HA SER 96 5.597 6.412 -10.935 789 HB2 SER 96 2HB SER 96 8.451 5.786 -11.796 790 HB3 SER 96 1HB SER 96 7.307 4.627 -11.119 791 HG SER 96 HG SER 96 6.059 5.732 -13.119 792 H THR 97 H THR 97 5.477 7.791 -9.074 793 HA THR 97 HA THR 97 7.613 8.148 -7.226 794 HB THR 97 HB THR 97 4.600 8.178 -6.718 795 HG1 THR 97 HG1 THR 97 6.362 10.300 -7.425 796 HG21 THR 97 1HG2 THR 97 5.910 8.084 -4.611 797 HG22 THR 97 2HG2 THR 97 5.132 9.657 -4.808 798 HG23 THR 97 3HG2 THR 97 6.856 9.478 -5.137 799 H ARG 98 H ARG 98 5.031 5.772 -7.673 800 HA ARG 98 HA ARG 98 5.012 4.605 -5.144 801 HB2 ARG 98 2HB ARG 98 3.232 4.378 -6.917 802 HB3 ARG 98 1HB ARG 98 4.276 3.230 -7.753 803 HG2 ARG 98 2HG ARG 98 4.259 1.938 -5.470 804 HG3 ARG 98 1HG ARG 98 2.856 2.940 -5.108 805 HD2 ARG 98 2HD ARG 98 1.870 1.055 -5.976 806 HD3 ARG 98 1HD ARG 98 1.971 2.070 -7.410 807 HE ARG 98 HE ARG 98 4.161 0.723 -7.792 808 HH11 ARG 98 1HH1 ARG 98 1.195 -0.543 -6.394 809 HH12 ARG 98 2HH1 ARG 98 1.483 -2.165 -6.943 810 HH21 ARG 98 1HH2 ARG 98 4.552 -1.448 -8.466 811 HH22 ARG 98 2HH2 ARG 98 3.375 -2.675 -8.111 812 H GLN 99 H GLN 99 6.712 3.532 -8.108 813 HA GLN 99 HA GLN 99 7.624 1.064 -7.085 814 HB2 GLN 99 2HB GLN 99 7.468 1.655 -9.525 815 HB3 GLN 99 1HB GLN 99 8.869 2.696 -9.340 816 HG2 GLN 99 2HG GLN 99 9.205 -0.164 -8.506 817 HG3 GLN 99 1HG GLN 99 9.006 0.138 -10.225 818 HE21 GLN 99 1HE2 GLN 99 11.103 -0.633 -10.634 819 HE22 GLN 99 2HE2 GLN 99 12.509 0.298 -10.259 820 H LYS 100 H LYS 100 9.354 4.147 -7.576 821 HA LYS 100 HA LYS 100 11.797 3.490 -6.412 822 HB2 LYS 100 2HB LYS 100 11.503 5.491 -7.781 823 HB3 LYS 100 1HB LYS 100 10.379 6.180 -6.612 824 HG2 LYS 100 2HG LYS 100 12.203 6.378 -4.959 825 HG3 LYS 100 1HG LYS 100 13.334 5.657 -6.109 826 HD2 LYS 100 2HD LYS 100 13.081 7.568 -7.617 827 HD3 LYS 100 1HD LYS 100 11.831 8.266 -6.580 828 HE2 LYS 100 2HE LYS 100 14.013 9.387 -6.258 829 HE3 LYS 100 1HE LYS 100 13.476 8.583 -4.783 830 HZ1 LYS 100 1HZ LYS 100 14.968 6.744 -5.292 831 HZ2 LYS 100 2HZ LYS 100 15.819 8.196 -5.186 832 HZ3 LYS 100 3HZ LYS 100 15.485 7.522 -6.700 833 H SER 101 H SER 101 8.979 5.083 -4.910 834 HA SER 101 HA SER 101 10.199 5.566 -2.406 835 HB2 SER 101 2HB SER 101 8.353 6.960 -3.243 836 HB3 SER 101 1HB SER 101 7.258 5.578 -3.189 837 HG SER 101 HG SER 101 6.878 6.174 -1.231 838 H LEU 102 H LEU 102 7.674 3.164 -3.356 839 HA LEU 102 HA LEU 102 7.544 2.099 -0.683 840 HB2 LEU 102 2HB LEU 102 6.149 1.280 -3.248 841 HB3 LEU 102 1HB LEU 102 5.987 0.348 -1.770 842 HG LEU 102 HG LEU 102 5.057 2.456 -0.651 843 HD11 LEU 102 1HD1 LEU 102 4.861 3.473 -3.489 844 HD12 LEU 102 2HD1 LEU 102 5.882 4.135 -2.212 845 HD13 LEU 102 3HD1 LEU 102 4.127 4.218 -2.064 846 HD21 LEU 102 1HD2 LEU 102 3.604 0.614 -1.338 847 HD22 LEU 102 2HD2 LEU 102 3.466 1.299 -2.959 848 HD23 LEU 102 3HD2 LEU 102 2.796 2.165 -1.572 849 H ASN 103 H ASN 103 9.193 1.079 -3.682 850 HA ASN 103 HA ASN 103 9.868 -1.547 -2.670 851 HB2 ASN 103 2HB ASN 103 9.766 -1.174 -5.097 852 HB3 ASN 103 1HB ASN 103 11.048 0.022 -4.996 853 HD21 ASN 103 1HD2 ASN 103 13.191 -0.671 -4.757 854 HD22 ASN 103 2HD2 ASN 103 13.661 -2.320 -4.981 855 H ASN 104 H ASN 104 11.601 1.612 -2.909 856 HA ASN 104 HA ASN 104 13.990 0.770 -1.635 857 HB2 ASN 104 2HB ASN 104 13.828 2.950 -2.823 858 HB3 ASN 104 1HB ASN 104 12.720 3.543 -1.592 859 HD21 ASN 104 1HD2 ASN 104 16.039 2.665 -2.278 860 HD22 ASN 104 2HD2 ASN 104 16.744 3.461 -0.920 861 H ALA 105 H ALA 105 10.943 2.104 -0.369 862 HA ALA 105 HA ALA 105 11.563 2.241 2.356 863 HB1 ALA 105 1HB ALA 105 9.128 2.266 2.734 864 HB2 ALA 105 2HB ALA 105 8.859 1.731 1.072 865 HB3 ALA 105 3HB ALA 105 9.574 3.314 1.385 866 H TYR 106 H TYR 106 10.303 -0.446 0.398 867 HA TYR 106 HA TYR 106 9.884 -2.327 2.444 868 HB2 TYR 106 2HB TYR 106 9.205 -2.513 -0.046 869 HB3 TYR 106 1HB TYR 106 10.855 -3.018 -0.364 870 HD1 TYR 106 HD1 TYR 106 11.671 -5.088 1.272 871 HD2 TYR 106 HD2 TYR 106 7.624 -4.214 0.230 872 HE1 TYR 106 HE1 TYR 106 11.035 -7.391 1.800 873 HE2 TYR 106 HE2 TYR 106 6.997 -6.512 0.768 874 HH TYR 106 HH TYR 106 8.017 -8.723 0.983 875 H GLY 107 H GLY 107 12.733 -1.629 0.402 876 HA2 GLY 107 2HA GLY 107 14.523 -3.535 1.440 877 HA3 GLY 107 1HA GLY 107 14.965 -2.057 0.603 878 H ARG 108 H ARG 108 13.781 -0.228 2.505 879 HA ARG 108 HA ARG 108 15.940 0.006 4.364 880 HB2 ARG 108 2HB ARG 108 13.313 1.556 4.285 881 HB3 ARG 108 1HB ARG 108 14.730 1.992 5.239 882 HG2 ARG 108 2HG ARG 108 14.461 2.026 2.223 883 HG3 ARG 108 1HG ARG 108 14.619 3.413 3.295 884 HD2 ARG 108 2HD ARG 108 16.931 2.609 3.884 885 HD3 ARG 108 1HD ARG 108 16.743 1.321 2.686 886 HE ARG 108 HE ARG 108 16.215 3.809 1.463 887 HH11 ARG 108 1HH1 ARG 108 18.942 1.998 2.750 888 HH12 ARG 108 2HH1 ARG 108 20.094 2.766 1.708 889 HH21 ARG 108 1HH2 ARG 108 17.761 4.820 0.124 890 HH22 ARG 108 2HH2 ARG 108 19.429 4.356 0.227 891 H LEU 109 H LEU 109 12.529 -0.957 4.583 892 HA LEU 109 HA LEU 109 12.356 -1.265 7.408 893 HB2 LEU 109 2HB LEU 109 10.382 -1.009 5.934 894 HB3 LEU 109 1HB LEU 109 10.724 -2.564 5.196 895 HG LEU 109 HG LEU 109 10.294 -3.674 7.420 896 HD11 LEU 109 1HD1 LEU 109 10.798 -1.842 8.935 897 HD12 LEU 109 2HD1 LEU 109 9.155 -2.418 9.210 898 HD13 LEU 109 3HD1 LEU 109 9.424 -0.913 8.324 899 HD21 LEU 109 1HD2 LEU 109 7.861 -3.473 7.351 900 HD22 LEU 109 2HD2 LEU 109 8.536 -3.571 5.727 901 HD23 LEU 109 3HD2 LEU 109 7.994 -2.015 6.362 902 H SER 110 H SER 110 13.196 -3.406 4.758 903 HA SER 110 HA SER 110 13.412 -5.808 6.306 904 HB2 SER 110 2HB SER 110 12.842 -5.742 3.851 905 HB3 SER 110 1HB SER 110 14.481 -5.185 3.518 906 HG SER 110 HG SER 110 14.972 -7.215 3.461 907 H GLY 111 H GLY 111 15.575 -3.139 5.425 908 HA2 GLY 111 2HA GLY 111 17.997 -4.642 6.074 909 HA3 GLY 111 1HA GLY 111 17.902 -2.991 5.491 910 H MET 112 H MET 112 16.882 -1.376 7.177 911 HA MET 112 HA MET 112 18.232 -1.912 9.749 912 HB2 MET 112 2HB MET 112 18.454 0.301 8.223 913 HB3 MET 112 1HB MET 112 17.028 0.786 9.124 914 HG2 MET 112 2HG MET 112 19.719 0.047 10.296 915 HG3 MET 112 1HG MET 112 19.054 1.669 10.162 916 HE1 MET 112 1HE MET 112 16.089 1.421 11.112 917 HE2 MET 112 2HE MET 112 17.181 2.640 11.775 918 HE3 MET 112 3HE MET 112 16.222 1.629 12.857 919 H LEU 113 H LEU 113 15.261 -0.219 8.749 920 HA LEU 113 HA LEU 113 13.181 -1.511 9.795 921 HB2 LEU 113 2HB LEU 113 14.397 -1.452 12.065 922 HB3 LEU 113 1HB LEU 113 14.122 0.283 12.076 923 HG LEU 113 HG LEU 113 11.674 -0.090 12.066 924 HD11 LEU 113 1HD1 LEU 113 10.713 -2.305 12.288 925 HD12 LEU 113 2HD1 LEU 113 12.304 -3.055 12.172 926 HD13 LEU 113 3HD1 LEU 113 11.625 -2.186 10.791 927 HD21 LEU 113 1HD2 LEU 113 11.415 -0.997 14.331 928 HD22 LEU 113 2HD2 LEU 113 12.777 0.115 14.241 929 HD23 LEU 113 3HD2 LEU 113 13.064 -1.628 14.286 930 H LEU 114 H LEU 114 13.485 0.035 7.794 931 HA LEU 114 HA LEU 114 12.600 1.582 6.481 932 HB2 LEU 114 2HB LEU 114 10.509 0.709 7.507 933 HB3 LEU 114 1HB LEU 114 10.581 1.987 8.706 934 HG LEU 114 HG LEU 114 10.223 3.696 6.977 935 HD11 LEU 114 1HD1 LEU 114 11.404 2.672 5.112 936 HD12 LEU 114 2HD1 LEU 114 9.768 3.125 4.645 937 HD13 LEU 114 3HD1 LEU 114 10.154 1.432 4.970 938 HD21 LEU 114 1HD2 LEU 114 8.227 2.716 7.984 939 HD22 LEU 114 2HD2 LEU 114 8.192 1.454 6.749 940 HD23 LEU 114 3HD2 LEU 114 7.928 3.142 6.300 941 H VAL 115 H VAL 115 14.791 2.479 7.385 942 HA VAL 115 HA VAL 115 14.294 5.386 7.588 943 HB VAL 115 HB VAL 115 16.324 5.746 8.906 944 HG11 VAL 115 1HG1 VAL 115 14.559 3.666 10.254 945 HG12 VAL 115 2HG1 VAL 115 14.272 5.408 10.199 946 HG13 VAL 115 3HG1 VAL 115 15.660 4.773 11.084 947 HG21 VAL 115 1HG2 VAL 115 16.681 2.728 8.966 948 HG22 VAL 115 2HG2 VAL 115 17.651 3.895 9.870 949 HG23 VAL 115 3HG2 VAL 115 17.707 3.883 8.107 950 HA PRO 116 HA PRO 116 16.614 5.278 3.748 951 HB2 PRO 116 2HB PRO 116 17.243 8.163 4.064 952 HB3 PRO 116 1HB PRO 116 16.177 7.375 2.885 953 HG2 PRO 116 2HG PRO 116 15.189 8.924 4.870 954 HG3 PRO 116 1HG PRO 116 14.314 7.502 4.254 955 HD2 PRO 116 2HD PRO 116 16.001 7.731 6.752 956 HD3 PRO 116 1HD PRO 116 14.405 6.972 6.538 957 H ASP 117 H ASP 117 18.243 3.940 4.809 958 HA ASP 117 HA ASP 117 20.890 5.078 4.717 959 HB2 ASP 117 2HB ASP 117 20.311 5.627 7.052 960 HB3 ASP 117 1HB ASP 117 19.835 3.956 7.356 961 H ALA 118 H ALA 118 19.427 2.189 6.267 962 HA ALA 118 HA ALA 118 21.363 0.480 4.825 963 HB1 ALA 118 1HB ALA 118 21.037 -1.149 6.615 964 HB2 ALA 118 2HB ALA 118 19.794 -0.130 7.344 965 HB3 ALA 118 3HB ALA 118 21.467 0.424 7.288 966 HA PRO 119 HA PRO 119 17.695 -1.475 2.931 967 HB2 PRO 119 2HB PRO 119 18.711 -1.854 0.451 968 HB3 PRO 119 1HB PRO 119 18.120 -0.260 0.966 969 HG2 PRO 119 2HG PRO 119 20.926 -1.179 0.599 970 HG3 PRO 119 1HG PRO 119 20.240 0.451 0.455 971 HD2 PRO 119 2HD PRO 119 21.623 -0.659 2.728 972 HD3 PRO 119 1HD PRO 119 20.863 0.943 2.601 973 H GLY 120 H GLY 120 17.360 -3.687 2.784 974 HA2 GLY 120 2HA GLY 120 19.578 -5.584 2.645 975 HA3 GLY 120 1HA GLY 120 18.748 -5.498 4.196 976 H ALA 121 H ALA 121 18.851 -7.829 2.770 977 HA ALA 121 HA ALA 121 16.048 -8.455 2.460 978 HB1 ALA 121 1HB ALA 121 17.876 -8.739 0.041 979 HB2 ALA 121 2HB ALA 121 16.538 -7.599 0.202 980 HB3 ALA 121 3HB ALA 121 16.217 -9.334 0.155 981 H SER 122 H SER 122 15.692 -10.777 2.287 982 HA SER 122 HA SER 122 17.892 -12.360 3.474 983 HB2 SER 122 2HB SER 122 14.872 -12.823 3.619 984 HB3 SER 122 1HB SER 122 16.114 -13.762 4.452 985 HG SER 122 HG SER 122 15.475 -12.314 5.930 Start of MODEL 2 1 H1 MET 1 1H MET 1 1.978 2.901 21.352 2 H2 MET 1 2H MET 1 2.131 1.364 22.034 3 H3 MET 1 3H MET 1 0.600 1.987 21.699 4 HA MET 1 HA MET 1 2.669 1.358 19.701 5 HB2 MET 1 2HB MET 1 1.638 -0.640 20.904 6 HB3 MET 1 1HB MET 1 0.076 -0.143 20.286 7 HG2 MET 1 2HG MET 1 0.887 -0.507 17.973 8 HG3 MET 1 1HG MET 1 2.438 -1.049 18.615 9 HE1 MET 1 1HE MET 1 0.597 -4.314 17.222 10 HE2 MET 1 2HE MET 1 1.972 -3.231 16.990 11 HE3 MET 1 3HE MET 1 0.341 -2.690 16.588 12 H THR 2 H THR 2 0.612 3.754 20.290 13 HA THR 2 HA THR 2 -1.523 3.607 18.495 14 HB THR 2 HB THR 2 -1.587 6.160 18.620 15 HG1 THR 2 HG1 THR 2 -0.131 7.121 20.089 16 HG21 THR 2 1HG2 THR 2 -2.802 4.751 20.266 17 HG22 THR 2 2HG2 THR 2 -2.204 6.242 20.997 18 HG23 THR 2 3HG2 THR 2 -1.362 4.719 21.287 19 H SER 3 H SER 3 1.711 5.108 17.912 20 HA SER 3 HA SER 3 1.087 5.987 15.267 21 HB2 SER 3 2HB SER 3 3.805 5.577 16.580 22 HB3 SER 3 1HB SER 3 3.534 6.414 15.048 23 HG SER 3 HG SER 3 2.122 7.839 16.261 24 H THR 4 H THR 4 2.253 2.956 16.563 25 HA THR 4 HA THR 4 3.148 1.828 14.082 26 HB THR 4 HB THR 4 2.400 0.371 16.660 27 HG1 THR 4 HG1 THR 4 5.011 0.536 16.393 28 HG21 THR 4 1HG2 THR 4 4.180 -0.476 14.334 29 HG22 THR 4 2HG2 THR 4 2.586 -1.144 14.697 30 HG23 THR 4 3HG2 THR 4 3.926 -1.393 15.818 31 H VAL 5 H VAL 5 0.149 1.674 15.977 32 HA VAL 5 HA VAL 5 -1.247 -0.149 14.290 33 HB VAL 5 HB VAL 5 -2.337 1.889 16.296 34 HG11 VAL 5 1HG1 VAL 5 -4.432 0.571 16.302 35 HG12 VAL 5 2HG1 VAL 5 -3.791 -0.467 15.027 36 HG13 VAL 5 3HG1 VAL 5 -4.108 1.239 14.698 37 HG21 VAL 5 1HG2 VAL 5 -1.817 -1.089 16.636 38 HG22 VAL 5 2HG2 VAL 5 -2.534 -0.026 17.850 39 HG23 VAL 5 3HG2 VAL 5 -0.861 0.214 17.343 40 H GLU 6 H GLU 6 -0.960 3.391 14.449 41 HA GLU 6 HA GLU 6 -2.725 4.128 12.384 42 HB2 GLU 6 2HB GLU 6 -0.203 5.421 13.498 43 HB3 GLU 6 1HB GLU 6 -1.098 6.164 12.178 44 HG2 GLU 6 2HG GLU 6 -2.276 5.533 14.897 45 HG3 GLU 6 1HG GLU 6 -1.629 7.104 14.421 46 H PHE 7 H PHE 7 0.730 3.285 12.357 47 HA PHE 7 HA PHE 7 1.255 3.869 9.641 48 HB2 PHE 7 2HB PHE 7 2.944 3.620 11.552 49 HB3 PHE 7 1HB PHE 7 2.778 1.880 11.385 50 HD1 PHE 7 HD1 PHE 7 3.533 4.923 9.308 51 HD2 PHE 7 HD2 PHE 7 4.349 0.768 9.990 52 HE1 PHE 7 HE1 PHE 7 5.318 4.992 7.618 53 HE2 PHE 7 HE2 PHE 7 6.128 0.854 8.293 54 HZ PHE 7 HZ PHE 7 6.613 2.961 7.112 55 H ILE 8 H ILE 8 0.556 0.782 11.304 56 HA ILE 8 HA ILE 8 0.619 -0.901 9.029 57 HB ILE 8 HB ILE 8 -0.830 -1.360 11.687 58 HG12 ILE 8 2HG1 ILE 8 1.907 -2.382 10.785 59 HG13 ILE 8 1HG1 ILE 8 1.659 -1.050 11.905 60 HG21 ILE 8 1HG2 ILE 8 -0.819 -3.777 11.097 61 HG22 ILE 8 2HG2 ILE 8 -0.126 -3.387 9.523 62 HG23 ILE 8 3HG2 ILE 8 -1.750 -2.832 9.928 63 HD11 ILE 8 1HD1 ILE 8 0.862 -3.922 12.373 64 HD12 ILE 8 2HD1 ILE 8 0.603 -2.581 13.492 65 HD13 ILE 8 3HD1 ILE 8 2.241 -3.081 13.079 66 H ASN 9 H ASN 9 -1.984 0.988 10.581 67 HA ASN 9 HA ASN 9 -4.130 -0.134 9.024 68 HB2 ASN 9 2HB ASN 9 -4.528 0.889 11.260 69 HB3 ASN 9 1HB ASN 9 -4.090 2.466 10.615 70 HD21 ASN 9 1HD2 ASN 9 -6.472 -0.136 10.405 71 HD22 ASN 9 2HD2 ASN 9 -7.753 0.850 9.786 72 H ARG 10 H ARG 10 -1.925 2.540 8.610 73 HA ARG 10 HA ARG 10 -3.217 3.723 6.342 74 HB2 ARG 10 2HB ARG 10 -0.465 3.970 7.588 75 HB3 ARG 10 1HB ARG 10 -0.776 4.675 6.007 76 HG2 ARG 10 2HG ARG 10 -2.628 6.018 6.983 77 HG3 ARG 10 1HG ARG 10 -2.249 5.353 8.574 78 HD2 ARG 10 2HD ARG 10 -0.048 6.412 8.538 79 HD3 ARG 10 1HD ARG 10 -0.309 6.961 6.879 80 HE ARG 10 HE ARG 10 -1.976 8.494 7.676 81 HH11 ARG 10 1HH1 ARG 10 -0.138 6.998 10.275 82 HH12 ARG 10 2HH1 ARG 10 -0.535 8.232 11.422 83 HH21 ARG 10 1HH2 ARG 10 -2.456 10.119 9.194 84 HH22 ARG 10 2HH2 ARG 10 -1.843 9.995 10.816 85 H TRP 11 H TRP 11 -0.704 1.252 6.812 86 HA TRP 11 HA TRP 11 -0.451 0.649 4.012 87 HB2 TRP 11 2HB TRP 11 0.524 -0.785 6.506 88 HB3 TRP 11 1HB TRP 11 0.728 -1.479 4.897 89 HD1 TRP 11 HD1 TRP 11 2.485 0.751 7.265 90 HE1 TRP 11 HE1 TRP 11 4.410 1.975 6.093 91 HE3 TRP 11 HE3 TRP 11 1.272 -0.223 2.377 92 HZ2 TRP 11 HZ2 TRP 11 5.318 2.479 3.490 93 HZ3 TRP 11 HZ3 TRP 11 2.727 0.681 0.601 94 HH2 TRP 11 HH2 TRP 11 4.710 2.008 1.151 95 H GLN 12 H GLN 12 -2.684 -0.358 6.532 96 HA GLN 12 HA GLN 12 -3.840 -2.564 5.123 97 HB2 GLN 12 2HB GLN 12 -5.090 -0.671 7.184 98 HB3 GLN 12 1HB GLN 12 -5.971 -2.007 6.455 99 HG2 GLN 12 2HG GLN 12 -4.305 -3.585 7.421 100 HG3 GLN 12 1HG GLN 12 -3.528 -2.225 8.228 101 HE21 GLN 12 1HE2 GLN 12 -6.344 -4.292 8.172 102 HE22 GLN 12 2HE2 GLN 12 -6.972 -3.814 9.707 103 H ARG 13 H ARG 13 -4.439 0.935 5.262 104 HA ARG 13 HA ARG 13 -6.692 1.057 3.611 105 HB2 ARG 13 2HB ARG 13 -5.878 2.905 5.094 106 HB3 ARG 13 1HB ARG 13 -4.547 3.186 3.976 107 HG2 ARG 13 2HG ARG 13 -6.307 4.830 3.595 108 HG3 ARG 13 1HG ARG 13 -6.179 3.767 2.191 109 HD2 ARG 13 2HD ARG 13 -8.136 2.473 3.014 110 HD3 ARG 13 1HD ARG 13 -8.271 3.559 4.400 111 HE ARG 13 HE ARG 13 -9.093 4.049 1.679 112 HH11 ARG 13 1HH1 ARG 13 -8.393 5.560 4.771 113 HH12 ARG 13 2HH1 ARG 13 -9.276 7.002 4.378 114 HH21 ARG 13 1HH2 ARG 13 -10.133 5.958 1.168 115 HH22 ARG 13 2HH2 ARG 13 -10.257 7.226 2.345 116 H ILE 14 H ILE 14 -3.207 1.411 2.765 117 HA ILE 14 HA ILE 14 -3.603 1.765 -0.034 118 HB ILE 14 HB ILE 14 -1.119 0.660 1.366 119 HG12 ILE 14 2HG1 ILE 14 -1.795 3.537 0.578 120 HG13 ILE 14 1HG1 ILE 14 -1.730 2.910 2.222 121 HG21 ILE 14 1HG2 ILE 14 -1.392 1.893 -1.407 122 HG22 ILE 14 2HG2 ILE 14 -1.121 0.185 -1.064 123 HG23 ILE 14 3HG2 ILE 14 0.117 1.368 -0.656 124 HD11 ILE 14 1HD1 ILE 14 0.628 3.052 0.343 125 HD12 ILE 14 2HD1 ILE 14 0.646 2.549 2.037 126 HD13 ILE 14 3HD1 ILE 14 0.245 4.210 1.613 127 H ALA 15 H ALA 15 -2.700 -1.160 1.876 128 HA ALA 15 HA ALA 15 -2.435 -3.014 -0.200 129 HB1 ALA 15 1HB ALA 15 -1.655 -3.458 2.102 130 HB2 ALA 15 2HB ALA 15 -2.700 -4.763 1.538 131 HB3 ALA 15 3HB ALA 15 -3.320 -3.552 2.669 132 H LEU 16 H LEU 16 -5.271 -2.090 1.641 133 HA LEU 16 HA LEU 16 -6.971 -4.209 0.643 134 HB2 LEU 16 2HB LEU 16 -7.605 -1.829 2.426 135 HB3 LEU 16 1HB LEU 16 -8.785 -3.053 1.986 136 HG LEU 16 HG LEU 16 -6.245 -3.589 3.579 137 HD11 LEU 16 1HD1 LEU 16 -7.807 -2.224 4.869 138 HD12 LEU 16 2HD1 LEU 16 -7.698 -3.850 5.535 139 HD13 LEU 16 3HD1 LEU 16 -9.105 -3.386 4.573 140 HD21 LEU 16 1HD2 LEU 16 -8.569 -5.438 2.946 141 HD22 LEU 16 2HD2 LEU 16 -7.212 -5.808 4.013 142 HD23 LEU 16 3HD2 LEU 16 -6.931 -5.550 2.294 143 H LEU 17 H LEU 17 -6.709 -0.650 0.142 144 HA LEU 17 HA LEU 17 -8.962 -0.445 -1.575 145 HB2 LEU 17 2HB LEU 17 -6.520 1.318 -1.259 146 HB3 LEU 17 1HB LEU 17 -7.714 1.655 -2.500 147 HG LEU 17 HG LEU 17 -8.211 1.649 0.505 148 HD11 LEU 17 1HD1 LEU 17 -8.218 3.932 -1.496 149 HD12 LEU 17 2HD1 LEU 17 -6.963 3.605 -0.298 150 HD13 LEU 17 3HD1 LEU 17 -8.583 4.047 0.228 151 HD21 LEU 17 1HD2 LEU 17 -10.496 2.402 -0.029 152 HD22 LEU 17 2HD2 LEU 17 -10.191 0.789 -0.666 153 HD23 LEU 17 3HD2 LEU 17 -10.182 2.182 -1.753 154 H SER 18 H SER 18 -5.473 -0.827 -2.342 155 HA SER 18 HA SER 18 -5.750 -0.938 -5.151 156 HB2 SER 18 2HB SER 18 -3.466 -1.928 -5.120 157 HB3 SER 18 1HB SER 18 -3.588 -0.526 -4.053 158 HG SER 18 HG SER 18 -2.977 -1.779 -2.512 159 H GLN 19 H GLN 19 -5.856 -3.477 -2.650 160 HA GLN 19 HA GLN 19 -6.043 -5.748 -4.296 161 HB2 GLN 19 2HB GLN 19 -5.676 -5.768 -1.794 162 HB3 GLN 19 1HB GLN 19 -7.374 -5.368 -1.576 163 HG2 GLN 19 2HG GLN 19 -7.013 -7.760 -1.236 164 HG3 GLN 19 1HG GLN 19 -8.006 -7.496 -2.671 165 HE21 GLN 19 1HE2 GLN 19 -4.805 -8.348 -1.545 166 HE22 GLN 19 2HE2 GLN 19 -4.286 -9.124 -2.998 167 H SER 20 H SER 20 -8.547 -3.600 -2.961 168 HA SER 20 HA SER 20 -10.819 -4.900 -4.013 169 HB2 SER 20 2HB SER 20 -10.446 -1.944 -3.341 170 HB3 SER 20 1HB SER 20 -11.996 -2.722 -3.669 171 HG SER 20 HG SER 20 -10.262 -3.675 -1.660 172 H LEU 21 H LEU 21 -8.695 -2.349 -5.311 173 HA LEU 21 HA LEU 21 -10.198 -1.753 -7.627 174 HB2 LEU 21 2HB LEU 21 -7.200 -1.395 -7.197 175 HB3 LEU 21 1HB LEU 21 -8.141 -0.656 -8.479 176 HG LEU 21 HG LEU 21 -8.238 -0.015 -5.520 177 HD11 LEU 21 1HD1 LEU 21 -7.562 2.237 -6.207 178 HD12 LEU 21 2HD1 LEU 21 -7.502 1.712 -7.894 179 HD13 LEU 21 3HD1 LEU 21 -6.389 1.020 -6.712 180 HD21 LEU 21 1HD2 LEU 21 -10.111 1.019 -7.661 181 HD22 LEU 21 2HD2 LEU 21 -9.982 1.653 -6.020 182 HD23 LEU 21 3HD2 LEU 21 -10.536 0.003 -6.281 183 H LEU 22 H LEU 22 -7.737 -4.192 -6.908 184 HA LEU 22 HA LEU 22 -7.296 -5.121 -9.556 185 HB2 LEU 22 2HB LEU 22 -5.763 -5.624 -7.680 186 HB3 LEU 22 1HB LEU 22 -7.005 -6.593 -6.908 187 HG LEU 22 HG LEU 22 -6.898 -8.239 -8.783 188 HD11 LEU 22 1HD1 LEU 22 -6.238 -6.767 -10.618 189 HD12 LEU 22 2HD1 LEU 22 -5.125 -8.126 -10.481 190 HD13 LEU 22 3HD1 LEU 22 -4.647 -6.532 -9.890 191 HD21 LEU 22 1HD2 LEU 22 -4.720 -9.218 -8.245 192 HD22 LEU 22 2HD2 LEU 22 -5.495 -8.587 -6.793 193 HD23 LEU 22 3HD2 LEU 22 -4.179 -7.684 -7.553 194 H GLU 23 H GLU 23 -9.318 -6.409 -6.928 195 HA GLU 23 HA GLU 23 -10.662 -8.471 -8.177 196 HB2 GLU 23 2HB GLU 23 -11.627 -6.509 -6.052 197 HB3 GLU 23 1HB GLU 23 -12.448 -8.018 -6.431 198 HG2 GLU 23 2HG GLU 23 -9.582 -7.883 -5.452 199 HG3 GLU 23 1HG GLU 23 -10.968 -8.038 -4.377 200 H LEU 24 H LEU 24 -11.655 -5.091 -7.895 201 HA LEU 24 HA LEU 24 -14.132 -5.221 -9.211 202 HB2 LEU 24 2HB LEU 24 -12.274 -2.872 -8.676 203 HB3 LEU 24 1HB LEU 24 -13.910 -2.694 -9.289 204 HG LEU 24 HG LEU 24 -13.250 -3.957 -6.600 205 HD11 LEU 24 1HD1 LEU 24 -13.968 -1.850 -5.559 206 HD12 LEU 24 2HD1 LEU 24 -14.100 -1.104 -7.153 207 HD13 LEU 24 3HD1 LEU 24 -12.530 -1.640 -6.556 208 HD21 LEU 24 1HD2 LEU 24 -15.629 -3.649 -6.103 209 HD22 LEU 24 2HD2 LEU 24 -15.399 -4.687 -7.507 210 HD23 LEU 24 3HD2 LEU 24 -15.903 -3.008 -7.724 211 H ALA 25 H ALA 25 -10.863 -4.302 -10.343 212 HA ALA 25 HA ALA 25 -11.484 -3.396 -12.933 213 HB1 ALA 25 1HB ALA 25 -9.274 -3.081 -11.866 214 HB2 ALA 25 2HB ALA 25 -9.118 -3.817 -13.465 215 HB3 ALA 25 3HB ALA 25 -8.955 -4.809 -12.012 216 H GLN 26 H GLN 26 -10.553 -6.615 -11.774 217 HA GLN 26 HA GLN 26 -10.640 -7.997 -14.243 218 HB2 GLN 26 2HB GLN 26 -11.009 -9.050 -11.401 219 HB3 GLN 26 1HB GLN 26 -10.700 -10.055 -12.816 220 HG2 GLN 26 2HG GLN 26 -8.493 -9.038 -13.111 221 HG3 GLN 26 1HG GLN 26 -8.792 -7.929 -11.774 222 HE21 GLN 26 1HE2 GLN 26 -6.629 -9.860 -12.071 223 HE22 GLN 26 2HE2 GLN 26 -6.746 -10.917 -10.708 224 H ARG 27 H ARG 27 -13.090 -7.339 -11.781 225 HA ARG 27 HA ARG 27 -15.140 -8.975 -13.070 226 HB2 ARG 27 2HB ARG 27 -15.173 -7.268 -10.542 227 HB3 ARG 27 1HB ARG 27 -16.542 -8.229 -11.103 228 HG2 ARG 27 2HG ARG 27 -15.306 -10.295 -10.814 229 HG3 ARG 27 1HG ARG 27 -13.824 -9.411 -10.449 230 HD2 ARG 27 2HD ARG 27 -14.856 -8.536 -8.380 231 HD3 ARG 27 1HD ARG 27 -16.338 -9.435 -8.735 232 HE ARG 27 HE ARG 27 -14.721 -11.454 -8.719 233 HH11 ARG 27 1HH1 ARG 27 -14.449 -8.715 -6.541 234 HH12 ARG 27 2HH1 ARG 27 -13.694 -9.641 -5.283 235 HH21 ARG 27 1HH2 ARG 27 -13.729 -12.645 -7.069 236 HH22 ARG 27 2HH2 ARG 27 -13.292 -11.853 -5.590 237 H GLY 28 H GLY 28 -13.993 -5.956 -13.770 238 HA2 GLY 28 2HA GLY 28 -14.763 -4.633 -15.506 239 HA3 GLY 28 1HA GLY 28 -16.321 -5.429 -15.445 240 H GLU 29 H GLU 29 -15.341 -4.311 -12.434 241 HA GLU 29 HA GLU 29 -17.155 -2.027 -12.433 242 HB2 GLU 29 2HB GLU 29 -15.516 -3.248 -10.174 243 HB3 GLU 29 1HB GLU 29 -16.821 -2.088 -9.995 244 HG2 GLU 29 2HG GLU 29 -17.145 -4.911 -11.050 245 HG3 GLU 29 1HG GLU 29 -17.443 -4.418 -9.382 246 H TRP 30 H TRP 30 -15.114 -1.378 -14.087 247 HA TRP 30 HA TRP 30 -12.762 -0.285 -12.934 248 HB2 TRP 30 2HB TRP 30 -14.061 0.491 -15.579 249 HB3 TRP 30 1HB TRP 30 -12.405 0.847 -15.100 250 HD1 TRP 30 HD1 TRP 30 -14.606 -2.023 -16.384 251 HE1 TRP 30 HE1 TRP 30 -13.088 -3.929 -17.202 252 HE3 TRP 30 HE3 TRP 30 -10.084 -0.264 -14.713 253 HZ2 TRP 30 HZ2 TRP 30 -10.361 -4.601 -17.168 254 HZ3 TRP 30 HZ3 TRP 30 -8.069 -1.612 -15.157 255 HH2 TRP 30 HH2 TRP 30 -8.205 -3.736 -16.358 256 H ASP 31 H ASP 31 -15.989 1.004 -13.421 257 HA ASP 31 HA ASP 31 -15.616 3.731 -12.962 258 HB2 ASP 31 2HB ASP 31 -17.933 1.922 -12.139 259 HB3 ASP 31 1HB ASP 31 -17.974 3.675 -11.966 260 H LEU 32 H LEU 32 -15.895 1.042 -10.663 261 HA LEU 32 HA LEU 32 -15.834 2.690 -8.321 262 HB2 LEU 32 2HB LEU 32 -15.345 -0.299 -8.585 263 HB3 LEU 32 1HB LEU 32 -15.641 0.564 -7.080 264 HG LEU 32 HG LEU 32 -17.620 0.199 -9.365 265 HD11 LEU 32 1HD1 LEU 32 -17.304 -1.815 -8.024 266 HD12 LEU 32 2HD1 LEU 32 -18.914 -1.140 -7.797 267 HD13 LEU 32 3HD1 LEU 32 -17.681 -0.915 -6.551 268 HD21 LEU 32 1HD2 LEU 32 -19.281 1.336 -7.953 269 HD22 LEU 32 2HD2 LEU 32 -17.950 2.410 -8.374 270 HD23 LEU 32 3HD2 LEU 32 -18.032 1.702 -6.758 271 H LEU 33 H LEU 33 -13.334 1.356 -10.392 272 HA LEU 33 HA LEU 33 -11.134 1.868 -8.630 273 HB2 LEU 33 2HB LEU 33 -11.291 1.638 -11.652 274 HB3 LEU 33 1HB LEU 33 -9.814 2.180 -10.878 275 HG LEU 33 HG LEU 33 -9.797 0.005 -9.565 276 HD11 LEU 33 1HD1 LEU 33 -12.142 -0.610 -9.789 277 HD12 LEU 33 2HD1 LEU 33 -11.082 -1.891 -10.373 278 HD13 LEU 33 3HD1 LEU 33 -11.927 -0.853 -11.525 279 HD21 LEU 33 1HD2 LEU 33 -8.325 0.365 -11.490 280 HD22 LEU 33 2HD2 LEU 33 -9.575 -0.249 -12.577 281 HD23 LEU 33 3HD2 LEU 33 -8.837 -1.318 -11.379 282 H LEU 34 H LEU 34 -12.773 3.767 -11.150 283 HA LEU 34 HA LEU 34 -11.273 6.148 -10.959 284 HB2 LEU 34 2HB LEU 34 -14.212 5.872 -11.706 285 HB3 LEU 34 1HB LEU 34 -13.169 7.226 -12.115 286 HG LEU 34 HG LEU 34 -12.823 4.384 -13.156 287 HD11 LEU 34 1HD1 LEU 34 -13.921 6.807 -14.603 288 HD12 LEU 34 2HD1 LEU 34 -14.845 5.404 -14.061 289 HD13 LEU 34 3HD1 LEU 34 -13.618 5.216 -15.311 290 HD21 LEU 34 1HD2 LEU 34 -11.171 5.330 -14.710 291 HD22 LEU 34 2HD2 LEU 34 -10.676 5.555 -13.035 292 HD23 LEU 34 3HD2 LEU 34 -11.338 6.914 -13.947 293 H GLN 35 H GLN 35 -14.111 5.045 -9.155 294 HA GLN 35 HA GLN 35 -14.669 7.462 -7.752 295 HB2 GLN 35 2HB GLN 35 -15.655 4.637 -7.659 296 HB3 GLN 35 1HB GLN 35 -15.791 5.503 -6.141 297 HG2 GLN 35 2HG GLN 35 -17.880 5.701 -7.235 298 HG3 GLN 35 1HG GLN 35 -17.102 7.275 -7.345 299 HE21 GLN 35 1HE2 GLN 35 -19.254 6.011 -8.933 300 HE22 GLN 35 2HE2 GLN 35 -18.735 6.116 -10.579 301 H GLN 36 H GLN 36 -12.845 4.500 -6.862 302 HA GLN 36 HA GLN 36 -12.186 5.495 -4.208 303 HB2 GLN 36 2HB GLN 36 -11.181 3.030 -5.693 304 HB3 GLN 36 1HB GLN 36 -10.836 3.396 -4.007 305 HG2 GLN 36 2HG GLN 36 -13.577 2.846 -5.172 306 HG3 GLN 36 1HG GLN 36 -12.609 1.710 -4.237 307 HE21 GLN 36 1HE2 GLN 36 -15.301 2.814 -3.739 308 HE22 GLN 36 2HE2 GLN 36 -15.224 3.519 -2.164 309 H GLU 37 H GLU 37 -10.874 5.868 -7.331 310 HA GLU 37 HA GLU 37 -8.172 5.805 -7.230 311 HB2 GLU 37 2HB GLU 37 -9.449 6.359 -9.248 312 HB3 GLU 37 1HB GLU 37 -9.916 7.914 -8.566 313 HG2 GLU 37 2HG GLU 37 -7.391 8.446 -8.508 314 HG3 GLU 37 1HG GLU 37 -7.188 7.043 -9.555 315 H VAL 38 H VAL 38 -9.968 8.866 -6.589 316 HA VAL 38 HA VAL 38 -7.661 10.396 -6.055 317 HB VAL 38 HB VAL 38 -10.545 11.015 -5.243 318 HG11 VAL 38 1HG1 VAL 38 -8.204 12.918 -5.646 319 HG12 VAL 38 2HG1 VAL 38 -8.942 12.496 -4.101 320 HG13 VAL 38 3HG1 VAL 38 -9.871 13.397 -5.302 321 HG21 VAL 38 1HG2 VAL 38 -9.093 11.727 -7.826 322 HG22 VAL 38 2HG2 VAL 38 -10.728 12.232 -7.392 323 HG23 VAL 38 3HG2 VAL 38 -10.374 10.523 -7.660 324 H SER 39 H SER 39 -9.880 8.658 -3.936 325 HA SER 39 HA SER 39 -8.930 9.535 -1.421 326 HB2 SER 39 2HB SER 39 -10.278 6.903 -2.175 327 HB3 SER 39 1HB SER 39 -10.084 7.513 -0.527 328 HG SER 39 HG SER 39 -12.027 8.246 -1.044 329 H TYR 40 H TYR 40 -8.139 6.681 -3.408 330 HA TYR 40 HA TYR 40 -6.301 5.418 -1.685 331 HB2 TYR 40 2HB TYR 40 -7.317 4.184 -3.533 332 HB3 TYR 40 1HB TYR 40 -6.631 5.287 -4.720 333 HD1 TYR 40 HD1 TYR 40 -5.284 3.173 -1.881 334 HD2 TYR 40 HD2 TYR 40 -4.887 4.313 -5.990 335 HE1 TYR 40 HE1 TYR 40 -3.356 1.677 -2.114 336 HE2 TYR 40 HE2 TYR 40 -2.948 2.811 -6.213 337 HH TYR 40 HH TYR 40 -1.334 1.660 -4.928 338 H LEU 41 H LEU 41 -5.925 7.834 -4.185 339 HA LEU 41 HA LEU 41 -3.094 7.750 -4.402 340 HB2 LEU 41 2HB LEU 41 -5.182 9.766 -5.297 341 HB3 LEU 41 1HB LEU 41 -3.483 9.894 -5.709 342 HG LEU 41 HG LEU 41 -5.378 7.678 -6.561 343 HD11 LEU 41 1HD1 LEU 41 -4.970 8.496 -8.833 344 HD12 LEU 41 2HD1 LEU 41 -3.996 9.819 -8.184 345 HD13 LEU 41 3HD1 LEU 41 -5.719 9.716 -7.805 346 HD21 LEU 41 1HD2 LEU 41 -3.183 6.702 -6.138 347 HD22 LEU 41 2HD2 LEU 41 -2.416 7.917 -7.164 348 HD23 LEU 41 3HD2 LEU 41 -3.525 6.735 -7.867 349 H GLN 42 H GLN 42 -5.339 10.050 -2.831 350 HA GLN 42 HA GLN 42 -3.386 11.753 -1.706 351 HB2 GLN 42 2HB GLN 42 -5.875 12.217 -1.991 352 HB3 GLN 42 1HB GLN 42 -6.166 11.183 -0.595 353 HG2 GLN 42 2HG GLN 42 -4.801 12.714 0.805 354 HG3 GLN 42 1HG GLN 42 -4.548 13.758 -0.594 355 HE21 GLN 42 1HE2 GLN 42 -5.819 14.356 1.981 356 HE22 GLN 42 2HE2 GLN 42 -7.421 14.893 1.613 357 H SER 43 H SER 43 -4.961 8.794 -0.516 358 HA SER 43 HA SER 43 -3.942 8.751 2.109 359 HB2 SER 43 2HB SER 43 -4.804 6.430 0.331 360 HB3 SER 43 1HB SER 43 -4.458 6.287 2.054 361 HG SER 43 HG SER 43 -6.336 8.132 1.035 362 H ILE 44 H ILE 44 -2.724 7.075 -0.839 363 HA ILE 44 HA ILE 44 -0.604 5.718 0.389 364 HB ILE 44 HB ILE 44 -1.483 5.032 -1.816 365 HG12 ILE 44 2HG1 ILE 44 1.501 5.654 -1.926 366 HG13 ILE 44 1HG1 ILE 44 0.767 4.219 -1.219 367 HG21 ILE 44 1HG2 ILE 44 -0.106 7.449 -3.011 368 HG22 ILE 44 2HG2 ILE 44 -1.845 7.235 -2.836 369 HG23 ILE 44 3HG2 ILE 44 -0.938 6.170 -3.907 370 HD11 ILE 44 1HD1 ILE 44 0.736 4.967 -4.150 371 HD12 ILE 44 2HD1 ILE 44 -0.027 3.539 -3.443 372 HD13 ILE 44 3HD1 ILE 44 1.725 3.721 -3.386 373 H GLU 45 H GLU 45 -0.654 8.898 -1.288 374 HA GLU 45 HA GLU 45 2.078 9.515 -0.984 375 HB2 GLU 45 2HB GLU 45 -0.378 11.259 -1.287 376 HB3 GLU 45 1HB GLU 45 1.212 11.981 -1.056 377 HG2 GLU 45 2HG GLU 45 0.401 10.139 -3.320 378 HG3 GLU 45 1HG GLU 45 0.615 11.885 -3.427 379 H THR 46 H THR 46 -0.679 10.281 1.214 380 HA THR 46 HA THR 46 0.725 11.653 3.203 381 HB THR 46 HB THR 46 -1.713 9.856 3.594 382 HG1 THR 46 HG1 THR 46 -1.715 11.767 2.054 383 HG21 THR 46 1HG2 THR 46 -0.664 10.447 5.767 384 HG22 THR 46 2HG2 THR 46 -2.216 11.258 5.571 385 HG23 THR 46 3HG2 THR 46 -0.718 12.158 5.326 386 H VAL 47 H VAL 47 0.334 8.149 2.767 387 HA VAL 47 HA VAL 47 1.357 7.297 5.282 388 HB VAL 47 HB VAL 47 1.371 5.713 2.669 389 HG11 VAL 47 1HG1 VAL 47 2.791 4.679 4.403 390 HG12 VAL 47 2HG1 VAL 47 1.352 3.699 4.119 391 HG13 VAL 47 3HG1 VAL 47 1.451 4.726 5.551 392 HG21 VAL 47 1HG2 VAL 47 -0.889 6.504 3.120 393 HG22 VAL 47 2HG2 VAL 47 -0.814 5.896 4.767 394 HG23 VAL 47 3HG2 VAL 47 -0.802 4.770 3.410 395 H MET 48 H MET 48 2.842 7.695 2.051 396 HA MET 48 HA MET 48 5.472 6.863 2.834 397 HB2 MET 48 2HB MET 48 4.538 8.489 0.442 398 HB3 MET 48 1HB MET 48 6.184 7.894 0.643 399 HG2 MET 48 2HG MET 48 5.343 5.579 0.643 400 HG3 MET 48 1HG MET 48 3.697 6.179 0.432 401 HE1 MET 48 1HE MET 48 2.778 7.264 -1.772 402 HE2 MET 48 2HE MET 48 3.793 7.710 -3.141 403 HE3 MET 48 3HE MET 48 3.970 8.555 -1.603 404 H GLU 49 H GLU 49 3.813 9.956 2.942 405 HA GLU 49 HA GLU 49 6.092 11.600 3.520 406 HB2 GLU 49 2HB GLU 49 3.111 11.974 4.038 407 HB3 GLU 49 1HB GLU 49 4.311 13.208 4.422 408 HG2 GLU 49 2HG GLU 49 4.896 13.477 2.101 409 HG3 GLU 49 1HG GLU 49 3.925 12.083 1.634 410 H LYS 50 H LYS 50 4.175 9.404 5.414 411 HA LYS 50 HA LYS 50 4.995 10.513 7.991 412 HB2 LYS 50 2HB LYS 50 2.751 8.950 7.111 413 HB3 LYS 50 1HB LYS 50 3.639 7.908 8.212 414 HG2 LYS 50 2HG LYS 50 1.879 9.186 9.382 415 HG3 LYS 50 1HG LYS 50 3.489 9.592 9.988 416 HD2 LYS 50 2HD LYS 50 2.111 11.625 9.748 417 HD3 LYS 50 1HD LYS 50 3.476 11.677 8.632 418 HE2 LYS 50 2HE LYS 50 1.923 10.872 6.821 419 HE3 LYS 50 1HE LYS 50 0.586 11.015 7.964 420 HZ1 LYS 50 1HZ LYS 50 1.070 13.370 8.167 421 HZ2 LYS 50 2HZ LYS 50 0.758 12.958 6.562 422 HZ3 LYS 50 3HZ LYS 50 2.344 13.237 7.067 423 H GLN 51 H GLN 51 6.352 9.542 9.426 424 HA GLN 51 HA GLN 51 8.446 7.848 8.317 425 HB2 GLN 51 2HB GLN 51 8.942 9.915 9.665 426 HB3 GLN 51 1HB GLN 51 8.209 9.154 11.068 427 HG2 GLN 51 2HG GLN 51 9.973 7.376 10.959 428 HG3 GLN 51 1HG GLN 51 10.727 8.249 9.631 429 HE21 GLN 51 1HE2 GLN 51 10.209 10.903 10.850 430 HE22 GLN 51 2HE2 GLN 51 11.331 11.022 12.156 431 H THR 52 H THR 52 9.207 5.930 9.461 432 HA THR 52 HA THR 52 7.133 4.206 10.472 433 HB THR 52 HB THR 52 10.134 3.701 10.338 434 HG1 THR 52 HG1 THR 52 8.319 4.082 8.396 435 HG21 THR 52 1HG2 THR 52 7.781 1.754 10.397 436 HG22 THR 52 2HG2 THR 52 8.933 2.007 11.711 437 HG23 THR 52 3HG2 THR 52 9.473 1.302 10.186 438 HA PRO 53 HA PRO 53 7.774 5.368 14.841 439 HB2 PRO 53 2HB PRO 53 6.286 3.338 15.982 440 HB3 PRO 53 1HB PRO 53 5.541 4.735 15.177 441 HG2 PRO 53 2HG PRO 53 6.082 1.998 14.044 442 HG3 PRO 53 1HG PRO 53 4.591 2.967 13.971 443 HD2 PRO 53 2HD PRO 53 6.269 2.905 11.888 444 HD3 PRO 53 1HD PRO 53 5.440 4.413 12.340 445 HA PRO 54 HA PRO 54 11.168 2.767 16.279 446 HB2 PRO 54 2HB PRO 54 10.953 3.069 19.028 447 HB3 PRO 54 1HB PRO 54 11.616 4.319 17.954 448 HG2 PRO 54 2HG PRO 54 8.847 4.096 19.096 449 HG3 PRO 54 1HG PRO 54 9.892 5.530 18.957 450 HD2 PRO 54 2HD PRO 54 7.890 5.084 17.200 451 HD3 PRO 54 1HD PRO 54 9.423 5.826 16.685 452 H GLY 55 H GLY 55 8.068 2.288 18.036 453 HA2 GLY 55 2HA GLY 55 8.678 -0.271 19.127 454 HA3 GLY 55 1HA GLY 55 7.102 0.493 19.062 455 H ILE 56 H ILE 56 9.416 -1.334 17.162 456 HA ILE 56 HA ILE 56 7.262 -2.575 15.544 457 HB ILE 56 HB ILE 56 10.217 -2.230 14.816 458 HG12 ILE 56 2HG1 ILE 56 8.954 -0.038 14.792 459 HG13 ILE 56 1HG1 ILE 56 9.600 -0.499 13.223 460 HG21 ILE 56 1HG2 ILE 56 9.561 -2.998 12.544 461 HG22 ILE 56 2HG2 ILE 56 7.920 -3.298 13.123 462 HG23 ILE 56 3HG2 ILE 56 9.270 -4.231 13.773 463 HD11 ILE 56 1HD1 ILE 56 7.388 -1.221 12.516 464 HD12 ILE 56 2HD1 ILE 56 7.392 0.459 13.051 465 HD13 ILE 56 3HD1 ILE 56 6.734 -0.794 14.102 466 H THR 57 H THR 57 7.092 -4.782 15.785 467 HA THR 57 HA THR 57 9.318 -6.319 17.009 468 HB THR 57 HB THR 57 7.674 -8.116 17.401 469 HG1 THR 57 HG1 THR 57 5.480 -7.776 16.874 470 HG21 THR 57 1HG2 THR 57 6.594 -5.449 18.394 471 HG22 THR 57 2HG2 THR 57 7.856 -6.405 19.176 472 HG23 THR 57 3HG2 THR 57 6.211 -7.037 19.069 473 H ARG 58 H ARG 58 9.276 -8.683 15.999 474 HA ARG 58 HA ARG 58 9.934 -8.536 13.246 475 HB2 ARG 58 2HB ARG 58 10.945 -10.241 14.725 476 HB3 ARG 58 1HB ARG 58 9.372 -10.985 14.990 477 HG2 ARG 58 2HG ARG 58 10.742 -12.283 13.397 478 HG3 ARG 58 1HG ARG 58 9.272 -11.673 12.628 479 HD2 ARG 58 2HD ARG 58 10.582 -9.825 11.619 480 HD3 ARG 58 1HD ARG 58 12.050 -10.461 12.376 481 HE ARG 58 HE ARG 58 10.885 -12.510 10.862 482 HH11 ARG 58 1HH1 ARG 58 12.424 -9.391 10.312 483 HH12 ARG 58 2HH1 ARG 58 13.012 -9.836 8.744 484 HH21 ARG 58 1HH2 ARG 58 11.695 -13.068 8.819 485 HH22 ARG 58 2HH2 ARG 58 12.604 -11.910 7.899 486 H SER 59 H SER 59 7.051 -9.701 15.004 487 HA SER 59 HA SER 59 5.608 -10.726 12.810 488 HB2 SER 59 2HB SER 59 3.624 -10.566 14.336 489 HB3 SER 59 1HB SER 59 5.020 -11.318 15.107 490 HG SER 59 HG SER 59 3.663 -9.258 15.969 491 H ILE 60 H ILE 60 5.591 -7.508 14.344 492 HA ILE 60 HA ILE 60 3.723 -6.195 12.705 493 HB ILE 60 HB ILE 60 6.138 -5.142 14.236 494 HG12 ILE 60 2HG1 ILE 60 3.154 -4.866 14.830 495 HG13 ILE 60 1HG1 ILE 60 4.192 -6.099 15.536 496 HG21 ILE 60 1HG2 ILE 60 5.740 -3.548 12.405 497 HG22 ILE 60 2HG2 ILE 60 5.257 -2.838 13.946 498 HG23 ILE 60 3HG2 ILE 60 4.031 -3.452 12.837 499 HD11 ILE 60 1HD1 ILE 60 4.500 -3.124 15.915 500 HD12 ILE 60 2HD1 ILE 60 5.508 -4.379 16.640 501 HD13 ILE 60 3HD1 ILE 60 3.802 -4.261 17.067 502 H GLN 61 H GLN 61 7.244 -6.600 12.351 503 HA GLN 61 HA GLN 61 7.660 -5.073 10.026 504 HB2 GLN 61 2HB GLN 61 9.476 -5.816 11.500 505 HB3 GLN 61 1HB GLN 61 9.159 -7.500 11.106 506 HG2 GLN 61 2HG GLN 61 9.888 -7.098 8.785 507 HG3 GLN 61 1HG GLN 61 10.178 -5.399 9.170 508 HE21 GLN 61 1HE2 GLN 61 12.371 -5.602 8.608 509 HE22 GLN 61 2HE2 GLN 61 13.506 -6.403 9.632 510 H ASP 62 H ASP 62 6.668 -8.456 10.453 511 HA ASP 62 HA ASP 62 6.826 -9.243 7.702 512 HB2 ASP 62 2HB ASP 62 5.209 -10.483 9.974 513 HB3 ASP 62 1HB ASP 62 5.482 -11.234 8.403 514 H MET 63 H MET 63 4.230 -7.993 9.785 515 HA MET 63 HA MET 63 2.122 -8.337 7.885 516 HB2 MET 63 2HB MET 63 2.238 -6.610 10.396 517 HB3 MET 63 1HB MET 63 0.791 -6.829 9.417 518 HG2 MET 63 2HG MET 63 0.885 -9.267 9.856 519 HG3 MET 63 1HG MET 63 2.272 -9.005 10.910 520 HE1 MET 63 1HE MET 63 1.383 -6.204 12.363 521 HE2 MET 63 2HE MET 63 2.122 -7.567 13.206 522 HE3 MET 63 3HE MET 63 0.620 -6.868 13.806 523 H VAL 64 H VAL 64 4.191 -5.565 8.742 524 HA VAL 64 HA VAL 64 2.878 -3.654 7.087 525 HB VAL 64 HB VAL 64 5.735 -3.585 8.182 526 HG11 VAL 64 1HG1 VAL 64 5.661 -1.135 7.721 527 HG12 VAL 64 2HG1 VAL 64 4.091 -1.340 6.940 528 HG13 VAL 64 3HG1 VAL 64 5.527 -2.086 6.238 529 HG21 VAL 64 1HG2 VAL 64 4.027 -3.641 9.966 530 HG22 VAL 64 2HG2 VAL 64 3.202 -2.265 9.236 531 HG23 VAL 64 3HG2 VAL 64 4.819 -2.063 9.915 532 H ALA 65 H ALA 65 5.997 -5.467 6.644 533 HA ALA 65 HA ALA 65 6.412 -4.663 3.953 534 HB1 ALA 65 1HB ALA 65 8.085 -6.445 3.780 535 HB2 ALA 65 2HB ALA 65 7.461 -7.202 5.256 536 HB3 ALA 65 3HB ALA 65 8.239 -5.626 5.337 537 H GLY 66 H GLY 66 4.487 -7.230 5.385 538 HA2 GLY 66 2HA GLY 66 3.940 -8.765 3.057 539 HA3 GLY 66 1HA GLY 66 2.962 -8.701 4.515 540 H TYR 67 H TYR 67 2.290 -5.959 4.528 541 HA TYR 67 HA TYR 67 0.135 -5.879 2.634 542 HB2 TYR 67 2HB TYR 67 1.130 -3.855 4.679 543 HB3 TYR 67 1HB TYR 67 -0.245 -3.532 3.620 544 HD1 TYR 67 HD1 TYR 67 -0.697 -6.906 4.104 545 HD2 TYR 67 HD2 TYR 67 -0.784 -3.279 6.367 546 HE1 TYR 67 HE1 TYR 67 -2.231 -7.944 5.696 547 HE2 TYR 67 HE2 TYR 67 -2.319 -4.327 7.939 548 HH TYR 67 HH TYR 67 -2.899 -7.670 8.035 549 H ILE 68 H ILE 68 3.226 -4.187 2.963 550 HA ILE 68 HA ILE 68 3.073 -2.446 0.778 551 HB ILE 68 HB ILE 68 5.574 -3.900 1.799 552 HG12 ILE 68 2HG1 ILE 68 4.573 -1.101 2.528 553 HG13 ILE 68 1HG1 ILE 68 4.394 -2.514 3.551 554 HG21 ILE 68 1HG2 ILE 68 5.355 -1.391 0.079 555 HG22 ILE 68 2HG2 ILE 68 5.923 -2.973 -0.458 556 HG23 ILE 68 3HG2 ILE 68 6.856 -2.059 0.727 557 HD11 ILE 68 1HD1 ILE 68 6.227 -1.134 4.291 558 HD12 ILE 68 2HD1 ILE 68 7.001 -1.265 2.712 559 HD13 ILE 68 3HD1 ILE 68 6.823 -2.696 3.731 560 H LYS 69 H LYS 69 4.246 -5.808 1.027 561 HA LYS 69 HA LYS 69 5.011 -6.253 -1.621 562 HB2 LYS 69 2HB LYS 69 5.594 -7.769 0.269 563 HB3 LYS 69 1HB LYS 69 3.918 -8.269 0.388 564 HG2 LYS 69 2HG LYS 69 5.021 -10.034 -0.728 565 HG3 LYS 69 1HG LYS 69 4.139 -9.184 -1.991 566 HD2 LYS 69 2HD LYS 69 7.090 -8.671 -1.447 567 HD3 LYS 69 1HD LYS 69 6.549 -9.966 -2.508 568 HE2 LYS 69 2HE LYS 69 6.077 -6.992 -2.919 569 HE3 LYS 69 1HE LYS 69 7.188 -8.017 -3.826 570 HZ1 LYS 69 1HZ LYS 69 5.142 -7.620 -5.035 571 HZ2 LYS 69 2HZ LYS 69 4.224 -8.304 -3.792 572 HZ3 LYS 69 3HZ LYS 69 5.309 -9.262 -4.675 573 H GLN 70 H GLN 70 1.937 -6.900 0.027 574 HA GLN 70 HA GLN 70 0.552 -8.194 -2.018 575 HB2 GLN 70 2HB GLN 70 -0.155 -8.117 0.387 576 HB3 GLN 70 1HB GLN 70 -0.626 -6.432 0.183 577 HG2 GLN 70 2HG GLN 70 -2.290 -7.163 -1.544 578 HG3 GLN 70 1HG GLN 70 -1.851 -8.838 -1.210 579 HE21 GLN 70 1HE2 GLN 70 -3.844 -9.478 -0.457 580 HE22 GLN 70 2HE2 GLN 70 -4.567 -8.868 0.993 581 H THR 71 H THR 71 0.758 -4.711 -1.203 582 HA THR 71 HA THR 71 -1.110 -3.970 -3.270 583 HB THR 71 HB THR 71 -1.072 -2.638 -1.226 584 HG1 THR 71 HG1 THR 71 -0.465 -1.377 -3.683 585 HG21 THR 71 1HG2 THR 71 0.668 -1.059 -0.663 586 HG22 THR 71 2HG2 THR 71 1.658 -1.601 -2.026 587 HG23 THR 71 3HG2 THR 71 1.338 -2.690 -0.674 588 H LEU 72 H LEU 72 2.365 -4.428 -3.054 589 HA LEU 72 HA LEU 72 3.033 -3.002 -5.463 590 HB2 LEU 72 2HB LEU 72 4.538 -5.265 -4.073 591 HB3 LEU 72 1HB LEU 72 5.158 -4.355 -5.439 592 HG LEU 72 HG LEU 72 4.686 -3.359 -2.628 593 HD11 LEU 72 1HD1 LEU 72 7.053 -2.812 -2.632 594 HD12 LEU 72 2HD1 LEU 72 7.214 -3.425 -4.281 595 HD13 LEU 72 3HD1 LEU 72 6.796 -4.525 -2.966 596 HD21 LEU 72 1HD2 LEU 72 5.244 -1.679 -5.078 597 HD22 LEU 72 2HD2 LEU 72 5.388 -1.122 -3.411 598 HD23 LEU 72 3HD2 LEU 72 3.820 -1.633 -4.026 599 H ASP 73 H ASP 73 2.002 -6.303 -4.726 600 HA ASP 73 HA ASP 73 2.227 -7.403 -7.333 601 HB2 ASP 73 2HB ASP 73 0.246 -8.107 -5.109 602 HB3 ASP 73 1HB ASP 73 0.460 -9.051 -6.581 603 H ASN 74 H ASN 74 -0.436 -5.818 -5.596 604 HA ASN 74 HA ASN 74 -2.358 -5.802 -7.652 605 HB2 ASN 74 2HB ASN 74 -2.096 -3.857 -5.314 606 HB3 ASN 74 1HB ASN 74 -3.543 -4.091 -6.292 607 HD21 ASN 74 1HD2 ASN 74 -3.191 -4.423 -3.422 608 HD22 ASN 74 2HD2 ASN 74 -3.630 -6.055 -3.064 609 H GLU 75 H GLU 75 0.210 -3.477 -6.860 610 HA GLU 75 HA GLU 75 -0.584 -1.391 -8.623 611 HB2 GLU 75 2HB GLU 75 2.080 -2.044 -7.297 612 HB3 GLU 75 1HB GLU 75 1.940 -0.709 -8.433 613 HG2 GLU 75 2HG GLU 75 0.362 -0.967 -5.858 614 HG3 GLU 75 1HG GLU 75 1.813 0.006 -6.060 615 H GLN 76 H GLN 76 1.851 -4.007 -8.941 616 HA GLN 76 HA GLN 76 2.774 -3.352 -11.506 617 HB2 GLN 76 2HB GLN 76 3.970 -4.954 -10.081 618 HB3 GLN 76 1HB GLN 76 2.626 -6.088 -10.164 619 HG2 GLN 76 2HG GLN 76 3.012 -6.346 -12.598 620 HG3 GLN 76 1HG GLN 76 4.365 -5.228 -12.499 621 HE21 GLN 76 1HE2 GLN 76 3.697 -7.717 -10.073 622 HE22 GLN 76 2HE2 GLN 76 5.071 -8.686 -10.458 623 H LEU 77 H LEU 77 0.182 -5.593 -10.513 624 HA LEU 77 HA LEU 77 -0.470 -6.582 -13.078 625 HB2 LEU 77 2HB LEU 77 -2.143 -6.453 -10.542 626 HB3 LEU 77 1HB LEU 77 -2.596 -7.367 -11.973 627 HG LEU 77 HG LEU 77 -0.126 -7.885 -10.269 628 HD11 LEU 77 1HD1 LEU 77 -1.255 -9.934 -9.537 629 HD12 LEU 77 2HD1 LEU 77 -2.704 -9.467 -10.433 630 HD13 LEU 77 3HD1 LEU 77 -2.153 -8.490 -9.069 631 HD21 LEU 77 1HD2 LEU 77 0.154 -9.936 -11.608 632 HD22 LEU 77 2HD2 LEU 77 0.296 -8.482 -12.593 633 HD23 LEU 77 3HD2 LEU 77 -1.185 -9.441 -12.649 634 H LEU 78 H LEU 78 -2.211 -4.170 -11.047 635 HA LEU 78 HA LEU 78 -4.135 -3.463 -12.993 636 HB2 LEU 78 2HB LEU 78 -3.145 -1.990 -10.536 637 HB3 LEU 78 1HB LEU 78 -4.457 -1.376 -11.535 638 HG LEU 78 HG LEU 78 -4.478 -4.042 -10.074 639 HD11 LEU 78 1HD1 LEU 78 -4.590 -2.126 -8.540 640 HD12 LEU 78 2HD1 LEU 78 -6.101 -3.035 -8.586 641 HD13 LEU 78 3HD1 LEU 78 -5.979 -1.493 -9.437 642 HD21 LEU 78 1HD2 LEU 78 -5.775 -4.130 -12.145 643 HD22 LEU 78 2HD2 LEU 78 -6.648 -2.662 -11.695 644 HD23 LEU 78 3HD2 LEU 78 -6.846 -4.136 -10.749 645 H LYS 79 H LYS 79 -1.406 -1.453 -11.829 646 HA LYS 79 HA LYS 79 -1.761 0.597 -13.716 647 HB2 LYS 79 2HB LYS 79 0.818 -0.108 -12.246 648 HB3 LYS 79 1HB LYS 79 0.426 1.451 -12.970 649 HG2 LYS 79 2HG LYS 79 -1.023 0.174 -10.622 650 HG3 LYS 79 1HG LYS 79 0.168 1.472 -10.511 651 HD2 LYS 79 2HD LYS 79 -1.312 2.995 -11.711 652 HD3 LYS 79 1HD LYS 79 -2.481 1.705 -12.002 653 HE2 LYS 79 2HE LYS 79 -3.169 3.231 -10.161 654 HE3 LYS 79 1HE LYS 79 -2.974 1.567 -9.609 655 HZ1 LYS 79 1HZ LYS 79 -0.827 2.146 -8.710 656 HZ2 LYS 79 2HZ LYS 79 -2.003 3.174 -8.073 657 HZ3 LYS 79 3HZ LYS 79 -0.967 3.722 -9.287 658 H GLY 80 H GLY 80 0.246 -2.347 -13.829 659 HA2 GLY 80 2HA GLY 80 1.633 -1.819 -16.254 660 HA3 GLY 80 1HA GLY 80 1.332 -3.396 -15.548 661 H LEU 81 H LEU 81 -1.472 -3.425 -15.594 662 HA LEU 81 HA LEU 81 -2.086 -4.212 -18.259 663 HB2 LEU 81 2HB LEU 81 -3.102 -5.084 -16.103 664 HB3 LEU 81 1HB LEU 81 -4.037 -3.614 -15.996 665 HG LEU 81 HG LEU 81 -4.338 -5.434 -18.419 666 HD11 LEU 81 1HD1 LEU 81 -5.817 -5.810 -15.793 667 HD12 LEU 81 2HD1 LEU 81 -4.609 -6.903 -16.471 668 HD13 LEU 81 3HD1 LEU 81 -6.142 -6.666 -17.307 669 HD21 LEU 81 1HD2 LEU 81 -5.438 -3.226 -18.546 670 HD22 LEU 81 2HD2 LEU 81 -6.321 -3.567 -17.058 671 HD23 LEU 81 3HD2 LEU 81 -6.629 -4.525 -18.510 672 H LEU 82 H LEU 82 -2.589 -1.278 -16.401 673 HA LEU 82 HA LEU 82 -4.455 -0.032 -18.224 674 HB2 LEU 82 2HB LEU 82 -2.946 1.005 -15.791 675 HB3 LEU 82 1HB LEU 82 -4.154 1.937 -16.664 676 HG LEU 82 HG LEU 82 -4.720 -0.697 -15.241 677 HD11 LEU 82 1HD1 LEU 82 -5.880 0.623 -13.530 678 HD12 LEU 82 2HD1 LEU 82 -5.349 2.119 -14.305 679 HD13 LEU 82 3HD1 LEU 82 -4.163 1.017 -13.599 680 HD21 LEU 82 1HD2 LEU 82 -6.242 -0.328 -17.107 681 HD22 LEU 82 2HD2 LEU 82 -6.620 1.294 -16.522 682 HD23 LEU 82 3HD2 LEU 82 -7.095 -0.121 -15.579 683 H GLN 83 H GLN 83 -0.989 0.193 -17.547 684 HA GLN 83 HA GLN 83 -0.339 1.128 -20.151 685 HB2 GLN 83 2HB GLN 83 -1.159 3.297 -19.139 686 HB3 GLN 83 1HB GLN 83 0.094 3.169 -17.911 687 HG2 GLN 83 2HG GLN 83 1.811 3.245 -19.754 688 HG3 GLN 83 1HG GLN 83 0.500 3.528 -20.898 689 HE21 GLN 83 1HE2 GLN 83 0.760 4.909 -17.629 690 HE22 GLN 83 2HE2 GLN 83 0.947 6.543 -18.157 691 H GLN 84 H GLN 84 1.105 1.807 -16.971 692 HA GLN 84 HA GLN 84 3.136 -0.250 -17.090 693 HB2 GLN 84 2HB GLN 84 3.884 2.685 -17.483 694 HB3 GLN 84 1HB GLN 84 5.021 1.542 -16.786 695 HG2 GLN 84 2HG GLN 84 3.811 1.325 -19.555 696 HG3 GLN 84 1HG GLN 84 5.420 1.952 -19.198 697 HE21 GLN 84 1HE2 GLN 84 4.644 -0.334 -20.858 698 HE22 GLN 84 2HE2 GLN 84 5.459 -1.709 -20.198 699 H ARG 85 H ARG 85 4.606 0.016 -15.068 700 HA ARG 85 HA ARG 85 2.954 0.204 -12.757 701 HB2 ARG 85 2HB ARG 85 6.000 0.088 -12.911 702 HB3 ARG 85 1HB ARG 85 5.034 -0.206 -11.467 703 HG2 ARG 85 2HG ARG 85 4.032 -2.188 -12.550 704 HG3 ARG 85 1HG ARG 85 5.017 -1.897 -13.987 705 HD2 ARG 85 2HD ARG 85 6.041 -2.569 -11.204 706 HD3 ARG 85 1HD ARG 85 6.037 -3.636 -12.608 707 HE ARG 85 HE ARG 85 7.842 -1.390 -12.089 708 HH11 ARG 85 1HH1 ARG 85 6.884 -3.901 -14.370 709 HH12 ARG 85 2HH1 ARG 85 8.344 -3.779 -15.296 710 HH21 ARG 85 1HH2 ARG 85 9.750 -1.262 -13.326 711 HH22 ARG 85 2HH2 ARG 85 9.953 -2.295 -14.706 712 H LEU 86 H LEU 86 2.112 2.307 -12.896 713 HA LEU 86 HA LEU 86 3.210 4.280 -11.235 714 HB2 LEU 86 2HB LEU 86 3.612 4.702 -14.199 715 HB3 LEU 86 1HB LEU 86 2.987 6.085 -13.317 716 HG LEU 86 HG LEU 86 5.636 4.678 -12.798 717 HD11 LEU 86 1HD1 LEU 86 6.658 6.787 -13.489 718 HD12 LEU 86 2HD1 LEU 86 5.065 7.456 -13.854 719 HD13 LEU 86 3HD1 LEU 86 5.686 6.090 -14.786 720 HD21 LEU 86 1HD2 LEU 86 6.046 6.393 -11.103 721 HD22 LEU 86 2HD2 LEU 86 4.653 5.411 -10.678 722 HD23 LEU 86 3HD2 LEU 86 4.422 7.036 -11.329 723 H ASP 87 H ASP 87 1.621 5.902 -10.784 724 HA ASP 87 HA ASP 87 -1.096 5.110 -11.332 725 HB2 ASP 87 2HB ASP 87 -0.225 7.704 -9.992 726 HB3 ASP 87 1HB ASP 87 -1.772 6.874 -9.830 727 H GLU 88 H GLU 88 -1.008 5.270 -13.606 728 HA GLU 88 HA GLU 88 -1.032 7.810 -14.962 729 HB2 GLU 88 2HB GLU 88 -2.272 6.310 -16.789 730 HB3 GLU 88 1HB GLU 88 -0.550 6.131 -16.507 731 HG2 GLU 88 2HG GLU 88 -1.751 3.965 -16.794 732 HG3 GLU 88 1HG GLU 88 -0.882 4.094 -15.266 733 H LEU 89 H LEU 89 -3.267 5.993 -13.065 734 HA LEU 89 HA LEU 89 -5.752 7.023 -13.574 735 HB2 LEU 89 2HB LEU 89 -4.403 6.661 -10.862 736 HB3 LEU 89 1HB LEU 89 -6.128 6.902 -11.083 737 HG LEU 89 HG LEU 89 -4.527 4.489 -12.027 738 HD11 LEU 89 1HD1 LEU 89 -6.591 4.754 -9.815 739 HD12 LEU 89 2HD1 LEU 89 -4.854 4.507 -9.613 740 HD13 LEU 89 3HD1 LEU 89 -5.840 3.245 -10.348 741 HD21 LEU 89 1HD2 LEU 89 -6.703 3.507 -12.683 742 HD22 LEU 89 2HD2 LEU 89 -6.316 4.940 -13.630 743 HD23 LEU 89 3HD2 LEU 89 -7.505 5.041 -12.327 744 H SER 90 H SER 90 -3.208 8.514 -11.600 745 HA SER 90 HA SER 90 -3.519 11.104 -12.706 746 HB2 SER 90 2HB SER 90 -5.467 11.308 -11.232 747 HB3 SER 90 1HB SER 90 -4.538 10.720 -9.858 748 HG SER 90 HG SER 90 -4.894 13.157 -10.392 749 H SER 91 H SER 91 -1.575 12.084 -12.530 750 HA SER 91 HA SER 91 0.644 10.673 -11.423 751 HB2 SER 91 2HB SER 91 0.570 13.491 -12.596 752 HB3 SER 91 1HB SER 91 2.008 12.488 -12.366 753 HG SER 91 HG SER 91 -0.202 11.704 -13.962 754 H LEU 92 H LEU 92 1.043 10.656 -9.338 755 HA LEU 92 HA LEU 92 0.087 12.477 -7.397 756 HB2 LEU 92 2HB LEU 92 2.185 10.281 -7.257 757 HB3 LEU 92 1HB LEU 92 1.537 11.106 -5.848 758 HG LEU 92 HG LEU 92 -0.138 9.453 -7.787 759 HD11 LEU 92 1HD1 LEU 92 0.864 8.684 -5.030 760 HD12 LEU 92 2HD1 LEU 92 1.377 7.982 -6.567 761 HD13 LEU 92 3HD1 LEU 92 -0.281 7.764 -6.014 762 HD21 LEU 92 1HD2 LEU 92 -1.865 9.650 -6.073 763 HD22 LEU 92 2HD2 LEU 92 -1.413 11.218 -6.723 764 HD23 LEU 92 3HD2 LEU 92 -0.833 10.718 -5.129 765 H ILE 93 H ILE 93 3.523 11.612 -7.773 766 HA ILE 93 HA ILE 93 4.260 14.470 -7.980 767 HB ILE 93 HB ILE 93 5.864 12.328 -6.483 768 HG12 ILE 93 2HG1 ILE 93 4.251 14.677 -5.397 769 HG13 ILE 93 1HG1 ILE 93 3.897 12.970 -5.159 770 HG21 ILE 93 1HG2 ILE 93 7.387 14.160 -5.819 771 HG22 ILE 93 2HG2 ILE 93 6.432 15.306 -6.761 772 HG23 ILE 93 3HG2 ILE 93 7.311 14.016 -7.578 773 HD11 ILE 93 1HD1 ILE 93 4.847 13.914 -3.169 774 HD12 ILE 93 2HD1 ILE 93 6.262 14.479 -4.052 775 HD13 ILE 93 3HD1 ILE 93 5.973 12.747 -3.854 776 H GLY 94 H GLY 94 3.741 13.582 -10.225 777 HA2 GLY 94 2HA GLY 94 4.413 13.229 -12.367 778 HA3 GLY 94 1HA GLY 94 5.914 13.951 -11.842 779 H GLN 95 H GLN 95 7.637 12.624 -11.244 780 HA GLN 95 HA GLN 95 8.028 10.262 -12.766 781 HB2 GLN 95 2HB GLN 95 10.261 10.183 -11.765 782 HB3 GLN 95 1HB GLN 95 9.880 11.829 -12.230 783 HG2 GLN 95 2HG GLN 95 9.642 10.825 -9.375 784 HG3 GLN 95 1HG GLN 95 11.120 11.529 -10.024 785 HE21 GLN 95 1HE2 GLN 95 9.567 12.500 -7.808 786 HE22 GLN 95 2HE2 GLN 95 9.046 14.095 -8.216 787 H SER 96 H SER 96 9.403 8.480 -11.226 788 HA SER 96 HA SER 96 7.185 7.002 -10.117 789 HB2 SER 96 2HB SER 96 10.096 6.202 -10.542 790 HB3 SER 96 1HB SER 96 8.774 5.105 -10.131 791 HG SER 96 HG SER 96 9.190 6.556 -12.525 792 H THR 97 H THR 97 7.970 9.249 -8.448 793 HA THR 97 HA THR 97 9.338 8.744 -6.130 794 HB THR 97 HB THR 97 6.598 10.092 -6.330 795 HG1 THR 97 HG1 THR 97 7.622 11.563 -7.407 796 HG21 THR 97 1HG2 THR 97 7.296 9.679 -3.975 797 HG22 THR 97 2HG2 THR 97 7.318 11.401 -4.359 798 HG23 THR 97 3HG2 THR 97 8.832 10.498 -4.293 799 H ARG 98 H ARG 98 5.887 8.191 -6.547 800 HA ARG 98 HA ARG 98 5.141 6.796 -4.354 801 HB2 ARG 98 2HB ARG 98 3.383 5.699 -6.021 802 HB3 ARG 98 1HB ARG 98 3.340 7.420 -5.689 803 HG2 ARG 98 2HG ARG 98 4.963 6.553 -8.069 804 HG3 ARG 98 1HG ARG 98 3.212 6.417 -8.199 805 HD2 ARG 98 2HD ARG 98 2.990 8.826 -7.631 806 HD3 ARG 98 1HD ARG 98 4.741 8.960 -7.519 807 HE ARG 98 HE ARG 98 4.899 8.850 -9.849 808 HH11 ARG 98 1HH1 ARG 98 1.539 8.528 -8.887 809 HH12 ARG 98 2HH1 ARG 98 0.931 8.861 -10.482 810 HH21 ARG 98 1HH2 ARG 98 4.096 9.327 -11.913 811 HH22 ARG 98 2HH2 ARG 98 2.381 9.312 -12.194 812 H GLN 99 H GLN 99 6.199 5.211 -7.418 813 HA GLN 99 HA GLN 99 5.875 2.553 -6.457 814 HB2 GLN 99 2HB GLN 99 7.531 3.588 -8.798 815 HB3 GLN 99 1HB GLN 99 7.108 1.898 -8.527 816 HG2 GLN 99 2HG GLN 99 5.141 4.146 -9.050 817 HG3 GLN 99 1HG GLN 99 5.678 2.961 -10.236 818 HE21 GLN 99 1HE2 GLN 99 3.626 3.529 -7.481 819 HE22 GLN 99 2HE2 GLN 99 2.755 2.040 -7.558 820 H LYS 100 H LYS 100 8.689 4.662 -6.794 821 HA LYS 100 HA LYS 100 10.705 2.903 -5.934 822 HB2 LYS 100 2HB LYS 100 11.241 4.928 -7.196 823 HB3 LYS 100 1HB LYS 100 10.588 5.957 -5.937 824 HG2 LYS 100 2HG LYS 100 12.911 4.152 -5.272 825 HG3 LYS 100 1HG LYS 100 13.218 5.607 -6.219 826 HD2 LYS 100 2HD LYS 100 12.419 7.033 -4.422 827 HD3 LYS 100 1HD LYS 100 11.802 5.649 -3.520 828 HE2 LYS 100 2HE LYS 100 14.144 4.838 -3.247 829 HE3 LYS 100 1HE LYS 100 14.718 6.299 -4.054 830 HZ1 LYS 100 1HZ LYS 100 13.145 6.242 -1.534 831 HZ2 LYS 100 2HZ LYS 100 13.755 7.621 -2.297 832 HZ3 LYS 100 3HZ LYS 100 14.813 6.484 -1.644 833 H SER 101 H SER 101 8.493 5.035 -4.156 834 HA SER 101 HA SER 101 9.993 4.929 -1.694 835 HB2 SER 101 2HB SER 101 7.254 6.088 -2.344 836 HB3 SER 101 1HB SER 101 8.036 6.227 -0.764 837 HG SER 101 HG SER 101 8.325 7.977 -2.415 838 H LEU 102 H LEU 102 7.116 3.275 -2.993 839 HA LEU 102 HA LEU 102 6.536 1.828 -0.582 840 HB2 LEU 102 2HB LEU 102 5.656 1.591 -3.447 841 HB3 LEU 102 1HB LEU 102 5.466 0.175 -2.433 842 HG LEU 102 HG LEU 102 4.046 1.474 -0.863 843 HD11 LEU 102 1HD1 LEU 102 4.923 3.703 -1.208 844 HD12 LEU 102 2HD1 LEU 102 3.180 3.676 -1.468 845 HD13 LEU 102 3HD1 LEU 102 4.276 3.733 -2.851 846 HD21 LEU 102 1HD2 LEU 102 3.068 1.517 -3.735 847 HD22 LEU 102 2HD2 LEU 102 2.046 1.610 -2.298 848 HD23 LEU 102 3HD2 LEU 102 2.980 0.150 -2.620 849 H ASN 103 H ASN 103 8.457 1.075 -3.501 850 HA ASN 103 HA ASN 103 9.315 -1.517 -2.738 851 HB2 ASN 103 2HB ASN 103 9.505 -0.621 -5.057 852 HB3 ASN 103 1HB ASN 103 10.746 0.507 -4.518 853 HD21 ASN 103 1HD2 ASN 103 12.832 -0.294 -4.063 854 HD22 ASN 103 2HD2 ASN 103 13.331 -1.876 -4.542 855 H ASN 104 H ASN 104 10.660 1.690 -2.193 856 HA ASN 104 HA ASN 104 13.057 1.017 -0.842 857 HB2 ASN 104 2HB ASN 104 12.755 3.254 -1.782 858 HB3 ASN 104 1HB ASN 104 11.347 3.548 -0.771 859 HD21 ASN 104 1HD2 ASN 104 11.660 4.112 1.398 860 HD22 ASN 104 2HD2 ASN 104 13.196 4.587 2.026 861 H ALA 105 H ALA 105 9.729 1.623 0.204 862 HA ALA 105 HA ALA 105 10.090 1.622 2.985 863 HB1 ALA 105 1HB ALA 105 7.687 1.124 3.130 864 HB2 ALA 105 2HB ALA 105 7.657 0.690 1.417 865 HB3 ALA 105 3HB ALA 105 7.996 2.352 1.902 866 H TYR 106 H TYR 106 9.324 -1.054 0.740 867 HA TYR 106 HA TYR 106 9.155 -3.143 2.598 868 HB2 TYR 106 2HB TYR 106 8.453 -3.218 0.146 869 HB3 TYR 106 1HB TYR 106 10.149 -3.382 -0.286 870 HD1 TYR 106 HD1 TYR 106 11.419 -5.486 0.677 871 HD2 TYR 106 HD2 TYR 106 7.165 -5.152 0.665 872 HE1 TYR 106 HE1 TYR 106 11.235 -7.913 0.955 873 HE2 TYR 106 HE2 TYR 106 6.997 -7.579 0.951 874 HH TYR 106 HH TYR 106 9.623 -9.550 1.787 875 H GLY 107 H GLY 107 11.951 -2.121 0.596 876 HA2 GLY 107 2HA GLY 107 13.691 -4.201 1.470 877 HA3 GLY 107 1HA GLY 107 14.147 -2.788 0.529 878 H ARG 108 H ARG 108 13.433 -0.746 2.336 879 HA ARG 108 HA ARG 108 15.667 -0.748 4.100 880 HB2 ARG 108 2HB ARG 108 13.309 1.180 3.997 881 HB3 ARG 108 1HB ARG 108 14.749 1.419 4.980 882 HG2 ARG 108 2HG ARG 108 14.663 1.329 1.947 883 HG3 ARG 108 1HG ARG 108 14.798 2.781 2.934 884 HD2 ARG 108 2HD ARG 108 16.985 2.343 2.145 885 HD3 ARG 108 1HD ARG 108 16.992 1.795 3.826 886 HE ARG 108 HE ARG 108 16.346 -0.348 2.079 887 HH11 ARG 108 1HH1 ARG 108 19.144 1.574 3.027 888 HH12 ARG 108 2HH1 ARG 108 20.269 0.306 2.658 889 HH21 ARG 108 1HH2 ARG 108 17.835 -1.965 1.605 890 HH22 ARG 108 2HH2 ARG 108 19.528 -1.685 1.858 891 H LEU 109 H LEU 109 12.184 -1.421 4.544 892 HA LEU 109 HA LEU 109 12.170 -1.569 7.366 893 HB2 LEU 109 2HB LEU 109 10.113 -1.564 5.995 894 HB3 LEU 109 1HB LEU 109 10.499 -3.168 5.398 895 HG LEU 109 HG LEU 109 10.207 -4.101 7.693 896 HD11 LEU 109 1HD1 LEU 109 9.228 -2.742 9.499 897 HD12 LEU 109 2HD1 LEU 109 9.402 -1.290 8.508 898 HD13 LEU 109 3HD1 LEU 109 10.834 -2.170 9.048 899 HD21 LEU 109 1HD2 LEU 109 7.785 -3.909 7.799 900 HD22 LEU 109 2HD2 LEU 109 8.317 -4.041 6.126 901 HD23 LEU 109 3HD2 LEU 109 7.826 -2.476 6.769 902 H SER 110 H SER 110 12.861 -3.973 4.889 903 HA SER 110 HA SER 110 13.287 -6.181 6.623 904 HB2 SER 110 2HB SER 110 12.654 -6.275 4.173 905 HB3 SER 110 1HB SER 110 14.303 -5.798 3.775 906 HG SER 110 HG SER 110 13.524 -8.122 5.216 907 H GLY 111 H GLY 111 15.417 -3.623 5.338 908 HA2 GLY 111 2HA GLY 111 17.870 -4.968 6.239 909 HA3 GLY 111 1HA GLY 111 17.763 -3.478 5.326 910 H MET 112 H MET 112 16.614 -1.614 6.707 911 HA MET 112 HA MET 112 18.193 -1.365 9.169 912 HB2 MET 112 2HB MET 112 17.267 0.495 7.083 913 HB3 MET 112 1HB MET 112 16.812 1.099 8.665 914 HG2 MET 112 2HG MET 112 19.603 0.434 7.717 915 HG3 MET 112 1HG MET 112 18.938 2.037 8.031 916 HE1 MET 112 1HE MET 112 18.438 1.792 11.986 917 HE2 MET 112 2HE MET 112 17.253 1.236 10.806 918 HE3 MET 112 3HE MET 112 18.104 2.762 10.554 919 H LEU 113 H LEU 113 14.927 -0.158 8.335 920 HA LEU 113 HA LEU 113 13.316 -1.626 10.053 921 HB2 LEU 113 2HB LEU 113 14.739 -0.430 11.851 922 HB3 LEU 113 1HB LEU 113 14.032 1.079 11.309 923 HG LEU 113 HG LEU 113 11.769 0.270 11.990 924 HD11 LEU 113 1HD1 LEU 113 13.201 -2.185 13.033 925 HD12 LEU 113 2HD1 LEU 113 12.073 -2.114 11.672 926 HD13 LEU 113 3HD1 LEU 113 11.504 -1.770 13.301 927 HD21 LEU 113 1HD2 LEU 113 13.064 1.591 13.596 928 HD22 LEU 113 2HD2 LEU 113 13.774 0.116 14.260 929 HD23 LEU 113 3HD2 LEU 113 12.037 0.410 14.413 930 H LEU 114 H LEU 114 13.605 0.083 7.501 931 HA LEU 114 HA LEU 114 12.387 1.203 5.995 932 HB2 LEU 114 2HB LEU 114 10.380 0.190 7.362 933 HB3 LEU 114 1HB LEU 114 10.166 1.821 7.936 934 HG LEU 114 HG LEU 114 10.106 1.087 4.990 935 HD11 LEU 114 1HD1 LEU 114 8.361 -0.190 6.112 936 HD12 LEU 114 2HD1 LEU 114 7.647 1.082 5.123 937 HD13 LEU 114 3HD1 LEU 114 7.738 1.277 6.877 938 HD21 LEU 114 1HD2 LEU 114 8.879 3.205 4.684 939 HD22 LEU 114 2HD2 LEU 114 10.476 3.481 5.376 940 HD23 LEU 114 3HD2 LEU 114 9.048 3.558 6.408 941 H VAL 115 H VAL 115 13.100 2.401 9.092 942 HA VAL 115 HA VAL 115 13.449 5.171 8.121 943 HB VAL 115 HB VAL 115 11.847 5.036 9.996 944 HG11 VAL 115 1HG1 VAL 115 12.561 2.921 11.035 945 HG12 VAL 115 2HG1 VAL 115 12.434 4.210 12.235 946 HG13 VAL 115 3HG1 VAL 115 14.021 3.702 11.647 947 HG21 VAL 115 1HG2 VAL 115 14.495 6.218 10.892 948 HG22 VAL 115 2HG2 VAL 115 12.914 6.611 11.576 949 HG23 VAL 115 3HG2 VAL 115 13.278 7.016 9.896 950 HA PRO 116 HA PRO 116 17.845 4.001 8.616 951 HB2 PRO 116 2HB PRO 116 19.033 6.373 8.027 952 HB3 PRO 116 1HB PRO 116 18.141 5.464 6.785 953 HG2 PRO 116 2HG PRO 116 17.194 7.799 8.434 954 HG3 PRO 116 1HG PRO 116 17.061 7.545 6.678 955 HD2 PRO 116 2HD PRO 116 15.002 7.002 8.401 956 HD3 PRO 116 1HD PRO 116 15.243 6.099 6.887 957 H ASP 117 H ASP 117 16.261 4.743 11.070 958 HA ASP 117 HA ASP 117 17.958 6.514 12.642 959 HB2 ASP 117 2HB ASP 117 15.510 6.719 12.794 960 HB3 ASP 117 1HB ASP 117 15.369 5.035 13.292 961 H ALA 118 H ALA 118 16.484 3.439 13.734 962 HA ALA 118 HA ALA 118 19.025 2.150 14.262 963 HB1 ALA 118 1HB ALA 118 17.267 3.026 16.593 964 HB2 ALA 118 2HB ALA 118 18.870 3.653 16.210 965 HB3 ALA 118 3HB ALA 118 18.682 1.973 16.715 966 HA PRO 119 HA PRO 119 16.077 -1.184 13.409 967 HB2 PRO 119 2HB PRO 119 17.770 -3.338 13.778 968 HB3 PRO 119 1HB PRO 119 17.808 -2.313 12.329 969 HG2 PRO 119 2HG PRO 119 19.603 -2.238 14.728 970 HG3 PRO 119 1HG PRO 119 20.019 -2.073 13.008 971 HD2 PRO 119 2HD PRO 119 19.795 0.081 14.667 972 HD3 PRO 119 1HD PRO 119 19.419 0.168 12.933 973 H GLY 120 H GLY 120 14.602 -1.098 15.051 974 HA2 GLY 120 2HA GLY 120 15.242 -2.320 17.685 975 HA3 GLY 120 1HA GLY 120 14.055 -1.053 17.422 976 H ALA 121 H ALA 121 14.116 -3.517 15.014 977 HA ALA 121 HA ALA 121 11.472 -4.426 15.655 978 HB1 ALA 121 1HB ALA 121 11.752 -5.963 13.736 979 HB2 ALA 121 2HB ALA 121 13.467 -5.546 13.650 980 HB3 ALA 121 3HB ALA 121 12.243 -4.319 13.320 981 H SER 122 H SER 122 11.236 -5.591 17.506 982 HA SER 122 HA SER 122 13.149 -7.611 18.383 983 HB2 SER 122 2HB SER 122 10.471 -6.734 19.559 984 HB3 SER 122 1HB SER 122 11.619 -7.828 20.338 985 HG SER 122 HG SER 122 13.156 -6.083 20.194 Start of MODEL 3 1 H1 MET 1 1H MET 1 0.678 2.034 22.015 2 H2 MET 1 2H MET 1 1.742 0.735 22.182 3 H3 MET 1 3H MET 1 0.321 0.554 21.289 4 HA MET 1 HA MET 1 2.540 2.380 20.603 5 HB2 MET 1 2HB MET 1 3.080 0.777 18.773 6 HB3 MET 1 1HB MET 1 3.275 0.045 20.358 7 HG2 MET 1 2HG MET 1 1.263 -1.238 20.100 8 HG3 MET 1 1HG MET 1 0.801 -0.334 18.660 9 HE1 MET 1 1HE MET 1 0.565 -3.355 18.412 10 HE2 MET 1 2HE MET 1 1.466 -3.701 16.938 11 HE3 MET 1 3HE MET 1 0.430 -2.279 17.013 12 H THR 2 H THR 2 0.411 3.777 20.639 13 HA THR 2 HA THR 2 -1.710 3.359 18.899 14 HB THR 2 HB THR 2 -1.876 4.976 20.727 15 HG1 THR 2 HG1 THR 2 -3.344 5.289 19.057 16 HG21 THR 2 1HG2 THR 2 0.382 6.000 20.614 17 HG22 THR 2 2HG2 THR 2 -0.886 7.226 20.608 18 HG23 THR 2 3HG2 THR 2 -0.062 6.806 19.105 19 H SER 3 H SER 3 1.356 5.068 18.223 20 HA SER 3 HA SER 3 0.586 6.094 15.659 21 HB2 SER 3 2HB SER 3 3.387 5.677 16.780 22 HB3 SER 3 1HB SER 3 2.934 6.751 15.450 23 HG SER 3 HG SER 3 2.968 8.065 17.174 24 H THR 4 H THR 4 2.140 3.131 16.786 25 HA THR 4 HA THR 4 2.956 2.181 14.202 26 HB THR 4 HB THR 4 2.609 0.613 16.801 27 HG1 THR 4 HG1 THR 4 5.125 0.933 16.407 28 HG21 THR 4 1HG2 THR 4 2.698 -0.890 14.840 29 HG22 THR 4 2HG2 THR 4 4.185 -1.013 15.783 30 HG23 THR 4 3HG2 THR 4 4.170 -0.087 14.282 31 H VAL 5 H VAL 5 0.127 1.659 16.313 32 HA VAL 5 HA VAL 5 -1.187 -0.317 14.770 33 HB VAL 5 HB VAL 5 -2.363 1.746 16.700 34 HG11 VAL 5 1HG1 VAL 5 -4.137 0.925 15.198 35 HG12 VAL 5 2HG1 VAL 5 -4.373 0.301 16.832 36 HG13 VAL 5 3HG1 VAL 5 -3.707 -0.746 15.575 37 HG21 VAL 5 1HG2 VAL 5 -2.398 -0.098 18.345 38 HG22 VAL 5 2HG2 VAL 5 -0.758 0.201 17.767 39 HG23 VAL 5 3HG2 VAL 5 -1.666 -1.181 17.154 40 H GLU 6 H GLU 6 -1.334 3.236 14.809 41 HA GLU 6 HA GLU 6 -3.109 3.734 12.717 42 HB2 GLU 6 2HB GLU 6 -0.661 5.237 13.712 43 HB3 GLU 6 1HB GLU 6 -1.613 5.853 12.366 44 HG2 GLU 6 2HG GLU 6 -2.755 5.276 15.111 45 HG3 GLU 6 1HG GLU 6 -2.149 6.853 14.606 46 H PHE 7 H PHE 7 0.416 3.249 12.632 47 HA PHE 7 HA PHE 7 0.825 3.771 9.902 48 HB2 PHE 7 2HB PHE 7 2.564 3.793 11.762 49 HB3 PHE 7 1HB PHE 7 2.563 2.036 11.713 50 HD1 PHE 7 HD1 PHE 7 3.070 5.023 9.508 51 HD2 PHE 7 HD2 PHE 7 4.117 0.940 10.281 52 HE1 PHE 7 HE1 PHE 7 4.770 5.124 7.739 53 HE2 PHE 7 HE2 PHE 7 5.812 1.056 8.508 54 HZ PHE 7 HZ PHE 7 6.137 3.144 7.240 55 H ILE 8 H ILE 8 0.372 0.680 11.639 56 HA ILE 8 HA ILE 8 0.620 -1.104 9.457 57 HB ILE 8 HB ILE 8 -1.014 -1.463 12.021 58 HG12 ILE 8 2HG1 ILE 8 1.783 -2.552 11.455 59 HG13 ILE 8 1HG1 ILE 8 1.480 -1.074 12.360 60 HG21 ILE 8 1HG2 ILE 8 -0.092 -3.580 10.036 61 HG22 ILE 8 2HG2 ILE 8 -1.755 -3.046 10.293 62 HG23 ILE 8 3HG2 ILE 8 -0.898 -3.903 11.574 63 HD11 ILE 8 1HD1 ILE 8 0.552 -3.836 13.146 64 HD12 ILE 8 2HD1 ILE 8 0.254 -2.348 14.050 65 HD13 ILE 8 3HD1 ILE 8 1.900 -2.942 13.844 66 H ASN 9 H ASN 9 -2.145 0.558 10.955 67 HA ASN 9 HA ASN 9 -4.198 -0.654 9.410 68 HB2 ASN 9 2HB ASN 9 -4.621 0.361 11.622 69 HB3 ASN 9 1HB ASN 9 -4.224 1.954 10.988 70 HD21 ASN 9 1HD2 ASN 9 -6.515 -0.722 10.721 71 HD22 ASN 9 2HD2 ASN 9 -7.841 0.234 10.147 72 H ARG 10 H ARG 10 -2.126 2.094 8.872 73 HA ARG 10 HA ARG 10 -3.611 3.131 6.608 74 HB2 ARG 10 2HB ARG 10 -0.894 3.836 7.784 75 HB3 ARG 10 1HB ARG 10 -1.578 4.643 6.374 76 HG2 ARG 10 2HG ARG 10 -3.487 5.420 7.705 77 HG3 ARG 10 1HG ARG 10 -2.873 4.559 9.116 78 HD2 ARG 10 2HD ARG 10 -0.826 6.015 9.024 79 HD3 ARG 10 1HD ARG 10 -1.596 6.938 7.730 80 HE ARG 10 HE ARG 10 -2.754 6.674 10.449 81 HH11 ARG 10 1HH1 ARG 10 -1.979 8.692 7.665 82 HH12 ARG 10 2HH1 ARG 10 -2.682 10.118 8.360 83 HH21 ARG 10 1HH2 ARG 10 -3.650 8.543 11.349 84 HH22 ARG 10 2HH2 ARG 10 -3.637 10.031 10.462 85 H TRP 11 H TRP 11 -0.872 0.954 7.162 86 HA TRP 11 HA TRP 11 -0.409 0.485 4.364 87 HB2 TRP 11 2HB TRP 11 0.480 -0.938 6.882 88 HB3 TRP 11 1HB TRP 11 0.680 -1.735 5.322 89 HD1 TRP 11 HD1 TRP 11 2.513 0.542 7.559 90 HE1 TRP 11 HE1 TRP 11 4.452 1.667 6.307 91 HE3 TRP 11 HE3 TRP 11 1.184 -0.567 2.735 92 HZ2 TRP 11 HZ2 TRP 11 5.316 2.068 3.675 93 HZ3 TRP 11 HZ3 TRP 11 2.618 0.249 0.903 94 HH2 TRP 11 HH2 TRP 11 4.644 1.541 1.369 95 H GLN 12 H GLN 12 -2.663 -0.844 6.751 96 HA GLN 12 HA GLN 12 -3.729 -2.923 5.116 97 HB2 GLN 12 2HB GLN 12 -5.259 -1.293 7.211 98 HB3 GLN 12 1HB GLN 12 -5.761 -2.832 6.512 99 HG2 GLN 12 2HG GLN 12 -3.694 -3.841 7.566 100 HG3 GLN 12 1HG GLN 12 -3.481 -2.324 8.429 101 HE21 GLN 12 1HE2 GLN 12 -5.305 -5.257 8.197 102 HE22 GLN 12 2HE2 GLN 12 -6.230 -5.041 9.642 103 H ARG 13 H ARG 13 -4.310 0.516 5.516 104 HA ARG 13 HA ARG 13 -6.604 0.858 3.982 105 HB2 ARG 13 2HB ARG 13 -5.627 2.575 5.488 106 HB3 ARG 13 1HB ARG 13 -4.285 2.784 4.376 107 HG2 ARG 13 2HG ARG 13 -5.825 4.608 4.102 108 HG3 ARG 13 1HG ARG 13 -5.854 3.608 2.649 109 HD2 ARG 13 2HD ARG 13 -7.962 2.585 3.369 110 HD3 ARG 13 1HD ARG 13 -7.915 3.514 4.878 111 HE ARG 13 HE ARG 13 -7.745 5.343 2.785 112 HH11 ARG 13 1HH1 ARG 13 -10.146 3.035 3.947 113 HH12 ARG 13 2HH1 ARG 13 -11.489 3.961 3.362 114 HH21 ARG 13 1HH2 ARG 13 -9.520 6.562 2.062 115 HH22 ARG 13 2HH2 ARG 13 -11.132 5.960 2.293 116 H ILE 14 H ILE 14 -3.155 1.257 2.951 117 HA ILE 14 HA ILE 14 -3.756 1.634 0.194 118 HB ILE 14 HB ILE 14 -1.114 0.485 1.207 119 HG12 ILE 14 2HG1 ILE 14 -1.847 3.449 1.039 120 HG13 ILE 14 1HG1 ILE 14 -1.744 2.531 2.539 121 HG21 ILE 14 1HG2 ILE 14 -0.158 1.647 -0.759 122 HG22 ILE 14 2HG2 ILE 14 -1.758 2.249 -1.195 123 HG23 ILE 14 3HG2 ILE 14 -1.423 0.520 -1.251 124 HD11 ILE 14 1HD1 ILE 14 0.561 2.940 0.633 125 HD12 ILE 14 2HD1 ILE 14 0.611 2.176 2.226 126 HD13 ILE 14 3HD1 ILE 14 0.247 3.890 2.082 127 H ALA 15 H ALA 15 -2.831 -1.283 2.046 128 HA ALA 15 HA ALA 15 -2.445 -3.129 -0.025 129 HB1 ALA 15 1HB ALA 15 -2.700 -4.866 1.718 130 HB2 ALA 15 2HB ALA 15 -3.412 -3.674 2.813 131 HB3 ALA 15 3HB ALA 15 -1.730 -3.518 2.321 132 H LEU 16 H LEU 16 -5.349 -2.384 1.821 133 HA LEU 16 HA LEU 16 -6.952 -4.490 0.637 134 HB2 LEU 16 2HB LEU 16 -7.814 -2.243 2.497 135 HB3 LEU 16 1HB LEU 16 -8.816 -3.607 2.030 136 HG LEU 16 HG LEU 16 -6.295 -3.729 3.727 137 HD11 LEU 16 1HD1 LEU 16 -9.192 -4.159 4.505 138 HD12 LEU 16 2HD1 LEU 16 -8.183 -2.775 4.934 139 HD13 LEU 16 3HD1 LEU 16 -7.790 -4.375 5.560 140 HD21 LEU 16 1HD2 LEU 16 -8.113 -5.998 2.878 141 HD22 LEU 16 2HD2 LEU 16 -6.799 -6.109 4.053 142 HD23 LEU 16 3HD2 LEU 16 -6.440 -5.738 2.370 143 H LEU 17 H LEU 17 -6.717 -0.927 0.349 144 HA LEU 17 HA LEU 17 -8.936 -0.560 -1.367 145 HB2 LEU 17 2HB LEU 17 -6.393 1.075 -1.074 146 HB3 LEU 17 1HB LEU 17 -7.687 1.541 -2.164 147 HG LEU 17 HG LEU 17 -7.879 1.357 0.869 148 HD11 LEU 17 1HD1 LEU 17 -8.168 3.789 0.787 149 HD12 LEU 17 2HD1 LEU 17 -7.940 3.773 -0.964 150 HD13 LEU 17 3HD1 LEU 17 -6.615 3.303 0.107 151 HD21 LEU 17 1HD2 LEU 17 -10.149 2.274 0.624 152 HD22 LEU 17 2HD2 LEU 17 -10.001 0.679 -0.108 153 HD23 LEU 17 3HD2 LEU 17 -10.029 2.120 -1.131 154 H SER 18 H SER 18 -5.478 -1.151 -2.121 155 HA SER 18 HA SER 18 -5.720 -1.081 -4.942 156 HB2 SER 18 2HB SER 18 -3.509 -2.222 -4.955 157 HB3 SER 18 1HB SER 18 -3.542 -0.856 -3.838 158 HG SER 18 HG SER 18 -3.240 -2.163 -2.231 159 H GLN 19 H GLN 19 -5.913 -3.746 -2.575 160 HA GLN 19 HA GLN 19 -6.227 -5.891 -4.359 161 HB2 GLN 19 2HB GLN 19 -5.818 -6.160 -1.923 162 HB3 GLN 19 1HB GLN 19 -7.441 -5.572 -1.580 163 HG2 GLN 19 2HG GLN 19 -7.289 -8.033 -1.408 164 HG3 GLN 19 1HG GLN 19 -8.425 -7.529 -2.658 165 HE21 GLN 19 1HE2 GLN 19 -5.233 -8.891 -2.078 166 HE22 GLN 19 2HE2 GLN 19 -5.030 -9.573 -3.652 167 H SER 20 H SER 20 -8.656 -3.700 -2.941 168 HA SER 20 HA SER 20 -10.965 -4.823 -4.085 169 HB2 SER 20 2HB SER 20 -10.435 -1.898 -3.411 170 HB3 SER 20 1HB SER 20 -12.022 -2.620 -3.691 171 HG SER 20 HG SER 20 -10.416 -2.699 -1.468 172 H LEU 21 H LEU 21 -8.776 -2.260 -5.244 173 HA LEU 21 HA LEU 21 -10.157 -1.647 -7.635 174 HB2 LEU 21 2HB LEU 21 -7.208 -1.216 -6.996 175 HB3 LEU 21 1HB LEU 21 -8.094 -0.447 -8.303 176 HG LEU 21 HG LEU 21 -8.433 0.036 -5.326 177 HD11 LEU 21 1HD1 LEU 21 -7.556 1.906 -7.537 178 HD12 LEU 21 2HD1 LEU 21 -6.525 1.188 -6.296 179 HD13 LEU 21 3HD1 LEU 21 -7.778 2.337 -5.837 180 HD21 LEU 21 1HD2 LEU 21 -10.654 0.025 -6.310 181 HD22 LEU 21 2HD2 LEU 21 -10.137 1.158 -7.561 182 HD23 LEU 21 3HD2 LEU 21 -10.183 1.663 -5.871 183 H LEU 22 H LEU 22 -7.838 -4.116 -6.788 184 HA LEU 22 HA LEU 22 -7.055 -4.912 -9.401 185 HB2 LEU 22 2HB LEU 22 -5.751 -5.533 -7.398 186 HB3 LEU 22 1HB LEU 22 -7.098 -6.486 -6.796 187 HG LEU 22 HG LEU 22 -6.849 -8.083 -8.675 188 HD11 LEU 22 1HD1 LEU 22 -4.951 -7.956 -10.221 189 HD12 LEU 22 2HD1 LEU 22 -4.503 -6.382 -9.557 190 HD13 LEU 22 3HD1 LEU 22 -6.039 -6.580 -10.408 191 HD21 LEU 22 1HD2 LEU 22 -4.231 -7.609 -7.218 192 HD22 LEU 22 2HD2 LEU 22 -4.721 -9.107 -8.016 193 HD23 LEU 22 3HD2 LEU 22 -5.612 -8.528 -6.608 194 H GLU 23 H GLU 23 -9.342 -6.362 -7.068 195 HA GLU 23 HA GLU 23 -10.484 -8.346 -8.643 196 HB2 GLU 23 2HB GLU 23 -11.821 -6.686 -6.458 197 HB3 GLU 23 1HB GLU 23 -12.401 -8.244 -7.047 198 HG2 GLU 23 2HG GLU 23 -10.461 -9.382 -6.153 199 HG3 GLU 23 1HG GLU 23 -9.693 -7.850 -5.737 200 H LEU 24 H LEU 24 -11.450 -4.978 -8.237 201 HA LEU 24 HA LEU 24 -13.842 -5.068 -9.749 202 HB2 LEU 24 2HB LEU 24 -12.115 -2.724 -8.876 203 HB3 LEU 24 1HB LEU 24 -13.693 -2.545 -9.633 204 HG LEU 24 HG LEU 24 -13.176 -3.923 -6.971 205 HD11 LEU 24 1HD1 LEU 24 -12.812 -1.517 -6.806 206 HD12 LEU 24 2HD1 LEU 24 -14.251 -2.011 -5.920 207 HD13 LEU 24 3HD1 LEU 24 -14.413 -1.213 -7.486 208 HD21 LEU 24 1HD2 LEU 24 -15.804 -3.328 -8.362 209 HD22 LEU 24 2HD2 LEU 24 -15.626 -3.959 -6.721 210 HD23 LEU 24 3HD2 LEU 24 -15.086 -4.920 -8.094 211 H ALA 25 H ALA 25 -10.519 -3.940 -10.592 212 HA ALA 25 HA ALA 25 -11.154 -3.041 -13.213 213 HB1 ALA 25 1HB ALA 25 -9.091 -2.364 -12.020 214 HB2 ALA 25 2HB ALA 25 -8.749 -3.007 -13.629 215 HB3 ALA 25 3HB ALA 25 -8.464 -4.002 -12.196 216 H GLN 26 H GLN 26 -10.156 -6.200 -11.955 217 HA GLN 26 HA GLN 26 -9.880 -7.601 -14.404 218 HB2 GLN 26 2HB GLN 26 -10.698 -8.607 -11.641 219 HB3 GLN 26 1HB GLN 26 -10.316 -9.667 -12.997 220 HG2 GLN 26 2HG GLN 26 -8.020 -8.890 -13.039 221 HG3 GLN 26 1HG GLN 26 -8.365 -7.662 -11.821 222 HE21 GLN 26 1HE2 GLN 26 -6.377 -9.776 -11.736 223 HE22 GLN 26 2HE2 GLN 26 -6.732 -10.723 -10.335 224 H ARG 27 H ARG 27 -12.699 -6.966 -12.327 225 HA ARG 27 HA ARG 27 -14.601 -8.331 -14.016 226 HB2 ARG 27 2HB ARG 27 -14.968 -6.320 -11.751 227 HB3 ARG 27 1HB ARG 27 -16.310 -7.140 -12.556 228 HG2 ARG 27 2HG ARG 27 -15.452 -9.319 -11.818 229 HG3 ARG 27 1HG ARG 27 -14.061 -8.540 -11.065 230 HD2 ARG 27 2HD ARG 27 -15.533 -7.419 -9.452 231 HD3 ARG 27 1HD ARG 27 -16.960 -8.117 -10.238 232 HE ARG 27 HE ARG 27 -15.063 -10.107 -9.399 233 HH11 ARG 27 1HH1 ARG 27 -17.719 -8.112 -8.205 234 HH12 ARG 27 2HH1 ARG 27 -18.117 -9.206 -6.918 235 HH21 ARG 27 1HH2 ARG 27 -15.633 -11.544 -7.732 236 HH22 ARG 27 2HH2 ARG 27 -16.933 -11.149 -6.655 237 H GLY 28 H GLY 28 -13.082 -5.233 -14.213 238 HA2 GLY 28 2HA GLY 28 -13.145 -3.844 -16.100 239 HA3 GLY 28 1HA GLY 28 -14.688 -4.542 -16.576 240 H GLU 29 H GLU 29 -14.278 -3.564 -13.316 241 HA GLU 29 HA GLU 29 -16.310 -1.526 -13.511 242 HB2 GLU 29 2HB GLU 29 -14.813 -2.611 -11.091 243 HB3 GLU 29 1HB GLU 29 -16.183 -1.506 -11.032 244 HG2 GLU 29 2HG GLU 29 -16.208 -4.373 -12.025 245 HG3 GLU 29 1HG GLU 29 -16.905 -3.771 -10.518 246 H TRP 30 H TRP 30 -14.824 -0.244 -14.891 247 HA TRP 30 HA TRP 30 -12.432 0.934 -13.969 248 HB2 TRP 30 2HB TRP 30 -14.288 2.155 -16.054 249 HB3 TRP 30 1HB TRP 30 -12.540 2.343 -15.930 250 HD1 TRP 30 HD1 TRP 30 -14.854 0.708 -18.105 251 HE1 TRP 30 HE1 TRP 30 -13.886 -1.385 -19.233 252 HE3 TRP 30 HE3 TRP 30 -10.781 -0.096 -15.063 253 HZ2 TRP 30 HZ2 TRP 30 -11.727 -3.140 -18.903 254 HZ3 TRP 30 HZ3 TRP 30 -9.328 -2.023 -15.553 255 HH2 TRP 30 HH2 TRP 30 -9.796 -3.510 -17.434 256 H ASP 31 H ASP 31 -15.800 2.054 -13.906 257 HA ASP 31 HA ASP 31 -15.410 4.693 -13.023 258 HB2 ASP 31 2HB ASP 31 -17.816 2.899 -12.450 259 HB3 ASP 31 1HB ASP 31 -17.793 4.656 -12.335 260 H LEU 32 H LEU 32 -15.839 1.654 -11.218 261 HA LEU 32 HA LEU 32 -16.041 2.795 -8.634 262 HB2 LEU 32 2HB LEU 32 -15.168 -0.006 -9.434 263 HB3 LEU 32 1HB LEU 32 -15.502 0.495 -7.782 264 HG LEU 32 HG LEU 32 -17.506 0.295 -10.066 265 HD11 LEU 32 1HD1 LEU 32 -17.329 -1.242 -7.463 266 HD12 LEU 32 2HD1 LEU 32 -16.888 -1.845 -9.062 267 HD13 LEU 32 3HD1 LEU 32 -18.563 -1.430 -8.714 268 HD21 LEU 32 1HD2 LEU 32 -19.249 0.953 -8.455 269 HD22 LEU 32 2HD2 LEU 32 -18.093 2.250 -8.734 270 HD23 LEU 32 3HD2 LEU 32 -18.010 1.304 -7.245 271 H LEU 33 H LEU 33 -13.206 1.674 -10.514 272 HA LEU 33 HA LEU 33 -11.227 2.160 -8.549 273 HB2 LEU 33 2HB LEU 33 -11.144 2.035 -11.565 274 HB3 LEU 33 1HB LEU 33 -9.753 2.689 -10.721 275 HG LEU 33 HG LEU 33 -9.626 0.516 -9.410 276 HD11 LEU 33 1HD1 LEU 33 -11.595 -0.481 -11.471 277 HD12 LEU 33 2HD1 LEU 33 -11.886 -0.299 -9.738 278 HD13 LEU 33 3HD1 LEU 33 -10.705 -1.476 -10.311 279 HD21 LEU 33 1HD2 LEU 33 -8.084 0.995 -11.237 280 HD22 LEU 33 2HD2 LEU 33 -9.228 0.332 -12.409 281 HD23 LEU 33 3HD2 LEU 33 -8.491 -0.720 -11.197 282 H LEU 34 H LEU 34 -12.642 4.267 -11.029 283 HA LEU 34 HA LEU 34 -11.029 6.552 -10.510 284 HB2 LEU 34 2HB LEU 34 -13.738 6.320 -11.866 285 HB3 LEU 34 1HB LEU 34 -12.715 7.751 -11.921 286 HG LEU 34 HG LEU 34 -11.999 5.029 -13.080 287 HD11 LEU 34 1HD1 LEU 34 -12.265 6.064 -15.277 288 HD12 LEU 34 2HD1 LEU 34 -12.799 7.569 -14.522 289 HD13 LEU 34 3HD1 LEU 34 -13.774 6.105 -14.363 290 HD21 LEU 34 1HD2 LEU 34 -10.472 7.647 -13.225 291 HD22 LEU 34 2HD2 LEU 34 -10.059 6.158 -14.080 292 HD23 LEU 34 3HD2 LEU 34 -10.000 6.204 -12.321 293 H GLN 35 H GLN 35 -13.987 5.382 -9.046 294 HA GLN 35 HA GLN 35 -14.663 7.833 -7.663 295 HB2 GLN 35 2HB GLN 35 -15.661 4.965 -7.367 296 HB3 GLN 35 1HB GLN 35 -16.254 6.290 -6.363 297 HG2 GLN 35 2HG GLN 35 -17.143 7.437 -8.302 298 HG3 GLN 35 1HG GLN 35 -16.433 6.245 -9.386 299 HE21 GLN 35 1HE2 GLN 35 -17.397 4.226 -9.572 300 HE22 GLN 35 2HE2 GLN 35 -18.994 3.904 -9.008 301 H GLN 36 H GLN 36 -12.913 4.845 -6.908 302 HA GLN 36 HA GLN 36 -12.405 5.587 -4.141 303 HB2 GLN 36 2HB GLN 36 -11.236 3.316 -5.809 304 HB3 GLN 36 1HB GLN 36 -10.998 3.529 -4.078 305 HG2 GLN 36 2HG GLN 36 -13.627 2.947 -5.467 306 HG3 GLN 36 1HG GLN 36 -12.667 1.812 -4.524 307 HE21 GLN 36 1HE2 GLN 36 -14.858 4.501 -4.404 308 HE22 GLN 36 2HE2 GLN 36 -15.180 4.429 -2.707 309 H GLU 37 H GLU 37 -11.011 6.318 -7.157 310 HA GLU 37 HA GLU 37 -8.312 6.254 -6.971 311 HB2 GLU 37 2HB GLU 37 -9.636 7.028 -8.949 312 HB3 GLU 37 1HB GLU 37 -9.884 8.578 -8.150 313 HG2 GLU 37 2HG GLU 37 -7.375 8.878 -8.122 314 HG3 GLU 37 1HG GLU 37 -7.246 7.419 -9.105 315 H VAL 38 H VAL 38 -10.241 9.111 -5.896 316 HA VAL 38 HA VAL 38 -8.081 10.710 -5.086 317 HB VAL 38 HB VAL 38 -10.925 10.810 -3.961 318 HG11 VAL 38 1HG1 VAL 38 -8.790 12.980 -4.074 319 HG12 VAL 38 2HG1 VAL 38 -9.338 12.142 -2.621 320 HG13 VAL 38 3HG1 VAL 38 -10.447 13.198 -3.497 321 HG21 VAL 38 1HG2 VAL 38 -9.787 12.254 -6.389 322 HG22 VAL 38 2HG2 VAL 38 -11.405 12.483 -5.719 323 HG23 VAL 38 3HG2 VAL 38 -10.954 10.930 -6.427 324 H SER 39 H SER 39 -10.014 8.352 -3.257 325 HA SER 39 HA SER 39 -8.892 8.859 -0.691 326 HB2 SER 39 2HB SER 39 -10.352 6.410 -1.761 327 HB3 SER 39 1HB SER 39 -9.898 6.632 -0.067 328 HG SER 39 HG SER 39 -11.209 8.794 -1.094 329 H TYR 40 H TYR 40 -8.123 6.527 -3.264 330 HA TYR 40 HA TYR 40 -6.245 4.982 -1.805 331 HB2 TYR 40 2HB TYR 40 -7.360 4.164 -3.889 332 HB3 TYR 40 1HB TYR 40 -6.462 5.349 -4.834 333 HD1 TYR 40 HD1 TYR 40 -5.573 2.820 -2.188 334 HD2 TYR 40 HD2 TYR 40 -4.718 4.322 -6.102 335 HE1 TYR 40 HE1 TYR 40 -3.775 1.176 -2.420 336 HE2 TYR 40 HE2 TYR 40 -2.907 2.669 -6.330 337 HH TYR 40 HH TYR 40 -1.463 1.291 -4.923 338 H LEU 41 H LEU 41 -5.900 7.654 -4.117 339 HA LEU 41 HA LEU 41 -3.116 7.882 -4.154 340 HB2 LEU 41 2HB LEU 41 -5.164 10.100 -4.569 341 HB3 LEU 41 1HB LEU 41 -3.464 10.195 -5.004 342 HG LEU 41 HG LEU 41 -5.604 8.472 -6.304 343 HD11 LEU 41 1HD1 LEU 41 -5.102 9.748 -8.321 344 HD12 LEU 41 2HD1 LEU 41 -3.894 10.695 -7.447 345 HD13 LEU 41 3HD1 LEU 41 -5.600 10.811 -7.005 346 HD21 LEU 41 1HD2 LEU 41 -2.630 8.420 -6.901 347 HD22 LEU 41 2HD2 LEU 41 -3.891 7.612 -7.837 348 HD23 LEU 41 3HD2 LEU 41 -3.578 7.117 -6.177 349 H GLN 42 H GLN 42 -5.559 9.610 -2.178 350 HA GLN 42 HA GLN 42 -3.803 11.261 -0.734 351 HB2 GLN 42 2HB GLN 42 -6.261 11.626 -0.824 352 HB3 GLN 42 1HB GLN 42 -6.515 10.182 0.153 353 HG2 GLN 42 2HG GLN 42 -5.345 11.229 2.046 354 HG3 GLN 42 1HG GLN 42 -5.020 12.664 1.074 355 HE21 GLN 42 1HE2 GLN 42 -6.471 12.407 3.606 356 HE22 GLN 42 2HE2 GLN 42 -8.043 13.066 3.322 357 H SER 43 H SER 43 -4.994 7.990 -0.039 358 HA SER 43 HA SER 43 -4.032 7.709 2.591 359 HB2 SER 43 2HB SER 43 -4.544 5.588 0.463 360 HB3 SER 43 1HB SER 43 -4.264 5.244 2.174 361 HG SER 43 HG SER 43 -6.235 7.111 1.578 362 H ILE 44 H ILE 44 -2.636 6.457 -0.467 363 HA ILE 44 HA ILE 44 -0.274 5.457 0.727 364 HB ILE 44 HB ILE 44 -1.155 4.560 -1.386 365 HG12 ILE 44 2HG1 ILE 44 1.682 5.643 -1.748 366 HG13 ILE 44 1HG1 ILE 44 1.251 4.193 -0.847 367 HG21 ILE 44 1HG2 ILE 44 -0.927 5.716 -3.518 368 HG22 ILE 44 2HG2 ILE 44 -0.248 7.127 -2.705 369 HG23 ILE 44 3HG2 ILE 44 -1.922 6.659 -2.405 370 HD11 ILE 44 1HD1 ILE 44 0.427 3.159 -2.917 371 HD12 ILE 44 2HD1 ILE 44 2.125 3.616 -3.021 372 HD13 ILE 44 3HD1 ILE 44 0.900 4.599 -3.823 373 H GLU 45 H GLU 45 -1.036 8.622 -0.684 374 HA GLU 45 HA GLU 45 1.509 9.815 -0.672 375 HB2 GLU 45 2HB GLU 45 -1.286 10.935 -0.288 376 HB3 GLU 45 1HB GLU 45 0.109 11.993 -0.118 377 HG2 GLU 45 2HG GLU 45 -0.550 10.395 -2.608 378 HG3 GLU 45 1HG GLU 45 -0.974 12.085 -2.356 379 H THR 46 H THR 46 -0.970 9.749 1.905 380 HA THR 46 HA THR 46 0.546 11.238 3.775 381 HB THR 46 HB THR 46 -1.833 9.437 4.388 382 HG1 THR 46 HG1 THR 46 -2.851 10.817 3.141 383 HG21 THR 46 1HG2 THR 46 -0.691 10.262 6.428 384 HG22 THR 46 2HG2 THR 46 -2.257 11.051 6.231 385 HG23 THR 46 3HG2 THR 46 -0.777 11.917 5.812 386 H VAL 47 H VAL 47 0.457 7.814 3.015 387 HA VAL 47 HA VAL 47 1.832 6.990 5.449 388 HB VAL 47 HB VAL 47 1.370 5.369 2.904 389 HG11 VAL 47 1HG1 VAL 47 2.069 4.452 5.723 390 HG12 VAL 47 2HG1 VAL 47 3.142 4.409 4.323 391 HG13 VAL 47 3HG1 VAL 47 1.704 3.388 4.361 392 HG21 VAL 47 1HG2 VAL 47 -0.767 6.146 3.863 393 HG22 VAL 47 2HG2 VAL 47 -0.322 5.469 5.427 394 HG23 VAL 47 3HG2 VAL 47 -0.586 4.401 4.046 395 H MET 48 H MET 48 2.732 7.744 2.078 396 HA MET 48 HA MET 48 5.445 6.832 2.273 397 HB2 MET 48 2HB MET 48 4.033 8.618 0.266 398 HB3 MET 48 1HB MET 48 5.771 8.360 0.174 399 HG2 MET 48 2HG MET 48 5.337 5.900 0.020 400 HG3 MET 48 1HG MET 48 3.612 6.252 -0.060 401 HE1 MET 48 1HE MET 48 3.348 8.793 -1.906 402 HE2 MET 48 2HE MET 48 2.404 7.323 -2.166 403 HE3 MET 48 3HE MET 48 3.271 8.064 -3.511 404 H GLU 49 H GLU 49 3.883 9.955 2.883 405 HA GLU 49 HA GLU 49 6.364 11.352 3.418 406 HB2 GLU 49 2HB GLU 49 4.969 13.215 4.173 407 HB3 GLU 49 1HB GLU 49 4.345 12.592 2.649 408 HG2 GLU 49 2HG GLU 49 2.542 11.444 3.791 409 HG3 GLU 49 1HG GLU 49 3.210 11.861 5.364 410 H LYS 50 H LYS 50 4.289 9.236 5.176 411 HA LYS 50 HA LYS 50 4.599 10.270 7.812 412 HB2 LYS 50 2HB LYS 50 2.686 8.833 7.134 413 HB3 LYS 50 1HB LYS 50 3.772 7.473 6.900 414 HG2 LYS 50 2HG LYS 50 2.510 7.309 9.018 415 HG3 LYS 50 1HG LYS 50 4.252 7.394 9.297 416 HD2 LYS 50 2HD LYS 50 3.014 8.788 10.914 417 HD3 LYS 50 1HD LYS 50 4.065 9.771 9.897 418 HE2 LYS 50 2HE LYS 50 2.023 10.301 8.474 419 HE3 LYS 50 1HE LYS 50 1.047 9.481 9.697 420 HZ1 LYS 50 1HZ LYS 50 1.832 11.060 11.339 421 HZ2 LYS 50 2HZ LYS 50 1.107 11.874 10.047 422 HZ3 LYS 50 3HZ LYS 50 2.792 11.838 10.183 423 H GLN 51 H GLN 51 6.129 9.914 9.294 424 HA GLN 51 HA GLN 51 8.483 8.335 8.668 425 HB2 GLN 51 2HB GLN 51 8.596 10.590 9.817 426 HB3 GLN 51 1HB GLN 51 7.853 9.859 11.234 427 HG2 GLN 51 2HG GLN 51 9.770 8.343 11.478 428 HG3 GLN 51 1HG GLN 51 10.503 9.006 10.020 429 HE21 GLN 51 1HE2 GLN 51 9.735 11.801 10.759 430 HE22 GLN 51 2HE2 GLN 51 10.824 12.243 12.023 431 H THR 52 H THR 52 8.799 6.328 9.337 432 HA THR 52 HA THR 52 6.824 4.760 10.645 433 HB THR 52 HB THR 52 9.744 4.048 10.104 434 HG1 THR 52 HG1 THR 52 7.680 4.568 8.393 435 HG21 THR 52 1HG2 THR 52 8.892 1.739 9.903 436 HG22 THR 52 2HG2 THR 52 7.264 2.292 10.297 437 HG23 THR 52 3HG2 THR 52 8.545 2.394 11.506 438 HA PRO 53 HA PRO 53 8.337 5.412 14.944 439 HB2 PRO 53 2HB PRO 53 6.759 2.935 15.562 440 HB3 PRO 53 1HB PRO 53 6.618 4.562 16.258 441 HG2 PRO 53 2HG PRO 53 4.748 3.637 14.590 442 HG3 PRO 53 1HG PRO 53 5.251 5.343 14.543 443 HD2 PRO 53 2HD PRO 53 6.078 3.086 12.713 444 HD3 PRO 53 1HD PRO 53 5.601 4.752 12.302 445 HA PRO 54 HA PRO 54 11.699 2.353 15.192 446 HB2 PRO 54 2HB PRO 54 11.763 2.906 18.135 447 HB3 PRO 54 1HB PRO 54 13.031 3.162 16.918 448 HG2 PRO 54 2HG PRO 54 11.743 5.239 18.009 449 HG3 PRO 54 1HG PRO 54 12.214 5.247 16.292 450 HD2 PRO 54 2HD PRO 54 9.504 4.659 17.496 451 HD3 PRO 54 1HD PRO 54 9.921 5.682 16.096 452 H GLY 55 H GLY 55 9.293 2.343 17.824 453 HA2 GLY 55 2HA GLY 55 9.612 -0.340 18.656 454 HA3 GLY 55 1HA GLY 55 8.253 0.707 19.020 455 H ILE 56 H ILE 56 9.607 -1.458 16.634 456 HA ILE 56 HA ILE 56 6.954 -2.432 15.831 457 HB ILE 56 HB ILE 56 9.091 -1.317 13.974 458 HG12 ILE 56 2HG1 ILE 56 6.059 -1.092 14.122 459 HG13 ILE 56 1HG1 ILE 56 7.243 0.172 14.416 460 HG21 ILE 56 1HG2 ILE 56 8.188 -2.507 12.016 461 HG22 ILE 56 2HG2 ILE 56 7.133 -3.449 13.066 462 HG23 ILE 56 3HG2 ILE 56 8.879 -3.632 13.185 463 HD11 ILE 56 1HD1 ILE 56 6.521 -1.056 11.758 464 HD12 ILE 56 2HD1 ILE 56 7.816 0.116 12.006 465 HD13 ILE 56 3HD1 ILE 56 6.147 0.567 12.337 466 H THR 57 H THR 57 6.946 -4.526 16.276 467 HA THR 57 HA THR 57 9.323 -6.047 16.893 468 HB THR 57 HB THR 57 7.754 -7.852 17.499 469 HG1 THR 57 HG1 THR 57 5.377 -7.068 17.194 470 HG21 THR 57 1HG2 THR 57 7.997 -6.012 19.153 471 HG22 THR 57 2HG2 THR 57 6.380 -6.715 19.203 472 HG23 THR 57 3HG2 THR 57 6.638 -5.162 18.406 473 H ARG 58 H ARG 58 9.162 -8.480 16.001 474 HA ARG 58 HA ARG 58 9.674 -8.459 13.219 475 HB2 ARG 58 2HB ARG 58 10.746 -10.130 14.651 476 HB3 ARG 58 1HB ARG 58 9.186 -10.795 15.120 477 HG2 ARG 58 2HG ARG 58 10.327 -12.246 13.487 478 HG3 ARG 58 1HG ARG 58 8.810 -11.620 12.833 479 HD2 ARG 58 2HD ARG 58 10.187 -9.828 11.653 480 HD3 ARG 58 1HD ARG 58 11.632 -10.719 12.157 481 HE ARG 58 HE ARG 58 9.993 -12.557 10.911 482 HH11 ARG 58 1HH1 ARG 58 11.543 -9.558 9.915 483 HH12 ARG 58 2HH1 ARG 58 11.679 -10.054 8.260 484 HH21 ARG 58 1HH2 ARG 58 10.187 -13.179 8.765 485 HH22 ARG 58 2HH2 ARG 58 10.908 -12.106 7.609 486 H SER 59 H SER 59 6.834 -9.546 15.142 487 HA SER 59 HA SER 59 5.259 -10.600 13.065 488 HB2 SER 59 2HB SER 59 4.307 -9.198 15.605 489 HB3 SER 59 1HB SER 59 3.339 -10.277 14.599 490 HG SER 59 HG SER 59 5.749 -11.301 15.485 491 H ILE 60 H ILE 60 5.505 -7.305 14.336 492 HA ILE 60 HA ILE 60 3.511 -6.102 12.713 493 HB ILE 60 HB ILE 60 5.899 -4.841 14.133 494 HG12 ILE 60 2HG1 ILE 60 2.966 -4.997 14.987 495 HG13 ILE 60 1HG1 ILE 60 4.255 -6.009 15.628 496 HG21 ILE 60 1HG2 ILE 60 3.465 -3.475 12.928 497 HG22 ILE 60 2HG2 ILE 60 5.123 -3.350 12.343 498 HG23 ILE 60 3HG2 ILE 60 4.694 -2.684 13.917 499 HD11 ILE 60 1HD1 ILE 60 4.039 -3.014 15.926 500 HD12 ILE 60 2HD1 ILE 60 5.351 -4.016 16.547 501 HD13 ILE 60 3HD1 ILE 60 3.716 -4.231 17.161 502 H GLN 61 H GLN 61 7.028 -6.510 12.367 503 HA GLN 61 HA GLN 61 7.415 -5.061 9.977 504 HB2 GLN 61 2HB GLN 61 9.272 -5.798 11.463 505 HB3 GLN 61 1HB GLN 61 8.963 -7.475 11.027 506 HG2 GLN 61 2HG GLN 61 9.534 -6.901 8.647 507 HG3 GLN 61 1HG GLN 61 9.962 -5.278 9.189 508 HE21 GLN 61 1HE2 GLN 61 12.102 -5.542 8.483 509 HE22 GLN 61 2HE2 GLN 61 13.234 -6.525 9.334 510 H ASP 62 H ASP 62 6.398 -8.409 10.600 511 HA ASP 62 HA ASP 62 6.521 -9.402 7.944 512 HB2 ASP 62 2HB ASP 62 4.804 -10.305 10.297 513 HB3 ASP 62 1HB ASP 62 4.888 -11.173 8.767 514 H MET 63 H MET 63 3.856 -7.986 9.860 515 HA MET 63 HA MET 63 1.830 -8.254 7.883 516 HB2 MET 63 2HB MET 63 1.990 -6.371 10.273 517 HB3 MET 63 1HB MET 63 0.566 -6.528 9.250 518 HG2 MET 63 2HG MET 63 0.420 -8.923 9.864 519 HG3 MET 63 1HG MET 63 1.789 -8.705 10.955 520 HE1 MET 63 1HE MET 63 0.270 -6.149 13.555 521 HE2 MET 63 2HE MET 63 1.160 -5.739 12.089 522 HE3 MET 63 3HE MET 63 1.704 -7.072 13.109 523 H VAL 64 H VAL 64 3.780 -5.420 8.851 524 HA VAL 64 HA VAL 64 2.789 -3.561 7.020 525 HB VAL 64 HB VAL 64 5.527 -3.697 8.370 526 HG11 VAL 64 1HG1 VAL 64 4.308 -1.378 6.830 527 HG12 VAL 64 2HG1 VAL 64 5.730 -2.306 6.358 528 HG13 VAL 64 3HG1 VAL 64 5.782 -1.289 7.798 529 HG21 VAL 64 1HG2 VAL 64 3.058 -2.040 9.030 530 HG22 VAL 64 2HG2 VAL 64 4.596 -1.972 9.894 531 HG23 VAL 64 3HG2 VAL 64 3.625 -3.447 9.932 532 H ALA 65 H ALA 65 5.811 -5.532 6.751 533 HA ALA 65 HA ALA 65 6.537 -4.752 4.145 534 HB1 ALA 65 1HB ALA 65 8.099 -5.928 5.660 535 HB2 ALA 65 2HB ALA 65 7.995 -6.731 4.093 536 HB3 ALA 65 3HB ALA 65 7.150 -7.405 5.495 537 H GLY 66 H GLY 66 4.560 -7.446 5.302 538 HA2 GLY 66 2HA GLY 66 3.993 -8.793 2.931 539 HA3 GLY 66 1HA GLY 66 2.939 -8.723 4.332 540 H TYR 67 H TYR 67 2.361 -5.997 4.397 541 HA TYR 67 HA TYR 67 0.298 -5.754 2.443 542 HB2 TYR 67 2HB TYR 67 1.335 -3.813 4.541 543 HB3 TYR 67 1HB TYR 67 -0.011 -3.427 3.469 544 HD1 TYR 67 HD1 TYR 67 -1.116 -6.447 3.617 545 HD2 TYR 67 HD2 TYR 67 -0.061 -3.490 6.502 546 HE1 TYR 67 HE1 TYR 67 -2.734 -7.414 5.191 547 HE2 TYR 67 HE2 TYR 67 -1.666 -4.448 8.052 548 HH TYR 67 HH TYR 67 -3.127 -7.480 7.617 549 H ILE 68 H ILE 68 3.507 -4.258 2.825 550 HA ILE 68 HA ILE 68 3.332 -2.241 0.865 551 HB ILE 68 HB ILE 68 5.842 -3.854 1.564 552 HG12 ILE 68 2HG1 ILE 68 4.895 -1.210 2.765 553 HG13 ILE 68 1HG1 ILE 68 4.857 -2.764 3.574 554 HG21 ILE 68 1HG2 ILE 68 6.099 -2.625 -0.549 555 HG22 ILE 68 2HG2 ILE 68 7.106 -1.893 0.698 556 HG23 ILE 68 3HG2 ILE 68 5.586 -1.125 0.230 557 HD11 ILE 68 1HD1 ILE 68 7.337 -1.283 2.716 558 HD12 ILE 68 2HD1 ILE 68 7.305 -2.867 3.497 559 HD13 ILE 68 3HD1 ILE 68 6.711 -1.449 4.358 560 H LYS 69 H LYS 69 4.739 -5.517 0.615 561 HA LYS 69 HA LYS 69 5.176 -5.521 -2.158 562 HB2 LYS 69 2HB LYS 69 6.191 -7.125 -0.493 563 HB3 LYS 69 1HB LYS 69 4.642 -7.951 -0.405 564 HG2 LYS 69 2HG LYS 69 4.847 -8.341 -2.927 565 HG3 LYS 69 1HG LYS 69 6.498 -7.733 -2.796 566 HD2 LYS 69 2HD LYS 69 6.504 -10.172 -2.766 567 HD3 LYS 69 1HD LYS 69 7.030 -9.556 -1.196 568 HE2 LYS 69 2HE LYS 69 5.471 -11.473 -0.982 569 HE3 LYS 69 1HE LYS 69 4.812 -10.011 -0.248 570 HZ1 LYS 69 1HZ LYS 69 3.499 -9.675 -2.294 571 HZ2 LYS 69 2HZ LYS 69 3.123 -11.125 -1.511 572 HZ3 LYS 69 3HZ LYS 69 4.085 -11.139 -2.897 573 H GLN 70 H GLN 70 2.404 -6.567 -0.184 574 HA GLN 70 HA GLN 70 0.872 -7.894 -2.104 575 HB2 GLN 70 2HB GLN 70 0.340 -7.982 0.291 576 HB3 GLN 70 1HB GLN 70 -0.065 -6.270 0.299 577 HG2 GLN 70 2HG GLN 70 -1.982 -6.744 -1.225 578 HG3 GLN 70 1HG GLN 70 -1.582 -8.461 -1.159 579 HE21 GLN 70 1HE2 GLN 70 -3.608 -8.983 -0.262 580 HE22 GLN 70 2HE2 GLN 70 -4.024 -8.588 1.367 581 H THR 71 H THR 71 0.901 -4.398 -1.246 582 HA THR 71 HA THR 71 -1.271 -3.811 -3.068 583 HB THR 71 HB THR 71 -1.173 -2.520 -1.013 584 HG1 THR 71 HG1 THR 71 -1.107 -1.341 -3.497 585 HG21 THR 71 1HG2 THR 71 1.269 -2.427 -0.632 586 HG22 THR 71 2HG2 THR 71 0.502 -0.844 -0.518 587 HG23 THR 71 3HG2 THR 71 1.425 -1.279 -1.964 588 H LEU 72 H LEU 72 2.235 -3.763 -3.103 589 HA LEU 72 HA LEU 72 2.542 -2.367 -5.561 590 HB2 LEU 72 2HB LEU 72 4.364 -4.455 -4.295 591 HB3 LEU 72 1HB LEU 72 4.778 -3.515 -5.721 592 HG LEU 72 HG LEU 72 4.437 -2.516 -2.881 593 HD11 LEU 72 1HD1 LEU 72 6.628 -3.459 -3.406 594 HD12 LEU 72 2HD1 LEU 72 6.725 -1.726 -3.103 595 HD13 LEU 72 3HD1 LEU 72 6.801 -2.338 -4.760 596 HD21 LEU 72 1HD2 LEU 72 3.281 -0.919 -4.253 597 HD22 LEU 72 2HD2 LEU 72 4.637 -0.828 -5.388 598 HD23 LEU 72 3HD2 LEU 72 4.818 -0.228 -3.739 599 H ASP 73 H ASP 73 1.897 -5.754 -4.745 600 HA ASP 73 HA ASP 73 2.240 -6.778 -7.411 601 HB2 ASP 73 2HB ASP 73 0.910 -8.012 -4.955 602 HB3 ASP 73 1HB ASP 73 1.118 -8.864 -6.483 603 H ASN 74 H ASN 74 -0.529 -5.821 -5.424 604 HA ASN 74 HA ASN 74 -2.623 -6.569 -7.154 605 HB2 ASN 74 2HB ASN 74 -2.548 -4.315 -5.091 606 HB3 ASN 74 1HB ASN 74 -4.012 -4.890 -5.883 607 HD21 ASN 74 1HD2 ASN 74 -3.368 -4.807 -3.051 608 HD22 ASN 74 2HD2 ASN 74 -3.504 -6.428 -2.477 609 H GLU 75 H GLU 75 -0.958 -3.434 -6.686 610 HA GLU 75 HA GLU 75 -2.341 -2.188 -8.876 611 HB2 GLU 75 2HB GLU 75 -1.420 -1.025 -6.736 612 HB3 GLU 75 1HB GLU 75 0.130 -1.019 -7.569 613 HG2 GLU 75 2HG GLU 75 -1.140 0.134 -9.516 614 HG3 GLU 75 1HG GLU 75 -2.433 0.394 -8.351 615 H GLN 76 H GLN 76 0.596 -4.060 -8.628 616 HA GLN 76 HA GLN 76 1.880 -3.203 -11.037 617 HB2 GLN 76 2HB GLN 76 3.098 -4.516 -9.360 618 HB3 GLN 76 1HB GLN 76 1.996 -5.869 -9.558 619 HG2 GLN 76 2HG GLN 76 2.853 -6.295 -11.787 620 HG3 GLN 76 1HG GLN 76 3.859 -4.853 -11.718 621 HE21 GLN 76 1HE2 GLN 76 3.471 -7.104 -8.990 622 HE22 GLN 76 2HE2 GLN 76 5.085 -7.707 -9.044 623 H LEU 77 H LEU 77 -0.353 -5.882 -10.269 624 HA LEU 77 HA LEU 77 -0.741 -6.833 -12.893 625 HB2 LEU 77 2HB LEU 77 -2.569 -6.905 -10.468 626 HB3 LEU 77 1HB LEU 77 -2.941 -7.737 -11.972 627 HG LEU 77 HG LEU 77 -0.542 -8.313 -10.186 628 HD11 LEU 77 1HD1 LEU 77 -2.642 -9.029 -9.155 629 HD12 LEU 77 2HD1 LEU 77 -1.663 -10.412 -9.637 630 HD13 LEU 77 3HD1 LEU 77 -3.063 -9.942 -10.609 631 HD21 LEU 77 1HD2 LEU 77 -0.145 -10.248 -11.648 632 HD22 LEU 77 2HD2 LEU 77 -0.014 -8.733 -12.537 633 HD23 LEU 77 3HD2 LEU 77 -1.460 -9.732 -12.709 634 H LEU 78 H LEU 78 -2.393 -4.296 -10.994 635 HA LEU 78 HA LEU 78 -4.270 -3.478 -12.901 636 HB2 LEU 78 2HB LEU 78 -2.848 -1.841 -10.778 637 HB3 LEU 78 1HB LEU 78 -4.140 -1.189 -11.776 638 HG LEU 78 HG LEU 78 -4.367 -3.444 -9.749 639 HD11 LEU 78 1HD1 LEU 78 -5.693 -0.724 -9.820 640 HD12 LEU 78 2HD1 LEU 78 -4.323 -1.174 -8.795 641 HD13 LEU 78 3HD1 LEU 78 -5.885 -1.965 -8.576 642 HD21 LEU 78 1HD2 LEU 78 -5.735 -4.032 -11.656 643 HD22 LEU 78 2HD2 LEU 78 -6.452 -2.420 -11.695 644 HD23 LEU 78 3HD2 LEU 78 -6.771 -3.498 -10.339 645 H LYS 79 H LYS 79 -0.846 -2.459 -12.572 646 HA LYS 79 HA LYS 79 -0.807 -0.528 -14.610 647 HB2 LYS 79 2HB LYS 79 1.394 -2.401 -13.646 648 HB3 LYS 79 1HB LYS 79 1.683 -1.119 -14.823 649 HG2 LYS 79 2HG LYS 79 0.607 -0.660 -12.021 650 HG3 LYS 79 1HG LYS 79 2.309 -0.517 -12.469 651 HD2 LYS 79 2HD LYS 79 1.946 1.411 -13.762 652 HD3 LYS 79 1HD LYS 79 0.228 1.079 -13.981 653 HE2 LYS 79 2HE LYS 79 1.485 1.891 -11.338 654 HE3 LYS 79 1HE LYS 79 0.681 2.999 -12.455 655 HZ1 LYS 79 1HZ LYS 79 -0.808 2.256 -10.701 656 HZ2 LYS 79 2HZ LYS 79 -0.593 0.645 -11.161 657 HZ3 LYS 79 3HZ LYS 79 -1.358 1.725 -12.216 658 H GLY 80 H GLY 80 -0.243 -4.018 -14.725 659 HA2 GLY 80 2HA GLY 80 0.191 -4.281 -17.512 660 HA3 GLY 80 1HA GLY 80 -0.224 -5.557 -16.394 661 H LEU 81 H LEU 81 -2.718 -4.137 -15.617 662 HA LEU 81 HA LEU 81 -4.432 -5.438 -17.568 663 HB2 LEU 81 2HB LEU 81 -4.515 -5.595 -14.989 664 HB3 LEU 81 1HB LEU 81 -5.249 -4.009 -15.009 665 HG LEU 81 HG LEU 81 -6.509 -6.367 -16.463 666 HD11 LEU 81 1HD1 LEU 81 -6.988 -5.575 -13.571 667 HD12 LEU 81 2HD1 LEU 81 -6.204 -7.054 -14.137 668 HD13 LEU 81 3HD1 LEU 81 -7.907 -6.774 -14.488 669 HD21 LEU 81 1HD2 LEU 81 -7.400 -4.156 -17.063 670 HD22 LEU 81 2HD2 LEU 81 -7.726 -3.809 -15.364 671 HD23 LEU 81 3HD2 LEU 81 -8.601 -5.105 -16.187 672 H LEU 82 H LEU 82 -3.740 -2.183 -16.432 673 HA LEU 82 HA LEU 82 -6.097 -1.001 -17.645 674 HB2 LEU 82 2HB LEU 82 -3.816 0.164 -16.000 675 HB3 LEU 82 1HB LEU 82 -5.177 1.114 -16.580 676 HG LEU 82 HG LEU 82 -5.512 -1.299 -14.741 677 HD11 LEU 82 1HD1 LEU 82 -5.797 0.249 -12.870 678 HD12 LEU 82 2HD1 LEU 82 -5.364 1.609 -13.913 679 HD13 LEU 82 3HD1 LEU 82 -4.177 0.352 -13.556 680 HD21 LEU 82 1HD2 LEU 82 -7.713 -0.338 -14.259 681 HD22 LEU 82 2HD2 LEU 82 -7.531 -0.738 -15.968 682 HD23 LEU 82 3HD2 LEU 82 -7.419 0.945 -15.437 683 H GLN 83 H GLN 83 -2.530 -0.866 -18.148 684 HA GLN 83 HA GLN 83 -2.942 -0.003 -20.926 685 HB2 GLN 83 2HB GLN 83 -2.929 2.123 -19.578 686 HB3 GLN 83 1HB GLN 83 -1.328 1.723 -18.969 687 HG2 GLN 83 2HG GLN 83 -1.201 3.420 -20.735 688 HG3 GLN 83 1HG GLN 83 -0.397 1.941 -21.241 689 HE21 GLN 83 1HE2 GLN 83 -1.336 0.687 -22.908 690 HE22 GLN 83 2HE2 GLN 83 -2.550 1.325 -23.956 691 H GLN 84 H GLN 84 -1.427 -2.053 -18.918 692 HA GLN 84 HA GLN 84 0.478 -3.260 -18.759 693 HB2 GLN 84 2HB GLN 84 0.913 -2.428 -21.656 694 HB3 GLN 84 1HB GLN 84 1.817 -3.694 -20.829 695 HG2 GLN 84 2HG GLN 84 -0.232 -5.019 -20.579 696 HG3 GLN 84 1HG GLN 84 -1.173 -3.739 -21.338 697 HE21 GLN 84 1HE2 GLN 84 0.862 -3.185 -23.404 698 HE22 GLN 84 2HE2 GLN 84 0.775 -4.512 -24.502 699 H ARG 85 H ARG 85 0.486 -0.359 -18.110 700 HA ARG 85 HA ARG 85 3.275 0.253 -17.827 701 HB2 ARG 85 2HB ARG 85 2.843 0.674 -20.312 702 HB3 ARG 85 1HB ARG 85 1.694 1.923 -19.852 703 HG2 ARG 85 2HG ARG 85 3.513 3.211 -18.795 704 HG3 ARG 85 1HG ARG 85 4.668 1.948 -19.224 705 HD2 ARG 85 2HD ARG 85 4.324 2.386 -21.603 706 HD3 ARG 85 1HD ARG 85 3.056 3.564 -21.234 707 HE ARG 85 HE ARG 85 4.976 4.727 -19.952 708 HH11 ARG 85 1HH1 ARG 85 5.361 3.101 -23.051 709 HH12 ARG 85 2HH1 ARG 85 6.694 4.097 -23.536 710 HH21 ARG 85 1HH2 ARG 85 6.723 6.001 -20.585 711 HH22 ARG 85 2HH2 ARG 85 7.465 5.744 -22.132 712 H LEU 86 H LEU 86 3.481 2.636 -17.024 713 HA LEU 86 HA LEU 86 1.921 3.112 -14.772 714 HB2 LEU 86 2HB LEU 86 3.655 5.059 -16.335 715 HB3 LEU 86 1HB LEU 86 3.076 5.326 -14.695 716 HG LEU 86 HG LEU 86 5.013 3.133 -15.567 717 HD11 LEU 86 1HD1 LEU 86 5.525 5.621 -13.914 718 HD12 LEU 86 2HD1 LEU 86 6.045 5.350 -15.581 719 HD13 LEU 86 3HD1 LEU 86 6.695 4.351 -14.284 720 HD21 LEU 86 1HD2 LEU 86 3.619 2.345 -13.720 721 HD22 LEU 86 2HD2 LEU 86 3.991 3.796 -12.786 722 HD23 LEU 86 3HD2 LEU 86 5.266 2.636 -13.165 723 H ASP 87 H ASP 87 -0.244 3.227 -15.111 724 HA ASP 87 HA ASP 87 -1.466 5.181 -16.898 725 HB2 ASP 87 2HB ASP 87 -3.568 4.167 -16.192 726 HB3 ASP 87 1HB ASP 87 -2.417 2.883 -16.536 727 H GLU 88 H GLU 88 -3.684 5.910 -15.174 728 HA GLU 88 HA GLU 88 -2.732 8.353 -14.172 729 HB2 GLU 88 2HB GLU 88 -5.059 7.950 -14.979 730 HB3 GLU 88 1HB GLU 88 -5.378 6.977 -13.548 731 HG2 GLU 88 2HG GLU 88 -6.350 9.149 -13.201 732 HG3 GLU 88 1HG GLU 88 -4.957 9.006 -12.131 733 H LEU 89 H LEU 89 -2.989 5.257 -12.558 734 HA LEU 89 HA LEU 89 -3.242 6.145 -9.876 735 HB2 LEU 89 2HB LEU 89 -2.181 3.532 -11.004 736 HB3 LEU 89 1HB LEU 89 -2.457 3.804 -9.288 737 HG LEU 89 HG LEU 89 -4.633 3.928 -11.420 738 HD11 LEU 89 1HD1 LEU 89 -4.094 1.694 -9.439 739 HD12 LEU 89 2HD1 LEU 89 -3.772 1.637 -11.176 740 HD13 LEU 89 3HD1 LEU 89 -5.430 1.781 -10.600 741 HD21 LEU 89 1HD2 LEU 89 -4.857 3.997 -8.390 742 HD22 LEU 89 2HD2 LEU 89 -6.210 3.943 -9.526 743 HD23 LEU 89 3HD2 LEU 89 -5.146 5.347 -9.493 744 H SER 90 H SER 90 -0.530 6.415 -11.923 745 HA SER 90 HA SER 90 1.497 6.341 -9.836 746 HB2 SER 90 2HB SER 90 3.063 7.008 -11.632 747 HB3 SER 90 1HB SER 90 2.063 5.654 -12.158 748 HG SER 90 HG SER 90 1.128 6.890 -13.611 749 H SER 91 H SER 91 -0.875 8.557 -10.659 750 HA SER 91 HA SER 91 0.466 11.065 -10.391 751 HB2 SER 91 2HB SER 91 -1.710 10.901 -11.528 752 HB3 SER 91 1HB SER 91 -2.475 10.329 -10.048 753 HG SER 91 HG SER 91 -2.734 12.328 -9.496 754 H LEU 92 H LEU 92 1.741 10.848 -8.548 755 HA LEU 92 HA LEU 92 0.437 11.185 -5.934 756 HB2 LEU 92 2HB LEU 92 2.498 9.038 -6.625 757 HB3 LEU 92 1HB LEU 92 2.160 9.525 -4.970 758 HG LEU 92 HG LEU 92 0.131 8.289 -6.879 759 HD11 LEU 92 1HD1 LEU 92 1.780 6.635 -6.188 760 HD12 LEU 92 2HD1 LEU 92 0.214 6.300 -5.462 761 HD13 LEU 92 3HD1 LEU 92 1.498 7.027 -4.493 762 HD21 LEU 92 1HD2 LEU 92 -1.334 8.143 -4.920 763 HD22 LEU 92 2HD2 LEU 92 -0.947 9.808 -5.334 764 HD23 LEU 92 3HD2 LEU 92 -0.150 9.035 -3.959 765 H ILE 93 H ILE 93 3.325 10.859 -4.779 766 HA ILE 93 HA ILE 93 4.372 13.381 -4.702 767 HB ILE 93 HB ILE 93 6.197 10.939 -4.993 768 HG12 ILE 93 2HG1 ILE 93 4.896 11.898 -2.397 769 HG13 ILE 93 1HG1 ILE 93 4.395 10.477 -3.307 770 HG21 ILE 93 1HG2 ILE 93 7.742 12.198 -3.515 771 HG22 ILE 93 2HG2 ILE 93 6.609 13.549 -3.475 772 HG23 ILE 93 3HG2 ILE 93 7.385 13.095 -4.993 773 HD11 ILE 93 1HD1 ILE 93 7.071 10.877 -1.967 774 HD12 ILE 93 2HD1 ILE 93 6.622 9.480 -2.952 775 HD13 ILE 93 3HD1 ILE 93 5.763 9.812 -1.446 776 H GLY 94 H GLY 94 5.018 10.936 -7.145 777 HA2 GLY 94 2HA GLY 94 5.172 12.794 -9.285 778 HA3 GLY 94 1HA GLY 94 6.778 12.182 -8.861 779 H GLN 95 H GLN 95 5.387 11.765 -11.296 780 HA GLN 95 HA GLN 95 4.377 9.206 -11.707 781 HB2 GLN 95 2HB GLN 95 5.116 9.429 -14.051 782 HB3 GLN 95 1HB GLN 95 4.433 10.944 -13.490 783 HG2 GLN 95 2HG GLN 95 7.413 10.385 -13.719 784 HG3 GLN 95 1HG GLN 95 6.456 11.208 -14.943 785 HE21 GLN 95 1HE2 GLN 95 8.785 12.125 -13.342 786 HE22 GLN 95 2HE2 GLN 95 8.267 13.587 -12.578 787 H SER 96 H SER 96 5.231 7.227 -11.535 788 HA SER 96 HA SER 96 6.567 5.436 -11.484 789 HB2 SER 96 2HB SER 96 7.818 6.403 -13.406 790 HB3 SER 96 1HB SER 96 8.901 7.207 -12.273 791 HG SER 96 HG SER 96 9.430 4.991 -13.227 792 H THR 97 H THR 97 8.000 8.274 -9.836 793 HA THR 97 HA THR 97 9.993 7.047 -8.365 794 HB THR 97 HB THR 97 9.637 9.566 -8.555 795 HG1 THR 97 HG1 THR 97 10.077 8.603 -5.896 796 HG21 THR 97 1HG2 THR 97 7.759 9.167 -6.181 797 HG22 THR 97 2HG2 THR 97 7.271 9.702 -7.793 798 HG23 THR 97 3HG2 THR 97 8.328 10.716 -6.808 799 H ARG 98 H ARG 98 6.582 7.148 -7.685 800 HA ARG 98 HA ARG 98 6.714 6.565 -4.919 801 HB2 ARG 98 2HB ARG 98 4.185 5.970 -5.323 802 HB3 ARG 98 1HB ARG 98 4.746 7.627 -5.442 803 HG2 ARG 98 2HG ARG 98 3.188 7.228 -7.212 804 HG3 ARG 98 1HG ARG 98 4.785 7.403 -7.932 805 HD2 ARG 98 2HD ARG 98 3.243 5.552 -8.845 806 HD3 ARG 98 1HD ARG 98 4.910 5.110 -8.472 807 HE ARG 98 HE ARG 98 4.167 3.942 -6.555 808 HH11 ARG 98 1HH1 ARG 98 1.442 5.166 -8.411 809 HH12 ARG 98 2HH1 ARG 98 0.310 4.089 -7.661 810 HH21 ARG 98 1HH2 ARG 98 2.659 2.572 -5.574 811 HH22 ARG 98 2HH2 ARG 98 1.004 2.637 -6.067 812 H GLN 99 H GLN 99 6.523 4.426 -7.762 813 HA GLN 99 HA GLN 99 6.022 2.004 -6.326 814 HB2 GLN 99 2HB GLN 99 7.342 2.484 -9.035 815 HB3 GLN 99 1HB GLN 99 6.969 0.881 -8.402 816 HG2 GLN 99 2HG GLN 99 4.554 1.526 -8.324 817 HG3 GLN 99 1HG GLN 99 4.972 3.067 -9.069 818 HE21 GLN 99 1HE2 GLN 99 6.959 1.868 -10.904 819 HE22 GLN 99 2HE2 GLN 99 6.045 1.026 -12.098 820 H LYS 100 H LYS 100 8.948 3.727 -7.345 821 HA LYS 100 HA LYS 100 10.860 1.990 -6.191 822 HB2 LYS 100 2HB LYS 100 11.572 3.615 -7.853 823 HB3 LYS 100 1HB LYS 100 10.978 4.949 -6.883 824 HG2 LYS 100 2HG LYS 100 13.263 5.119 -6.553 825 HG3 LYS 100 1HG LYS 100 12.782 4.197 -5.139 826 HD2 LYS 100 2HD LYS 100 13.943 2.951 -7.658 827 HD3 LYS 100 1HD LYS 100 14.911 3.460 -6.283 828 HE2 LYS 100 2HE LYS 100 14.700 1.238 -5.740 829 HE3 LYS 100 1HE LYS 100 13.216 1.806 -4.980 830 HZ1 LYS 100 1HZ LYS 100 13.461 0.555 -7.669 831 HZ2 LYS 100 2HZ LYS 100 12.021 1.155 -7.026 832 HZ3 LYS 100 3HZ LYS 100 12.793 -0.157 -6.291 833 H SER 101 H SER 101 8.918 4.657 -4.868 834 HA SER 101 HA SER 101 10.376 5.104 -2.494 835 HB2 SER 101 2HB SER 101 7.424 5.604 -3.072 836 HB3 SER 101 1HB SER 101 8.297 6.236 -1.673 837 HG SER 101 HG SER 101 9.760 7.179 -3.327 838 H LEU 102 H LEU 102 7.548 2.992 -3.150 839 HA LEU 102 HA LEU 102 7.453 1.972 -0.449 840 HB2 LEU 102 2HB LEU 102 6.011 1.156 -2.984 841 HB3 LEU 102 1HB LEU 102 5.884 0.201 -1.518 842 HG LEU 102 HG LEU 102 4.996 2.284 -0.340 843 HD11 LEU 102 1HD1 LEU 102 5.797 3.985 -1.895 844 HD12 LEU 102 2HD1 LEU 102 4.052 4.085 -1.679 845 HD13 LEU 102 3HD1 LEU 102 4.719 3.367 -3.149 846 HD21 LEU 102 1HD2 LEU 102 3.330 1.180 -2.623 847 HD22 LEU 102 2HD2 LEU 102 2.711 2.010 -1.192 848 HD23 LEU 102 3HD2 LEU 102 3.522 0.454 -1.024 849 H ASN 103 H ASN 103 8.798 0.757 -3.531 850 HA ASN 103 HA ASN 103 9.586 -1.813 -2.626 851 HB2 ASN 103 2HB ASN 103 9.504 -1.198 -5.023 852 HB3 ASN 103 1HB ASN 103 10.820 -0.057 -4.792 853 HD21 ASN 103 1HD2 ASN 103 10.585 -3.373 -3.484 854 HD22 ASN 103 2HD2 ASN 103 11.942 -3.983 -4.355 855 H ASN 104 H ASN 104 11.197 1.318 -2.554 856 HA ASN 104 HA ASN 104 13.704 0.424 -1.499 857 HB2 ASN 104 2HB ASN 104 13.476 2.541 -2.816 858 HB3 ASN 104 1HB ASN 104 12.510 3.233 -1.520 859 HD21 ASN 104 1HD2 ASN 104 15.715 2.114 -2.420 860 HD22 ASN 104 2HD2 ASN 104 16.569 2.991 -1.200 861 H ALA 105 H ALA 105 10.717 1.802 -0.164 862 HA ALA 105 HA ALA 105 11.471 2.008 2.546 863 HB1 ALA 105 1HB ALA 105 9.443 3.066 1.649 864 HB2 ALA 105 2HB ALA 105 9.046 2.023 3.015 865 HB3 ALA 105 3HB ALA 105 8.720 1.482 1.364 866 H TYR 106 H TYR 106 10.357 -0.713 0.603 867 HA TYR 106 HA TYR 106 9.924 -2.598 2.687 868 HB2 TYR 106 2HB TYR 106 9.159 -2.761 0.209 869 HB3 TYR 106 1HB TYR 106 10.792 -3.298 -0.155 870 HD1 TYR 106 HD1 TYR 106 11.594 -5.365 1.552 871 HD2 TYR 106 HD2 TYR 106 7.574 -4.448 0.454 872 HE1 TYR 106 HE1 TYR 106 10.925 -7.659 2.093 873 HE2 TYR 106 HE2 TYR 106 6.913 -6.732 1.005 874 HH TYR 106 HH TYR 106 8.881 -8.876 2.734 875 H GLY 107 H GLY 107 12.691 -1.985 0.483 876 HA2 GLY 107 2HA GLY 107 14.537 -3.799 1.634 877 HA3 GLY 107 1HA GLY 107 14.947 -2.394 0.669 878 H ARG 108 H ARG 108 13.661 -0.531 2.503 879 HA ARG 108 HA ARG 108 15.776 -0.110 4.411 880 HB2 ARG 108 2HB ARG 108 13.393 1.428 3.438 881 HB3 ARG 108 1HB ARG 108 13.907 1.791 5.076 882 HG2 ARG 108 2HG ARG 108 14.844 3.322 3.350 883 HG3 ARG 108 1HG ARG 108 16.055 2.527 4.352 884 HD2 ARG 108 2HD ARG 108 16.640 1.009 2.548 885 HD3 ARG 108 1HD ARG 108 15.306 1.600 1.557 886 HE ARG 108 HE ARG 108 16.561 3.407 0.948 887 HH11 ARG 108 1HH1 ARG 108 18.196 1.860 3.673 888 HH12 ARG 108 2HH1 ARG 108 19.627 2.831 3.516 889 HH21 ARG 108 1HH2 ARG 108 18.436 4.638 0.743 890 HH22 ARG 108 2HH2 ARG 108 19.759 4.408 1.841 891 H LEU 109 H LEU 109 12.493 -1.390 4.467 892 HA LEU 109 HA LEU 109 12.224 -1.489 7.325 893 HB2 LEU 109 2HB LEU 109 10.276 -1.557 5.764 894 HB3 LEU 109 1HB LEU 109 10.788 -3.144 5.213 895 HG LEU 109 HG LEU 109 10.353 -4.094 7.461 896 HD11 LEU 109 1HD1 LEU 109 9.240 -2.767 9.219 897 HD12 LEU 109 2HD1 LEU 109 9.450 -1.304 8.252 898 HD13 LEU 109 3HD1 LEU 109 10.861 -2.167 8.871 899 HD21 LEU 109 1HD2 LEU 109 8.001 -2.508 6.399 900 HD22 LEU 109 2HD2 LEU 109 7.918 -3.933 7.442 901 HD23 LEU 109 3HD2 LEU 109 8.552 -4.077 5.805 902 H SER 110 H SER 110 13.456 -3.615 4.829 903 HA SER 110 HA SER 110 14.081 -5.883 6.393 904 HB2 SER 110 2HB SER 110 13.990 -5.949 3.925 905 HB3 SER 110 1HB SER 110 15.333 -4.815 3.819 906 HG SER 110 HG SER 110 16.696 -6.372 4.623 907 H GLY 111 H GLY 111 15.889 -2.869 5.560 908 HA2 GLY 111 2HA GLY 111 18.275 -3.817 6.973 909 HA3 GLY 111 1HA GLY 111 18.115 -2.337 6.053 910 H MET 112 H MET 112 16.531 -0.625 7.178 911 HA MET 112 HA MET 112 17.621 -0.399 9.905 912 HB2 MET 112 2HB MET 112 17.779 1.418 7.897 913 HB3 MET 112 1HB MET 112 16.303 1.991 8.659 914 HG2 MET 112 2HG MET 112 18.980 1.626 10.034 915 HG3 MET 112 1HG MET 112 18.289 3.159 9.517 916 HE1 MET 112 1HE MET 112 15.220 2.896 10.396 917 HE2 MET 112 2HE MET 112 16.231 4.315 10.677 918 HE3 MET 112 3HE MET 112 15.316 3.609 12.008 919 H LEU 113 H LEU 113 14.510 0.768 8.416 920 HA LEU 113 HA LEU 113 12.679 -0.702 9.847 921 HB2 LEU 113 2HB LEU 113 13.945 0.900 11.741 922 HB3 LEU 113 1HB LEU 113 12.569 1.900 11.337 923 HG LEU 113 HG LEU 113 12.145 0.482 13.326 924 HD11 LEU 113 1HD1 LEU 113 9.989 -0.443 12.697 925 HD12 LEU 113 2HD1 LEU 113 10.405 -0.323 10.987 926 HD13 LEU 113 3HD1 LEU 113 10.231 1.138 11.961 927 HD21 LEU 113 1HD2 LEU 113 13.573 -1.430 12.746 928 HD22 LEU 113 2HD2 LEU 113 12.461 -1.888 11.453 929 HD23 LEU 113 3HD2 LEU 113 11.935 -1.952 13.136 930 H LEU 114 H LEU 114 12.774 0.203 7.369 931 HA LEU 114 HA LEU 114 11.387 0.772 5.707 932 HB2 LEU 114 2HB LEU 114 9.559 0.324 7.399 933 HB3 LEU 114 1HB LEU 114 9.488 2.045 7.695 934 HG LEU 114 HG LEU 114 9.092 1.053 4.861 935 HD11 LEU 114 1HD1 LEU 114 7.655 -0.419 6.172 936 HD12 LEU 114 2HD1 LEU 114 6.703 0.709 5.211 937 HD13 LEU 114 3HD1 LEU 114 6.900 0.976 6.947 938 HD21 LEU 114 1HD2 LEU 114 9.163 3.489 5.255 939 HD22 LEU 114 2HD2 LEU 114 7.803 3.356 6.373 940 HD23 LEU 114 3HD2 LEU 114 7.584 2.974 4.662 941 H VAL 115 H VAL 115 12.439 3.138 7.944 942 HA VAL 115 HA VAL 115 12.205 5.359 6.058 943 HB VAL 115 HB VAL 115 13.281 6.672 8.042 944 HG11 VAL 115 1HG1 VAL 115 11.106 6.904 9.215 945 HG12 VAL 115 2HG1 VAL 115 10.505 5.466 8.384 946 HG13 VAL 115 3HG1 VAL 115 10.914 6.914 7.460 947 HG21 VAL 115 1HG2 VAL 115 12.463 4.161 9.573 948 HG22 VAL 115 2HG2 VAL 115 13.005 5.684 10.290 949 HG23 VAL 115 3HG2 VAL 115 14.120 4.721 9.319 950 HA PRO 116 HA PRO 116 16.266 4.681 4.421 951 HB2 PRO 116 2HB PRO 116 16.480 7.622 3.945 952 HB3 PRO 116 1HB PRO 116 16.431 6.288 2.774 953 HG2 PRO 116 2HG PRO 116 14.340 7.916 3.054 954 HG3 PRO 116 1HG PRO 116 14.100 6.175 2.780 955 HD2 PRO 116 2HD PRO 116 13.966 7.699 5.390 956 HD3 PRO 116 1HD PRO 116 12.842 6.479 4.737 957 H ASP 117 H ASP 117 16.995 4.183 6.643 958 HA ASP 117 HA ASP 117 18.667 4.035 8.100 959 HB2 ASP 117 2HB ASP 117 20.059 6.069 6.332 960 HB3 ASP 117 1HB ASP 117 20.857 5.076 7.550 961 H ALA 118 H ALA 118 16.728 6.579 8.178 962 HA ALA 118 HA ALA 118 18.175 8.192 10.175 963 HB1 ALA 118 1HB ALA 118 16.314 9.800 9.922 964 HB2 ALA 118 2HB ALA 118 15.494 8.691 8.819 965 HB3 ALA 118 3HB ALA 118 17.034 9.418 8.356 966 HA PRO 119 HA PRO 119 16.043 6.014 13.512 967 HB2 PRO 119 2HB PRO 119 16.134 7.970 15.492 968 HB3 PRO 119 1HB PRO 119 17.518 6.950 15.049 969 HG2 PRO 119 2HG PRO 119 16.901 9.762 14.195 970 HG3 PRO 119 1HG PRO 119 18.457 9.049 14.678 971 HD2 PRO 119 2HD PRO 119 17.832 9.441 12.074 972 HD3 PRO 119 1HD PRO 119 18.805 8.048 12.595 973 H GLY 120 H GLY 120 13.904 5.668 13.679 974 HA2 GLY 120 2HA GLY 120 11.961 7.421 12.591 975 HA3 GLY 120 1HA GLY 120 11.655 5.893 13.391 976 H ALA 121 H ALA 121 9.760 7.553 13.831 977 HA ALA 121 HA ALA 121 10.068 8.465 16.612 978 HB1 ALA 121 1HB ALA 121 10.523 10.482 15.258 979 HB2 ALA 121 2HB ALA 121 9.001 10.646 16.138 980 HB3 ALA 121 3HB ALA 121 8.988 10.274 14.410 981 H SER 122 H SER 122 8.299 8.038 17.800 982 HA SER 122 HA SER 122 5.966 6.784 16.577 983 HB2 SER 122 2HB SER 122 6.660 7.194 19.519 984 HB3 SER 122 1HB SER 122 5.378 6.163 18.881 985 HG SER 122 HG SER 122 8.154 5.869 18.401 Start of MODEL 4 1 H1 MET 1 1H MET 1 2.126 4.193 21.455 2 H2 MET 1 2H MET 1 2.578 2.833 22.351 3 H3 MET 1 3H MET 1 0.946 3.110 22.011 4 HA MET 1 HA MET 1 3.044 2.575 20.009 5 HB2 MET 1 2HB MET 1 2.590 0.600 21.449 6 HB3 MET 1 1HB MET 1 0.873 0.729 21.104 7 HG2 MET 1 2HG MET 1 1.352 0.250 18.710 8 HG3 MET 1 1HG MET 1 3.053 0.028 19.119 9 HE1 MET 1 1HE MET 1 2.601 -2.318 17.728 10 HE2 MET 1 2HE MET 1 0.854 -2.068 17.664 11 HE3 MET 1 3HE MET 1 1.508 -3.573 18.313 12 H THR 2 H THR 2 0.316 4.349 20.540 13 HA THR 2 HA THR 2 -1.644 3.635 18.723 14 HB THR 2 HB THR 2 -2.279 6.110 18.688 15 HG1 THR 2 HG1 THR 2 -0.594 7.349 19.036 16 HG21 THR 2 1HG2 THR 2 -3.180 4.640 20.440 17 HG22 THR 2 2HG2 THR 2 -2.845 6.245 21.089 18 HG23 THR 2 3HG2 THR 2 -1.744 4.909 21.428 19 H SER 3 H SER 3 1.309 5.550 18.091 20 HA SER 3 HA SER 3 0.620 6.434 15.488 21 HB2 SER 3 2HB SER 3 3.044 6.974 15.253 22 HB3 SER 3 1HB SER 3 2.383 7.559 16.779 23 HG SER 3 HG SER 3 4.499 6.244 16.607 24 H THR 4 H THR 4 2.413 3.595 16.689 25 HA THR 4 HA THR 4 3.139 2.534 14.162 26 HB THR 4 HB THR 4 2.827 1.015 16.791 27 HG1 THR 4 HG1 THR 4 5.370 1.625 16.032 28 HG21 THR 4 1HG2 THR 4 3.012 -0.508 14.837 29 HG22 THR 4 2HG2 THR 4 4.480 -0.562 15.815 30 HG23 THR 4 3HG2 THR 4 4.464 0.348 14.306 31 H VAL 5 H VAL 5 0.399 1.816 16.364 32 HA VAL 5 HA VAL 5 -0.759 -0.325 14.934 33 HB VAL 5 HB VAL 5 -2.175 1.704 16.737 34 HG11 VAL 5 1HG1 VAL 5 -3.809 0.436 15.393 35 HG12 VAL 5 2HG1 VAL 5 -3.900 -0.058 17.084 36 HG13 VAL 5 3HG1 VAL 5 -3.078 -1.087 15.909 37 HG21 VAL 5 1HG2 VAL 5 -0.951 -0.984 17.467 38 HG22 VAL 5 2HG2 VAL 5 -1.848 0.068 18.566 39 HG23 VAL 5 3HG2 VAL 5 -0.303 0.600 17.901 40 H GLU 6 H GLU 6 -1.289 3.154 14.800 41 HA GLU 6 HA GLU 6 -3.448 3.126 12.934 42 HB2 GLU 6 2HB GLU 6 -2.898 4.906 14.712 43 HB3 GLU 6 1HB GLU 6 -1.651 5.493 13.626 44 HG2 GLU 6 2HG GLU 6 -4.522 5.289 12.704 45 HG3 GLU 6 1HG GLU 6 -4.004 6.651 13.686 46 H PHE 7 H PHE 7 0.066 3.438 12.710 47 HA PHE 7 HA PHE 7 0.263 4.094 9.948 48 HB2 PHE 7 2HB PHE 7 2.087 4.392 11.648 49 HB3 PHE 7 1HB PHE 7 2.274 2.648 11.727 50 HD1 PHE 7 HD1 PHE 7 2.311 5.441 9.211 51 HD2 PHE 7 HD2 PHE 7 3.970 1.675 10.411 52 HE1 PHE 7 HE1 PHE 7 3.976 5.593 7.409 53 HE2 PHE 7 HE2 PHE 7 5.620 1.839 8.603 54 HZ PHE 7 HZ PHE 7 5.628 3.793 7.104 55 H ILE 8 H ILE 8 0.221 0.983 11.710 56 HA ILE 8 HA ILE 8 0.542 -0.775 9.502 57 HB ILE 8 HB ILE 8 -0.938 -1.237 12.140 58 HG12 ILE 8 2HG1 ILE 8 1.880 -2.134 11.382 59 HG13 ILE 8 1HG1 ILE 8 1.532 -0.695 12.329 60 HG21 ILE 8 1HG2 ILE 8 -0.720 -3.673 11.693 61 HG22 ILE 8 2HG2 ILE 8 -0.030 -3.318 10.108 62 HG23 ILE 8 3HG2 ILE 8 -1.700 -2.873 10.463 63 HD11 ILE 8 1HD1 ILE 8 0.505 -2.094 14.066 64 HD12 ILE 8 2HD1 ILE 8 2.190 -2.510 13.763 65 HD13 ILE 8 3HD1 ILE 8 0.906 -3.536 13.125 66 H ASN 9 H ASN 9 -2.261 0.779 11.025 67 HA ASN 9 HA ASN 9 -4.286 -0.498 9.506 68 HB2 ASN 9 2HB ASN 9 -4.642 0.722 11.709 69 HB3 ASN 9 1HB ASN 9 -4.476 2.240 10.837 70 HD21 ASN 9 1HD2 ASN 9 -6.168 -0.694 9.717 71 HD22 ASN 9 2HD2 ASN 9 -7.734 0.029 9.674 72 H ARG 10 H ARG 10 -2.287 2.351 8.954 73 HA ARG 10 HA ARG 10 -3.571 3.387 6.651 74 HB2 ARG 10 2HB ARG 10 -0.630 3.477 7.443 75 HB3 ARG 10 1HB ARG 10 -1.316 4.371 6.094 76 HG2 ARG 10 2HG ARG 10 -2.728 5.653 7.639 77 HG3 ARG 10 1HG ARG 10 -2.062 4.750 9.002 78 HD2 ARG 10 2HD ARG 10 0.226 5.611 8.370 79 HD3 ARG 10 1HD ARG 10 -0.552 6.616 7.139 80 HE ARG 10 HE ARG 10 -1.557 6.930 9.842 81 HH11 ARG 10 1HH1 ARG 10 0.720 8.175 7.457 82 HH12 ARG 10 2HH1 ARG 10 0.870 9.708 8.241 83 HH21 ARG 10 1HH2 ARG 10 -1.329 8.928 10.853 84 HH22 ARG 10 2HH2 ARG 10 -0.294 10.139 10.171 85 H TRP 11 H TRP 11 -0.900 1.039 7.073 86 HA TRP 11 HA TRP 11 -0.578 0.393 4.326 87 HB2 TRP 11 2HB TRP 11 0.191 -1.095 6.854 88 HB3 TRP 11 1HB TRP 11 0.510 -1.768 5.256 89 HD1 TRP 11 HD1 TRP 11 2.140 0.320 7.794 90 HE1 TRP 11 HE1 TRP 11 4.195 1.476 6.791 91 HE3 TRP 11 HE3 TRP 11 1.166 -0.347 2.800 92 HZ2 TRP 11 HZ2 TRP 11 5.268 2.081 4.279 93 HZ3 TRP 11 HZ3 TRP 11 2.752 0.591 1.158 94 HH2 TRP 11 HH2 TRP 11 4.765 1.783 1.889 95 H GLN 12 H GLN 12 -2.747 -0.890 6.803 96 HA GLN 12 HA GLN 12 -3.823 -3.077 5.385 97 HB2 GLN 12 2HB GLN 12 -5.121 -1.252 7.465 98 HB3 GLN 12 1HB GLN 12 -5.904 -2.693 6.818 99 HG2 GLN 12 2HG GLN 12 -4.098 -4.094 7.730 100 HG3 GLN 12 1HG GLN 12 -3.298 -2.658 8.367 101 HE21 GLN 12 1HE2 GLN 12 -6.069 -4.788 8.705 102 HE22 GLN 12 2HE2 GLN 12 -6.492 -4.273 10.297 103 H ARG 13 H ARG 13 -4.662 0.374 5.502 104 HA ARG 13 HA ARG 13 -6.951 0.297 3.869 105 HB2 ARG 13 2HB ARG 13 -6.353 2.213 5.351 106 HB3 ARG 13 1HB ARG 13 -5.016 2.609 4.277 107 HG2 ARG 13 2HG ARG 13 -6.827 4.113 3.784 108 HG3 ARG 13 1HG ARG 13 -6.673 2.999 2.427 109 HD2 ARG 13 2HD ARG 13 -8.597 1.682 3.317 110 HD3 ARG 13 1HD ARG 13 -8.749 2.824 4.653 111 HE ARG 13 HE ARG 13 -9.782 3.117 2.024 112 HH11 ARG 13 1HH1 ARG 13 -8.435 5.063 4.627 113 HH12 ARG 13 2HH1 ARG 13 -9.241 6.503 4.119 114 HH21 ARG 13 1HH2 ARG 13 -10.826 5.050 1.413 115 HH22 ARG 13 2HH2 ARG 13 -10.576 6.499 2.325 116 H ILE 14 H ILE 14 -3.503 1.012 3.008 117 HA ILE 14 HA ILE 14 -3.948 1.528 0.253 118 HB ILE 14 HB ILE 14 -1.369 0.429 1.478 119 HG12 ILE 14 2HG1 ILE 14 -2.166 3.354 1.077 120 HG13 ILE 14 1HG1 ILE 14 -2.083 2.526 2.630 121 HG21 ILE 14 1HG2 ILE 14 -1.800 1.987 -1.107 122 HG22 ILE 14 2HG2 ILE 14 -1.429 0.269 -0.988 123 HG23 ILE 14 3HG2 ILE 14 -0.236 1.458 -0.473 124 HD11 ILE 14 1HD1 ILE 14 0.313 2.246 2.391 125 HD12 ILE 14 2HD1 ILE 14 -0.138 3.939 2.216 126 HD13 ILE 14 3HD1 ILE 14 0.269 2.992 0.789 127 H ALA 15 H ALA 15 -2.957 -1.430 1.980 128 HA ALA 15 HA ALA 15 -2.539 -3.161 -0.185 129 HB1 ALA 15 1HB ALA 15 -3.436 -3.863 2.641 130 HB2 ALA 15 2HB ALA 15 -1.766 -3.654 2.104 131 HB3 ALA 15 3HB ALA 15 -2.738 -4.986 1.473 132 H LEU 16 H LEU 16 -5.414 -2.510 1.738 133 HA LEU 16 HA LEU 16 -7.075 -4.528 0.495 134 HB2 LEU 16 2HB LEU 16 -7.791 -2.273 2.407 135 HB3 LEU 16 1HB LEU 16 -8.947 -3.468 1.836 136 HG LEU 16 HG LEU 16 -6.497 -4.045 3.546 137 HD11 LEU 16 1HD1 LEU 16 -8.088 -4.545 5.339 138 HD12 LEU 16 2HD1 LEU 16 -9.432 -4.064 4.300 139 HD13 LEU 16 3HD1 LEU 16 -8.227 -2.874 4.798 140 HD21 LEU 16 1HD2 LEU 16 -7.344 -6.339 3.723 141 HD22 LEU 16 2HD2 LEU 16 -6.963 -5.929 2.055 142 HD23 LEU 16 3HD2 LEU 16 -8.646 -5.964 2.587 143 H LEU 17 H LEU 17 -6.631 -1.027 0.127 144 HA LEU 17 HA LEU 17 -8.855 -0.529 -1.563 145 HB2 LEU 17 2HB LEU 17 -6.241 0.953 -1.160 146 HB3 LEU 17 1HB LEU 17 -7.366 1.464 -2.408 147 HG LEU 17 HG LEU 17 -7.969 1.373 0.575 148 HD11 LEU 17 1HD1 LEU 17 -7.976 3.808 0.480 149 HD12 LEU 17 2HD1 LEU 17 -7.522 3.767 -1.226 150 HD13 LEU 17 3HD1 LEU 17 -6.404 3.167 0.002 151 HD21 LEU 17 1HD2 LEU 17 -9.705 2.336 -1.726 152 HD22 LEU 17 2HD2 LEU 17 -10.077 2.502 -0.007 153 HD23 LEU 17 3HD2 LEU 17 -9.978 0.901 -0.731 154 H SER 18 H SER 18 -5.402 -1.053 -2.332 155 HA SER 18 HA SER 18 -5.677 -1.131 -5.137 156 HB2 SER 18 2HB SER 18 -3.387 -2.147 -5.079 157 HB3 SER 18 1HB SER 18 -3.522 -0.704 -4.074 158 HG SER 18 HG SER 18 -2.982 -1.873 -2.444 159 H GLN 19 H GLN 19 -5.889 -3.669 -2.661 160 HA GLN 19 HA GLN 19 -6.056 -5.972 -4.256 161 HB2 GLN 19 2HB GLN 19 -5.883 -6.018 -1.779 162 HB3 GLN 19 1HB GLN 19 -7.492 -5.329 -1.638 163 HG2 GLN 19 2HG GLN 19 -7.555 -7.715 -1.159 164 HG3 GLN 19 1HG GLN 19 -8.457 -7.373 -2.635 165 HE21 GLN 19 1HE2 GLN 19 -5.518 -8.752 -1.335 166 HE22 GLN 19 2HE2 GLN 19 -5.108 -9.679 -2.737 167 H SER 20 H SER 20 -8.651 -3.850 -3.020 168 HA SER 20 HA SER 20 -10.838 -5.005 -4.352 169 HB2 SER 20 2HB SER 20 -10.468 -2.104 -3.464 170 HB3 SER 20 1HB SER 20 -12.009 -2.842 -3.916 171 HG SER 20 HG SER 20 -10.478 -4.093 -1.944 172 H LEU 21 H LEU 21 -8.544 -2.476 -5.334 173 HA LEU 21 HA LEU 21 -9.937 -1.645 -7.665 174 HB2 LEU 21 2HB LEU 21 -6.993 -1.281 -6.981 175 HB3 LEU 21 1HB LEU 21 -7.829 -0.480 -8.302 176 HG LEU 21 HG LEU 21 -8.153 -0.009 -5.332 177 HD11 LEU 21 1HD1 LEU 21 -7.425 1.886 -7.571 178 HD12 LEU 21 2HD1 LEU 21 -6.325 1.197 -6.376 179 HD13 LEU 21 3HD1 LEU 21 -7.595 2.303 -5.861 180 HD21 LEU 21 1HD2 LEU 21 -9.989 1.016 -7.508 181 HD22 LEU 21 2HD2 LEU 21 -9.976 1.557 -5.831 182 HD23 LEU 21 3HD2 LEU 21 -10.407 -0.104 -6.207 183 H LEU 22 H LEU 22 -7.514 -4.124 -7.015 184 HA LEU 22 HA LEU 22 -6.850 -4.700 -9.736 185 HB2 LEU 22 2HB LEU 22 -5.363 -5.300 -7.840 186 HB3 LEU 22 1HB LEU 22 -6.570 -6.430 -7.249 187 HG LEU 22 HG LEU 22 -6.281 -7.838 -9.273 188 HD11 LEU 22 1HD1 LEU 22 -4.480 -7.412 -10.884 189 HD12 LEU 22 2HD1 LEU 22 -4.138 -5.865 -10.105 190 HD13 LEU 22 3HD1 LEU 22 -5.689 -6.131 -10.905 191 HD21 LEU 22 1HD2 LEU 22 -4.048 -8.716 -8.789 192 HD22 LEU 22 2HD2 LEU 22 -4.914 -8.331 -7.305 193 HD23 LEU 22 3HD2 LEU 22 -3.650 -7.248 -7.889 194 H GLU 23 H GLU 23 -8.970 -6.261 -7.332 195 HA GLU 23 HA GLU 23 -10.121 -8.278 -8.874 196 HB2 GLU 23 2HB GLU 23 -11.343 -6.626 -6.619 197 HB3 GLU 23 1HB GLU 23 -12.060 -8.108 -7.255 198 HG2 GLU 23 2HG GLU 23 -10.112 -9.396 -6.519 199 HG3 GLU 23 1HG GLU 23 -9.331 -7.917 -5.953 200 H LEU 24 H LEU 24 -11.466 -5.068 -8.177 201 HA LEU 24 HA LEU 24 -13.722 -5.213 -9.828 202 HB2 LEU 24 2HB LEU 24 -12.267 -2.776 -8.734 203 HB3 LEU 24 1HB LEU 24 -13.873 -2.734 -9.448 204 HG LEU 24 HG LEU 24 -13.151 -4.294 -6.934 205 HD11 LEU 24 1HD1 LEU 24 -12.947 -1.901 -6.521 206 HD12 LEU 24 2HD1 LEU 24 -14.315 -2.587 -5.652 207 HD13 LEU 24 3HD1 LEU 24 -14.589 -1.638 -7.116 208 HD21 LEU 24 1HD2 LEU 24 -15.027 -5.295 -8.121 209 HD22 LEU 24 2HD2 LEU 24 -15.864 -3.741 -8.176 210 HD23 LEU 24 3HD2 LEU 24 -15.577 -4.543 -6.628 211 H ALA 25 H ALA 25 -10.415 -4.084 -10.513 212 HA ALA 25 HA ALA 25 -10.852 -2.862 -13.024 213 HB1 ALA 25 1HB ALA 25 -8.693 -2.690 -11.838 214 HB2 ALA 25 2HB ALA 25 -8.462 -3.315 -13.473 215 HB3 ALA 25 3HB ALA 25 -8.407 -4.416 -12.094 216 H GLN 26 H GLN 26 -10.023 -6.205 -12.142 217 HA GLN 26 HA GLN 26 -10.102 -7.255 -14.809 218 HB2 GLN 26 2HB GLN 26 -10.139 -8.681 -12.117 219 HB3 GLN 26 1HB GLN 26 -9.868 -9.466 -13.673 220 HG2 GLN 26 2HG GLN 26 -7.809 -8.196 -14.007 221 HG3 GLN 26 1HG GLN 26 -8.089 -7.289 -12.524 222 HE21 GLN 26 1HE2 GLN 26 -5.798 -8.940 -13.284 223 HE22 GLN 26 2HE2 GLN 26 -5.646 -10.135 -12.042 224 H ARG 27 H ARG 27 -12.526 -6.754 -12.353 225 HA ARG 27 HA ARG 27 -14.588 -8.412 -13.552 226 HB2 ARG 27 2HB ARG 27 -14.796 -6.206 -11.449 227 HB3 ARG 27 1HB ARG 27 -16.107 -7.293 -11.899 228 HG2 ARG 27 2HG ARG 27 -14.885 -9.208 -11.001 229 HG3 ARG 27 1HG ARG 27 -13.483 -8.195 -10.663 230 HD2 ARG 27 2HD ARG 27 -15.106 -6.819 -9.154 231 HD3 ARG 27 1HD ARG 27 -16.172 -8.222 -9.272 232 HE ARG 27 HE ARG 27 -13.449 -8.234 -8.115 233 HH11 ARG 27 1HH1 ARG 27 -16.683 -9.617 -8.205 234 HH12 ARG 27 2HH1 ARG 27 -16.371 -10.695 -6.881 235 HH21 ARG 27 1HH2 ARG 27 -13.088 -9.642 -6.376 236 HH22 ARG 27 2HH2 ARG 27 -14.355 -10.704 -5.859 237 H GLY 28 H GLY 28 -13.204 -5.421 -14.350 238 HA2 GLY 28 2HA GLY 28 -13.710 -4.018 -16.116 239 HA3 GLY 28 1HA GLY 28 -15.263 -4.813 -16.323 240 H GLU 29 H GLU 29 -14.754 -3.937 -13.136 241 HA GLU 29 HA GLU 29 -16.676 -1.755 -13.172 242 HB2 GLU 29 2HB GLU 29 -15.239 -3.143 -10.862 243 HB3 GLU 29 1HB GLU 29 -16.564 -2.001 -10.693 244 HG2 GLU 29 2HG GLU 29 -16.755 -4.710 -12.043 245 HG3 GLU 29 1HG GLU 29 -17.257 -4.357 -10.390 246 H TRP 30 H TRP 30 -14.668 -0.731 -14.505 247 HA TRP 30 HA TRP 30 -12.436 0.329 -13.131 248 HB2 TRP 30 2HB TRP 30 -13.753 1.372 -15.675 249 HB3 TRP 30 1HB TRP 30 -12.137 1.795 -15.112 250 HD1 TRP 30 HD1 TRP 30 -13.972 -0.804 -17.133 251 HE1 TRP 30 HE1 TRP 30 -12.318 -2.587 -17.963 252 HE3 TRP 30 HE3 TRP 30 -9.897 0.481 -14.303 253 HZ2 TRP 30 HZ2 TRP 30 -9.652 -3.349 -17.488 254 HZ3 TRP 30 HZ3 TRP 30 -7.835 -0.838 -14.559 255 HH2 TRP 30 HH2 TRP 30 -7.718 -2.708 -16.113 256 H ASP 31 H ASP 31 -15.726 1.491 -13.547 257 HA ASP 31 HA ASP 31 -15.578 4.166 -12.803 258 HB2 ASP 31 2HB ASP 31 -17.751 2.190 -11.946 259 HB3 ASP 31 1HB ASP 31 -17.907 3.943 -11.971 260 H LEU 32 H LEU 32 -15.822 1.273 -10.761 261 HA LEU 32 HA LEU 32 -16.009 2.589 -8.267 262 HB2 LEU 32 2HB LEU 32 -15.029 -0.242 -8.802 263 HB3 LEU 32 1HB LEU 32 -15.613 0.384 -7.267 264 HG LEU 32 HG LEU 32 -17.233 -0.180 -9.776 265 HD11 LEU 32 1HD1 LEU 32 -18.483 -1.722 -8.368 266 HD12 LEU 32 2HD1 LEU 32 -17.475 -1.311 -6.977 267 HD13 LEU 32 3HD1 LEU 32 -16.767 -2.124 -8.376 268 HD21 LEU 32 1HD2 LEU 32 -18.217 1.240 -7.279 269 HD22 LEU 32 2HD2 LEU 32 -19.232 0.657 -8.601 270 HD23 LEU 32 3HD2 LEU 32 -18.059 1.935 -8.895 271 H LEU 33 H LEU 33 -13.241 1.513 -10.197 272 HA LEU 33 HA LEU 33 -11.185 2.037 -8.319 273 HB2 LEU 33 2HB LEU 33 -11.200 1.994 -11.351 274 HB3 LEU 33 1HB LEU 33 -9.769 2.503 -10.476 275 HG LEU 33 HG LEU 33 -9.795 0.240 -9.306 276 HD11 LEU 33 1HD1 LEU 33 -10.977 -1.617 -10.365 277 HD12 LEU 33 2HD1 LEU 33 -11.792 -0.488 -11.453 278 HD13 LEU 33 3HD1 LEU 33 -12.093 -0.417 -9.715 279 HD21 LEU 33 1HD2 LEU 33 -9.350 0.240 -12.306 280 HD22 LEU 33 2HD2 LEU 33 -8.694 -0.930 -11.155 281 HD23 LEU 33 3HD2 LEU 33 -8.193 0.756 -11.074 282 H LEU 34 H LEU 34 -12.774 4.082 -10.766 283 HA LEU 34 HA LEU 34 -11.202 6.410 -10.415 284 HB2 LEU 34 2HB LEU 34 -14.075 6.208 -11.393 285 HB3 LEU 34 1HB LEU 34 -12.998 7.575 -11.657 286 HG LEU 34 HG LEU 34 -12.567 4.775 -12.770 287 HD11 LEU 34 1HD1 LEU 34 -13.143 5.681 -14.954 288 HD12 LEU 34 2HD1 LEU 34 -13.512 7.249 -14.228 289 HD13 LEU 34 3HD1 LEU 34 -14.486 5.832 -13.825 290 HD21 LEU 34 1HD2 LEU 34 -11.002 7.317 -13.318 291 HD22 LEU 34 2HD2 LEU 34 -10.770 5.759 -14.116 292 HD23 LEU 34 3HD2 LEU 34 -10.440 5.918 -12.395 293 H GLN 35 H GLN 35 -14.099 5.285 -8.682 294 HA GLN 35 HA GLN 35 -14.433 7.691 -7.127 295 HB2 GLN 35 2HB GLN 35 -15.574 4.899 -6.854 296 HB3 GLN 35 1HB GLN 35 -15.790 6.079 -5.568 297 HG2 GLN 35 2HG GLN 35 -17.761 6.215 -6.859 298 HG3 GLN 35 1HG GLN 35 -16.817 7.633 -7.305 299 HE21 GLN 35 1HE2 GLN 35 -15.806 7.665 -9.384 300 HE22 GLN 35 2HE2 GLN 35 -16.356 6.634 -10.658 301 H GLN 36 H GLN 36 -12.964 4.522 -6.438 302 HA GLN 36 HA GLN 36 -12.043 5.175 -3.822 303 HB2 GLN 36 2HB GLN 36 -11.173 2.969 -5.724 304 HB3 GLN 36 1HB GLN 36 -10.648 3.082 -4.048 305 HG2 GLN 36 2HG GLN 36 -13.516 2.722 -4.966 306 HG3 GLN 36 1HG GLN 36 -12.463 1.437 -4.375 307 HE21 GLN 36 1HE2 GLN 36 -15.023 2.365 -3.312 308 HE22 GLN 36 2HE2 GLN 36 -14.728 2.822 -1.674 309 H GLU 37 H GLU 37 -10.871 6.021 -6.914 310 HA GLU 37 HA GLU 37 -8.140 6.153 -6.842 311 HB2 GLU 37 2HB GLU 37 -9.478 6.847 -8.780 312 HB3 GLU 37 1HB GLU 37 -10.087 8.241 -7.897 313 HG2 GLU 37 2HG GLU 37 -7.671 9.075 -7.782 314 HG3 GLU 37 1HG GLU 37 -7.266 7.787 -8.917 315 H VAL 38 H VAL 38 -10.357 8.678 -5.616 316 HA VAL 38 HA VAL 38 -8.462 10.563 -4.770 317 HB VAL 38 HB VAL 38 -11.262 10.080 -3.627 318 HG11 VAL 38 1HG1 VAL 38 -9.542 12.590 -3.573 319 HG12 VAL 38 2HG1 VAL 38 -9.954 11.580 -2.186 320 HG13 VAL 38 3HG1 VAL 38 -11.216 12.488 -3.018 321 HG21 VAL 38 1HG2 VAL 38 -11.336 10.346 -6.084 322 HG22 VAL 38 2HG2 VAL 38 -10.420 11.849 -5.966 323 HG23 VAL 38 3HG2 VAL 38 -12.046 11.754 -5.288 324 H SER 39 H SER 39 -10.076 7.961 -2.999 325 HA SER 39 HA SER 39 -8.930 8.382 -0.444 326 HB2 SER 39 2HB SER 39 -10.129 5.856 -1.661 327 HB3 SER 39 1HB SER 39 -9.861 6.146 0.064 328 HG SER 39 HG SER 39 -11.221 8.120 -0.377 329 H TYR 40 H TYR 40 -7.940 6.488 -3.266 330 HA TYR 40 HA TYR 40 -5.989 4.849 -1.986 331 HB2 TYR 40 2HB TYR 40 -7.096 4.202 -4.125 332 HB3 TYR 40 1HB TYR 40 -6.306 5.545 -4.942 333 HD1 TYR 40 HD1 TYR 40 -5.510 2.462 -2.959 334 HD2 TYR 40 HD2 TYR 40 -4.207 5.141 -6.035 335 HE1 TYR 40 HE1 TYR 40 -3.615 0.986 -3.437 336 HE2 TYR 40 HE2 TYR 40 -2.304 3.657 -6.510 337 HH TYR 40 HH TYR 40 -0.978 1.900 -5.355 338 H LEU 41 H LEU 41 -5.820 7.765 -4.001 339 HA LEU 41 HA LEU 41 -3.064 8.245 -4.007 340 HB2 LEU 41 2HB LEU 41 -5.279 10.341 -3.995 341 HB3 LEU 41 1HB LEU 41 -3.624 10.602 -4.523 342 HG LEU 41 HG LEU 41 -5.665 8.828 -5.909 343 HD11 LEU 41 1HD1 LEU 41 -5.717 10.507 -7.660 344 HD12 LEU 41 2HD1 LEU 41 -4.590 11.524 -6.757 345 HD13 LEU 41 3HD1 LEU 41 -6.205 11.198 -6.115 346 HD21 LEU 41 1HD2 LEU 41 -3.423 7.935 -6.248 347 HD22 LEU 41 2HD2 LEU 41 -2.841 9.515 -6.778 348 HD23 LEU 41 3HD2 LEU 41 -4.036 8.639 -7.741 349 H GLN 42 H GLN 42 -5.635 9.494 -1.850 350 HA GLN 42 HA GLN 42 -4.104 11.083 -0.159 351 HB2 GLN 42 2HB GLN 42 -6.588 11.067 -0.191 352 HB3 GLN 42 1HB GLN 42 -6.590 9.478 0.567 353 HG2 GLN 42 2HG GLN 42 -5.447 10.480 2.563 354 HG3 GLN 42 1HG GLN 42 -5.589 12.068 1.808 355 HE21 GLN 42 1HE2 GLN 42 -6.678 11.131 4.333 356 HE22 GLN 42 2HE2 GLN 42 -8.388 11.364 4.247 357 H SER 43 H SER 43 -4.931 7.613 0.224 358 HA SER 43 HA SER 43 -3.734 7.209 2.739 359 HB2 SER 43 2HB SER 43 -4.315 5.222 0.503 360 HB3 SER 43 1HB SER 43 -3.838 4.763 2.142 361 HG SER 43 HG SER 43 -6.169 6.163 1.346 362 H ILE 44 H ILE 44 -2.470 6.341 -0.526 363 HA ILE 44 HA ILE 44 -0.049 5.241 0.390 364 HB ILE 44 HB ILE 44 -1.066 4.753 -1.850 365 HG12 ILE 44 2HG1 ILE 44 1.851 5.647 -1.951 366 HG13 ILE 44 1HG1 ILE 44 1.270 4.088 -1.385 367 HG21 ILE 44 1HG2 ILE 44 0.044 7.440 -2.739 368 HG22 ILE 44 2HG2 ILE 44 -1.663 7.034 -2.554 369 HG23 ILE 44 3HG2 ILE 44 -0.692 6.221 -3.782 370 HD11 ILE 44 1HD1 ILE 44 0.467 3.582 -3.654 371 HD12 ILE 44 2HD1 ILE 44 2.201 3.886 -3.594 372 HD13 ILE 44 3HD1 ILE 44 1.115 5.127 -4.217 373 H GLU 45 H GLU 45 -0.824 8.538 -0.681 374 HA GLU 45 HA GLU 45 1.781 9.636 -0.612 375 HB2 GLU 45 2HB GLU 45 -0.950 10.950 -0.327 376 HB3 GLU 45 1HB GLU 45 0.551 11.867 -0.444 377 HG2 GLU 45 2HG GLU 45 -0.457 9.937 -2.565 378 HG3 GLU 45 1HG GLU 45 -0.705 11.679 -2.605 379 H THR 46 H THR 46 -0.871 9.779 1.814 380 HA THR 46 HA THR 46 0.443 11.244 3.795 381 HB THR 46 HB THR 46 -1.745 9.144 4.184 382 HG1 THR 46 HG1 THR 46 -3.030 10.625 3.404 383 HG21 THR 46 1HG2 THR 46 -2.331 10.373 6.251 384 HG22 THR 46 2HG2 THR 46 -0.949 11.445 6.018 385 HG23 THR 46 3HG2 THR 46 -0.690 9.733 6.360 386 H VAL 47 H VAL 47 0.612 7.784 3.099 387 HA VAL 47 HA VAL 47 2.059 7.100 5.504 388 HB VAL 47 HB VAL 47 1.784 5.539 2.901 389 HG11 VAL 47 1HG1 VAL 47 2.660 4.591 5.659 390 HG12 VAL 47 2HG1 VAL 47 3.692 4.725 4.235 391 HG13 VAL 47 3HG1 VAL 47 2.379 3.549 4.259 392 HG21 VAL 47 1HG2 VAL 47 -0.392 6.032 3.932 393 HG22 VAL 47 2HG2 VAL 47 0.168 5.380 5.469 394 HG23 VAL 47 3HG2 VAL 47 -0.018 4.314 4.076 395 H MET 48 H MET 48 3.011 7.731 2.086 396 HA MET 48 HA MET 48 5.795 7.128 2.559 397 HB2 MET 48 2HB MET 48 4.439 8.433 0.171 398 HB3 MET 48 1HB MET 48 6.146 8.005 0.216 399 HG2 MET 48 2HG MET 48 5.479 5.619 0.587 400 HG3 MET 48 1HG MET 48 3.797 6.099 0.355 401 HE1 MET 48 1HE MET 48 4.163 8.345 -1.999 402 HE2 MET 48 2HE MET 48 2.880 7.134 -1.962 403 HE3 MET 48 3HE MET 48 3.872 7.321 -3.408 404 H GLU 49 H GLU 49 3.913 10.033 2.918 405 HA GLU 49 HA GLU 49 6.163 11.884 2.819 406 HB2 GLU 49 2HB GLU 49 3.309 12.275 3.813 407 HB3 GLU 49 1HB GLU 49 4.499 13.567 3.678 408 HG2 GLU 49 2HG GLU 49 4.544 13.309 1.251 409 HG3 GLU 49 1HG GLU 49 3.421 11.950 1.351 410 H LYS 50 H LYS 50 4.322 10.134 5.251 411 HA LYS 50 HA LYS 50 5.410 11.732 7.456 412 HB2 LYS 50 2HB LYS 50 3.105 9.774 7.254 413 HB3 LYS 50 1HB LYS 50 3.766 10.193 8.828 414 HG2 LYS 50 2HG LYS 50 1.785 11.548 8.316 415 HG3 LYS 50 1HG LYS 50 3.223 12.556 8.475 416 HD2 LYS 50 2HD LYS 50 3.375 12.781 6.036 417 HD3 LYS 50 1HD LYS 50 2.023 11.675 5.819 418 HE2 LYS 50 2HE LYS 50 0.518 13.293 6.892 419 HE3 LYS 50 1HE LYS 50 1.876 14.390 7.154 420 HZ1 LYS 50 1HZ LYS 50 0.589 14.997 5.208 421 HZ2 LYS 50 2HZ LYS 50 0.883 13.491 4.499 422 HZ3 LYS 50 3HZ LYS 50 2.161 14.562 4.770 423 H GLN 51 H GLN 51 6.461 10.819 9.214 424 HA GLN 51 HA GLN 51 8.506 8.995 8.420 425 HB2 GLN 51 2HB GLN 51 8.875 10.989 9.902 426 HB3 GLN 51 1HB GLN 51 7.961 10.188 11.173 427 HG2 GLN 51 2HG GLN 51 9.690 8.325 11.093 428 HG3 GLN 51 1HG GLN 51 10.638 9.347 10.016 429 HE21 GLN 51 1HE2 GLN 51 9.813 11.820 11.570 430 HE22 GLN 51 2HE2 GLN 51 10.768 11.755 13.005 431 H THR 52 H THR 52 8.738 6.896 8.890 432 HA THR 52 HA THR 52 6.713 5.277 10.047 433 HB THR 52 HB THR 52 9.630 4.617 9.413 434 HG1 THR 52 HG1 THR 52 7.393 4.990 7.849 435 HG21 THR 52 1HG2 THR 52 8.629 2.916 10.892 436 HG22 THR 52 2HG2 THR 52 8.843 2.271 9.267 437 HG23 THR 52 3HG2 THR 52 7.244 2.770 9.806 438 HA PRO 53 HA PRO 53 7.831 5.840 14.437 439 HB2 PRO 53 2HB PRO 53 6.635 3.089 14.765 440 HB3 PRO 53 1HB PRO 53 6.249 4.598 15.622 441 HG2 PRO 53 2HG PRO 53 4.582 3.664 13.779 442 HG3 PRO 53 1HG PRO 53 4.905 5.409 13.900 443 HD2 PRO 53 2HD PRO 53 6.003 3.425 11.915 444 HD3 PRO 53 1HD PRO 53 5.431 5.088 11.648 445 HA PRO 54 HA PRO 54 11.622 3.373 14.996 446 HB2 PRO 54 2HB PRO 54 11.347 3.937 17.923 447 HB3 PRO 54 1HB PRO 54 12.648 4.419 16.814 448 HG2 PRO 54 2HG PRO 54 10.928 6.234 17.778 449 HG3 PRO 54 1HG PRO 54 11.527 6.334 16.105 450 HD2 PRO 54 2HD PRO 54 8.882 5.251 17.090 451 HD3 PRO 54 1HD PRO 54 9.208 6.360 15.738 452 H GLY 55 H GLY 55 9.033 3.020 17.405 453 HA2 GLY 55 2HA GLY 55 9.654 0.388 18.270 454 HA3 GLY 55 1HA GLY 55 8.163 1.266 18.562 455 H ILE 56 H ILE 56 9.855 -0.792 16.299 456 HA ILE 56 HA ILE 56 7.288 -1.902 15.318 457 HB ILE 56 HB ILE 56 9.871 -1.513 13.733 458 HG12 ILE 56 2HG1 ILE 56 7.110 -0.308 13.263 459 HG13 ILE 56 1HG1 ILE 56 8.508 0.550 13.909 460 HG21 ILE 56 1HG2 ILE 56 7.333 -2.900 12.803 461 HG22 ILE 56 2HG2 ILE 56 8.868 -3.687 13.154 462 HG23 ILE 56 3HG2 ILE 56 8.748 -2.562 11.805 463 HD11 ILE 56 1HD1 ILE 56 8.261 -0.620 11.140 464 HD12 ILE 56 2HD1 ILE 56 9.694 0.181 11.793 465 HD13 ILE 56 3HD1 ILE 56 8.194 1.081 11.593 466 H THR 57 H THR 57 7.112 -3.987 15.924 467 HA THR 57 HA THR 57 9.393 -5.513 16.925 468 HB THR 57 HB THR 57 7.767 -7.203 17.602 469 HG1 THR 57 HG1 THR 57 5.457 -6.712 17.040 470 HG21 THR 57 1HG2 THR 57 6.226 -5.903 19.043 471 HG22 THR 57 2HG2 THR 57 6.593 -4.439 18.130 472 HG23 THR 57 3HG2 THR 57 7.853 -5.225 19.086 473 H ARG 58 H ARG 58 9.259 -7.968 16.165 474 HA ARG 58 HA ARG 58 9.971 -8.141 13.439 475 HB2 ARG 58 2HB ARG 58 10.787 -9.699 15.218 476 HB3 ARG 58 1HB ARG 58 9.171 -10.377 15.354 477 HG2 ARG 58 2HG ARG 58 10.574 -11.862 14.038 478 HG3 ARG 58 1HG ARG 58 9.318 -11.171 13.006 479 HD2 ARG 58 2HD ARG 58 10.948 -9.527 12.127 480 HD3 ARG 58 1HD ARG 58 12.203 -10.225 13.157 481 HE ARG 58 HE ARG 58 12.173 -12.191 11.845 482 HH11 ARG 58 1HH1 ARG 58 10.144 -9.663 10.475 483 HH12 ARG 58 2HH1 ARG 58 10.096 -10.397 8.907 484 HH21 ARG 58 1HH2 ARG 58 12.029 -13.170 9.807 485 HH22 ARG 58 2HH2 ARG 58 11.164 -12.379 8.532 486 H SER 59 H SER 59 7.045 -9.132 15.231 487 HA SER 59 HA SER 59 5.546 -10.237 13.126 488 HB2 SER 59 2HB SER 59 4.484 -8.821 15.610 489 HB3 SER 59 1HB SER 59 3.621 -10.008 14.627 490 HG SER 59 HG SER 59 5.426 -11.454 15.211 491 H ILE 60 H ILE 60 5.706 -6.903 14.381 492 HA ILE 60 HA ILE 60 3.713 -5.753 12.731 493 HB ILE 60 HB ILE 60 6.094 -4.454 14.125 494 HG12 ILE 60 2HG1 ILE 60 3.130 -4.435 14.860 495 HG13 ILE 60 1HG1 ILE 60 4.330 -5.497 15.587 496 HG21 ILE 60 1HG2 ILE 60 5.455 -3.012 12.238 497 HG22 ILE 60 2HG2 ILE 60 4.970 -2.258 13.755 498 HG23 ILE 60 3HG2 ILE 60 3.765 -3.056 12.745 499 HD11 ILE 60 1HD1 ILE 60 4.297 -2.488 15.768 500 HD12 ILE 60 2HD1 ILE 60 5.505 -3.551 16.491 501 HD13 ILE 60 3HD1 ILE 60 3.830 -3.627 17.026 502 H GLN 61 H GLN 61 7.237 -6.111 12.329 503 HA GLN 61 HA GLN 61 7.586 -4.753 9.900 504 HB2 GLN 61 2HB GLN 61 9.493 -5.497 11.235 505 HB3 GLN 61 1HB GLN 61 9.037 -7.185 11.025 506 HG2 GLN 61 2HG GLN 61 9.440 -6.882 8.534 507 HG3 GLN 61 1HG GLN 61 10.111 -5.295 8.906 508 HE21 GLN 61 1HE2 GLN 61 12.114 -5.946 8.042 509 HE22 GLN 61 2HE2 GLN 61 13.175 -6.994 8.908 510 H ASP 62 H ASP 62 6.634 -8.128 10.567 511 HA ASP 62 HA ASP 62 6.580 -9.015 7.858 512 HB2 ASP 62 2HB ASP 62 5.356 -10.143 10.408 513 HB3 ASP 62 1HB ASP 62 5.162 -10.945 8.850 514 H MET 63 H MET 63 4.070 -7.674 10.001 515 HA MET 63 HA MET 63 1.861 -8.164 8.247 516 HB2 MET 63 2HB MET 63 2.128 -6.180 10.546 517 HB3 MET 63 1HB MET 63 0.626 -6.493 9.684 518 HG2 MET 63 2HG MET 63 0.764 -8.875 10.391 519 HG3 MET 63 1HG MET 63 2.185 -8.480 11.356 520 HE1 MET 63 1HE MET 63 1.314 -5.538 12.492 521 HE2 MET 63 2HE MET 63 2.092 -6.786 13.467 522 HE3 MET 63 3HE MET 63 0.605 -6.030 14.032 523 H VAL 64 H VAL 64 3.883 -5.328 8.867 524 HA VAL 64 HA VAL 64 2.652 -3.545 7.059 525 HB VAL 64 HB VAL 64 5.453 -3.536 8.279 526 HG11 VAL 64 1HG1 VAL 64 4.125 -1.339 6.647 527 HG12 VAL 64 2HG1 VAL 64 5.565 -2.246 6.197 528 HG13 VAL 64 3HG1 VAL 64 5.616 -1.144 7.572 529 HG21 VAL 64 1HG2 VAL 64 2.959 -1.916 8.953 530 HG22 VAL 64 2HG2 VAL 64 4.523 -1.768 9.758 531 HG23 VAL 64 3HG2 VAL 64 3.600 -3.264 9.895 532 H ALA 65 H ALA 65 5.775 -5.362 6.702 533 HA ALA 65 HA ALA 65 6.214 -4.724 3.993 534 HB1 ALA 65 1HB ALA 65 8.014 -5.603 5.456 535 HB2 ALA 65 2HB ALA 65 7.897 -6.495 3.941 536 HB3 ALA 65 3HB ALA 65 7.248 -7.192 5.431 537 H GLY 66 H GLY 66 4.304 -7.277 5.473 538 HA2 GLY 66 2HA GLY 66 3.870 -8.905 3.186 539 HA3 GLY 66 1HA GLY 66 2.854 -8.821 4.618 540 H TYR 67 H TYR 67 2.073 -6.153 4.576 541 HA TYR 67 HA TYR 67 0.073 -6.125 2.509 542 HB2 TYR 67 2HB TYR 67 0.717 -4.261 4.803 543 HB3 TYR 67 1HB TYR 67 -0.495 -3.830 3.596 544 HD1 TYR 67 HD1 TYR 67 -1.265 -7.010 3.345 545 HD2 TYR 67 HD2 TYR 67 -1.113 -4.138 6.512 546 HE1 TYR 67 HE1 TYR 67 -3.007 -8.245 4.535 547 HE2 TYR 67 HE2 TYR 67 -2.851 -5.381 7.679 548 HH TYR 67 HH TYR 67 -3.825 -8.521 6.840 549 H ILE 68 H ILE 68 3.164 -4.483 2.965 550 HA ILE 68 HA ILE 68 2.894 -2.635 0.829 551 HB ILE 68 HB ILE 68 5.531 -3.944 1.662 552 HG12 ILE 68 2HG1 ILE 68 4.309 -1.367 2.753 553 HG13 ILE 68 1HG1 ILE 68 4.453 -2.871 3.638 554 HG21 ILE 68 1HG2 ILE 68 6.558 -1.888 0.695 555 HG22 ILE 68 2HG2 ILE 68 4.956 -1.305 0.235 556 HG23 ILE 68 3HG2 ILE 68 5.615 -2.764 -0.508 557 HD11 ILE 68 1HD1 ILE 68 6.149 -1.272 4.303 558 HD12 ILE 68 2HD1 ILE 68 6.761 -1.198 2.651 559 HD13 ILE 68 3HD1 ILE 68 6.884 -2.700 3.575 560 H LYS 69 H LYS 69 4.239 -5.947 1.037 561 HA LYS 69 HA LYS 69 4.855 -6.483 -1.610 562 HB2 LYS 69 2HB LYS 69 5.487 -8.108 0.044 563 HB3 LYS 69 1HB LYS 69 3.827 -8.302 0.600 564 HG2 LYS 69 2HG LYS 69 3.218 -9.430 -1.475 565 HG3 LYS 69 1HG LYS 69 4.833 -9.162 -2.132 566 HD2 LYS 69 2HD LYS 69 5.817 -10.704 -0.582 567 HD3 LYS 69 1HD LYS 69 4.339 -10.789 0.386 568 HE2 LYS 69 2HE LYS 69 4.765 -12.784 -1.146 569 HE3 LYS 69 1HE LYS 69 3.184 -12.021 -1.312 570 HZ1 LYS 69 1HZ LYS 69 3.915 -10.904 -3.287 571 HZ2 LYS 69 2HZ LYS 69 4.246 -12.556 -3.447 572 HZ3 LYS 69 3HZ LYS 69 5.499 -11.478 -3.094 573 H GLN 70 H GLN 70 1.758 -6.896 0.081 574 HA GLN 70 HA GLN 70 0.322 -8.142 -1.971 575 HB2 GLN 70 2HB GLN 70 -0.374 -8.049 0.443 576 HB3 GLN 70 1HB GLN 70 -0.813 -6.356 0.228 577 HG2 GLN 70 2HG GLN 70 -2.542 -6.971 -1.387 578 HG3 GLN 70 1HG GLN 70 -2.053 -8.665 -1.309 579 HE21 GLN 70 1HE2 GLN 70 -3.997 -9.451 -0.580 580 HE22 GLN 70 2HE2 GLN 70 -4.662 -9.081 0.972 581 H THR 71 H THR 71 0.660 -4.690 -1.107 582 HA THR 71 HA THR 71 -1.106 -3.853 -3.234 583 HB THR 71 HB THR 71 -1.180 -2.573 -1.157 584 HG1 THR 71 HG1 THR 71 -0.275 -1.157 -3.449 585 HG21 THR 71 1HG2 THR 71 0.548 -1.043 -0.439 586 HG22 THR 71 2HG2 THR 71 1.621 -1.579 -1.739 587 HG23 THR 71 3HG2 THR 71 1.181 -2.690 -0.441 588 H LEU 72 H LEU 72 2.309 -4.500 -2.944 589 HA LEU 72 HA LEU 72 3.117 -2.952 -5.257 590 HB2 LEU 72 2HB LEU 72 4.544 -5.276 -3.890 591 HB3 LEU 72 1HB LEU 72 5.216 -4.348 -5.221 592 HG LEU 72 HG LEU 72 4.725 -3.428 -2.381 593 HD11 LEU 72 1HD1 LEU 72 7.266 -3.496 -4.014 594 HD12 LEU 72 2HD1 LEU 72 6.805 -4.625 -2.737 595 HD13 LEU 72 3HD1 LEU 72 7.099 -2.934 -2.345 596 HD21 LEU 72 1HD2 LEU 72 3.921 -1.628 -3.748 597 HD22 LEU 72 2HD2 LEU 72 5.387 -1.651 -4.742 598 HD23 LEU 72 3HD2 LEU 72 5.470 -1.175 -3.042 599 H ASP 73 H ASP 73 1.995 -6.257 -4.668 600 HA ASP 73 HA ASP 73 2.412 -7.241 -7.326 601 HB2 ASP 73 2HB ASP 73 0.562 -8.202 -5.091 602 HB3 ASP 73 1HB ASP 73 0.694 -9.024 -6.641 603 H ASN 74 H ASN 74 -0.429 -5.985 -5.580 604 HA ASN 74 HA ASN 74 -2.295 -5.871 -7.660 605 HB2 ASN 74 2HB ASN 74 -2.007 -3.961 -5.298 606 HB3 ASN 74 1HB ASN 74 -3.444 -4.118 -6.303 607 HD21 ASN 74 1HD2 ASN 74 -3.119 -4.496 -3.416 608 HD22 ASN 74 2HD2 ASN 74 -3.666 -6.098 -3.085 609 H GLU 75 H GLU 75 0.130 -3.518 -6.627 610 HA GLU 75 HA GLU 75 -0.306 -1.326 -8.272 611 HB2 GLU 75 2HB GLU 75 1.267 -1.097 -6.513 612 HB3 GLU 75 1HB GLU 75 2.115 -2.560 -6.942 613 HG2 GLU 75 2HG GLU 75 3.529 -0.645 -7.292 614 HG3 GLU 75 1HG GLU 75 3.165 -1.430 -8.827 615 H GLN 76 H GLN 76 1.993 -4.000 -8.851 616 HA GLN 76 HA GLN 76 2.917 -3.174 -11.355 617 HB2 GLN 76 2HB GLN 76 4.096 -4.800 -9.913 618 HB3 GLN 76 1HB GLN 76 2.808 -5.975 -10.156 619 HG2 GLN 76 2HG GLN 76 3.368 -6.053 -12.578 620 HG3 GLN 76 1HG GLN 76 4.681 -4.914 -12.294 621 HE21 GLN 76 1HE2 GLN 76 3.849 -7.580 -10.107 622 HE22 GLN 76 2HE2 GLN 76 5.289 -8.480 -10.400 623 H LEU 77 H LEU 77 0.346 -5.485 -10.491 624 HA LEU 77 HA LEU 77 -0.223 -6.378 -13.133 625 HB2 LEU 77 2HB LEU 77 -1.869 -6.515 -10.583 626 HB3 LEU 77 1HB LEU 77 -2.285 -7.362 -12.067 627 HG LEU 77 HG LEU 77 0.249 -7.836 -10.444 628 HD11 LEU 77 1HD1 LEU 77 -2.249 -9.538 -10.608 629 HD12 LEU 77 2HD1 LEU 77 -1.706 -8.596 -9.217 630 HD13 LEU 77 3HD1 LEU 77 -0.749 -9.965 -9.775 631 HD21 LEU 77 1HD2 LEU 77 -0.816 -9.344 -12.854 632 HD22 LEU 77 2HD2 LEU 77 0.595 -9.793 -11.892 633 HD23 LEU 77 3HD2 LEU 77 0.605 -8.296 -12.819 634 H LEU 78 H LEU 78 -1.645 -3.833 -11.081 635 HA LEU 78 HA LEU 78 -3.867 -3.253 -12.746 636 HB2 LEU 78 2HB LEU 78 -2.550 -1.783 -10.470 637 HB3 LEU 78 1HB LEU 78 -3.717 -0.917 -11.458 638 HG LEU 78 HG LEU 78 -4.261 -3.445 -9.858 639 HD11 LEU 78 1HD1 LEU 78 -5.327 -0.640 -9.472 640 HD12 LEU 78 2HD1 LEU 78 -4.094 -1.418 -8.470 641 HD13 LEU 78 3HD1 LEU 78 -5.733 -2.069 -8.517 642 HD21 LEU 78 1HD2 LEU 78 -6.107 -1.851 -11.662 643 HD22 LEU 78 2HD2 LEU 78 -6.601 -3.163 -10.591 644 HD23 LEU 78 3HD2 LEU 78 -5.519 -3.495 -11.939 645 H LYS 79 H LYS 79 -0.634 -1.764 -12.517 646 HA LYS 79 HA LYS 79 -1.206 0.260 -14.482 647 HB2 LYS 79 2HB LYS 79 1.582 -0.696 -13.756 648 HB3 LYS 79 1HB LYS 79 1.097 0.884 -14.362 649 HG2 LYS 79 2HG LYS 79 0.737 -0.266 -11.602 650 HG3 LYS 79 1HG LYS 79 1.589 1.197 -12.082 651 HD2 LYS 79 2HD LYS 79 -0.504 2.347 -12.518 652 HD3 LYS 79 1HD LYS 79 -1.428 0.860 -12.284 653 HE2 LYS 79 2HE LYS 79 -1.644 2.211 -10.290 654 HE3 LYS 79 1HE LYS 79 -0.636 0.817 -9.895 655 HZ1 LYS 79 1HZ LYS 79 0.334 2.771 -8.959 656 HZ2 LYS 79 2HZ LYS 79 0.301 3.591 -10.441 657 HZ3 LYS 79 3HZ LYS 79 1.328 2.261 -10.225 658 H GLY 80 H GLY 80 0.169 -2.955 -14.529 659 HA2 GLY 80 2HA GLY 80 0.900 -3.171 -17.236 660 HA3 GLY 80 1HA GLY 80 0.468 -4.495 -16.167 661 H LEU 81 H LEU 81 -2.215 -3.423 -15.622 662 HA LEU 81 HA LEU 81 -3.635 -4.389 -17.960 663 HB2 LEU 81 2HB LEU 81 -4.125 -4.566 -15.268 664 HB3 LEU 81 1HB LEU 81 -5.142 -3.196 -15.652 665 HG LEU 81 HG LEU 81 -5.370 -6.015 -16.775 666 HD11 LEU 81 1HD1 LEU 81 -7.251 -4.451 -14.985 667 HD12 LEU 81 2HD1 LEU 81 -6.231 -5.813 -14.516 668 HD13 LEU 81 3HD1 LEU 81 -7.554 -6.062 -15.651 669 HD21 LEU 81 1HD2 LEU 81 -5.930 -4.513 -18.589 670 HD22 LEU 81 2HD2 LEU 81 -7.003 -3.573 -17.550 671 HD23 LEU 81 3HD2 LEU 81 -7.412 -5.241 -17.976 672 H LEU 82 H LEU 82 -3.082 -1.270 -16.353 673 HA LEU 82 HA LEU 82 -5.190 0.170 -17.662 674 HB2 LEU 82 2HB LEU 82 -2.824 1.048 -15.971 675 HB3 LEU 82 1HB LEU 82 -3.946 2.211 -16.664 676 HG LEU 82 HG LEU 82 -4.720 0.012 -14.699 677 HD11 LEU 82 1HD1 LEU 82 -4.374 2.983 -14.196 678 HD12 LEU 82 2HD1 LEU 82 -3.328 1.690 -13.601 679 HD13 LEU 82 3HD1 LEU 82 -4.995 1.795 -13.042 680 HD21 LEU 82 1HD2 LEU 82 -6.362 2.284 -15.863 681 HD22 LEU 82 2HD2 LEU 82 -6.882 1.195 -14.573 682 HD23 LEU 82 3HD2 LEU 82 -6.563 0.554 -16.184 683 H GLN 83 H GLN 83 -1.640 0.543 -17.880 684 HA GLN 83 HA GLN 83 -1.896 1.411 -20.690 685 HB2 GLN 83 2HB GLN 83 -1.908 3.409 -19.132 686 HB3 GLN 83 1HB GLN 83 -0.321 2.930 -18.553 687 HG2 GLN 83 2HG GLN 83 -0.243 4.795 -20.198 688 HG3 GLN 83 1HG GLN 83 0.674 3.386 -20.718 689 HE21 GLN 83 1HE2 GLN 83 -0.085 2.167 -22.498 690 HE22 GLN 83 2HE2 GLN 83 -1.277 2.788 -23.582 691 H GLN 84 H GLN 84 -0.917 -0.995 -19.100 692 HA GLN 84 HA GLN 84 0.492 -2.695 -19.487 693 HB2 GLN 84 2HB GLN 84 0.414 -2.002 -21.877 694 HB3 GLN 84 1HB GLN 84 1.811 -0.968 -21.613 695 HG2 GLN 84 2HG GLN 84 3.216 -2.913 -21.165 696 HG3 GLN 84 1HG GLN 84 1.822 -3.984 -21.272 697 HE21 GLN 84 1HE2 GLN 84 0.662 -2.649 -23.597 698 HE22 GLN 84 2HE2 GLN 84 1.665 -3.069 -24.933 699 H ARG 85 H ARG 85 1.590 0.312 -18.435 700 HA ARG 85 HA ARG 85 3.978 -0.734 -17.137 701 HB2 ARG 85 2HB ARG 85 3.969 1.567 -19.142 702 HB3 ARG 85 1HB ARG 85 5.234 1.396 -17.930 703 HG2 ARG 85 2HG ARG 85 5.886 -0.775 -18.869 704 HG3 ARG 85 1HG ARG 85 4.578 -0.679 -20.051 705 HD2 ARG 85 2HD ARG 85 5.633 1.294 -21.074 706 HD3 ARG 85 1HD ARG 85 6.925 1.242 -19.873 707 HE ARG 85 HE ARG 85 7.928 -0.437 -21.043 708 HH11 ARG 85 1HH1 ARG 85 4.637 -0.173 -22.285 709 HH12 ARG 85 2HH1 ARG 85 4.921 -1.273 -23.592 710 HH21 ARG 85 1HH2 ARG 85 8.276 -1.849 -22.772 711 HH22 ARG 85 2HH2 ARG 85 6.986 -2.219 -23.870 712 H LEU 86 H LEU 86 4.914 1.139 -15.730 713 HA LEU 86 HA LEU 86 3.083 1.675 -13.710 714 HB2 LEU 86 2HB LEU 86 5.700 3.088 -14.299 715 HB3 LEU 86 1HB LEU 86 4.837 3.186 -12.774 716 HG LEU 86 HG LEU 86 6.017 0.625 -13.926 717 HD11 LEU 86 1HD1 LEU 86 7.127 2.364 -11.702 718 HD12 LEU 86 2HD1 LEU 86 7.790 2.218 -13.331 719 HD13 LEU 86 3HD1 LEU 86 7.781 0.820 -12.261 720 HD21 LEU 86 1HD2 LEU 86 4.101 0.185 -12.466 721 HD22 LEU 86 2HD2 LEU 86 4.819 1.167 -11.185 722 HD23 LEU 86 3HD2 LEU 86 5.598 -0.335 -11.697 723 H ASP 87 H ASP 87 1.264 2.732 -14.276 724 HA ASP 87 HA ASP 87 1.197 5.583 -14.391 725 HB2 ASP 87 2HB ASP 87 1.675 5.036 -16.811 726 HB3 ASP 87 1HB ASP 87 0.218 4.050 -16.859 727 H GLU 88 H GLU 88 -0.424 5.900 -12.989 728 HA GLU 88 HA GLU 88 -2.563 3.880 -12.705 729 HB2 GLU 88 2HB GLU 88 -2.946 4.802 -10.421 730 HB3 GLU 88 1HB GLU 88 -1.344 4.140 -10.638 731 HG2 GLU 88 2HG GLU 88 -1.919 7.101 -10.755 732 HG3 GLU 88 1HG GLU 88 -1.512 6.254 -9.266 733 H LEU 89 H LEU 89 -4.483 5.093 -11.459 734 HA LEU 89 HA LEU 89 -6.071 6.301 -13.361 735 HB2 LEU 89 2HB LEU 89 -6.295 6.553 -10.337 736 HB3 LEU 89 1HB LEU 89 -7.607 6.746 -11.488 737 HG LEU 89 HG LEU 89 -6.110 4.133 -11.035 738 HD11 LEU 89 1HD1 LEU 89 -7.308 4.735 -9.008 739 HD12 LEU 89 2HD1 LEU 89 -8.076 3.361 -9.796 740 HD13 LEU 89 3HD1 LEU 89 -8.802 4.966 -9.925 741 HD21 LEU 89 1HD2 LEU 89 -7.085 4.257 -13.269 742 HD22 LEU 89 2HD2 LEU 89 -8.655 4.704 -12.597 743 HD23 LEU 89 3HD2 LEU 89 -7.982 3.101 -12.288 744 H SER 90 H SER 90 -4.062 7.828 -10.849 745 HA SER 90 HA SER 90 -4.015 10.366 -12.274 746 HB2 SER 90 2HB SER 90 -6.006 10.647 -10.836 747 HB3 SER 90 1HB SER 90 -5.072 10.171 -9.416 748 HG SER 90 HG SER 90 -4.159 12.087 -9.364 749 H SER 91 H SER 91 -2.199 11.581 -11.771 750 HA SER 91 HA SER 91 0.091 10.179 -10.892 751 HB2 SER 91 2HB SER 91 1.251 12.411 -11.219 752 HB3 SER 91 1HB SER 91 0.290 11.893 -12.604 753 HG SER 91 HG SER 91 -1.203 13.371 -10.888 754 H LEU 92 H LEU 92 1.393 10.426 -9.056 755 HA LEU 92 HA LEU 92 -0.039 10.967 -6.599 756 HB2 LEU 92 2HB LEU 92 2.784 9.952 -7.094 757 HB3 LEU 92 1HB LEU 92 2.016 10.036 -5.517 758 HG LEU 92 HG LEU 92 1.153 8.258 -7.834 759 HD11 LEU 92 1HD1 LEU 92 2.441 7.540 -5.183 760 HD12 LEU 92 2HD1 LEU 92 3.209 7.482 -6.773 761 HD13 LEU 92 3HD1 LEU 92 1.872 6.397 -6.404 762 HD21 LEU 92 1HD2 LEU 92 -0.812 8.971 -6.567 763 HD22 LEU 92 2HD2 LEU 92 -0.048 8.479 -5.052 764 HD23 LEU 92 3HD2 LEU 92 -0.472 7.270 -6.268 765 H ILE 93 H ILE 93 3.408 11.789 -7.102 766 HA ILE 93 HA ILE 93 2.948 14.445 -5.875 767 HB ILE 93 HB ILE 93 5.697 13.210 -6.386 768 HG12 ILE 93 2HG1 ILE 93 3.953 12.659 -3.935 769 HG13 ILE 93 1HG1 ILE 93 4.417 11.479 -5.155 770 HG21 ILE 93 1HG2 ILE 93 6.400 14.596 -4.457 771 HG22 ILE 93 2HG2 ILE 93 4.740 15.153 -4.241 772 HG23 ILE 93 3HG2 ILE 93 5.631 15.587 -5.700 773 HD11 ILE 93 1HD1 ILE 93 5.732 11.195 -3.158 774 HD12 ILE 93 2HD1 ILE 93 6.274 12.872 -3.222 775 HD13 ILE 93 3HD1 ILE 93 6.770 11.731 -4.478 776 H GLY 94 H GLY 94 2.085 14.126 -8.551 777 HA2 GLY 94 2HA GLY 94 2.342 14.848 -10.721 778 HA3 GLY 94 1HA GLY 94 3.791 15.733 -10.241 779 H GLN 95 H GLN 95 5.770 14.428 -9.868 780 HA GLN 95 HA GLN 95 6.266 12.138 -11.509 781 HB2 GLN 95 2HB GLN 95 7.738 13.220 -9.059 782 HB3 GLN 95 1HB GLN 95 8.354 11.940 -10.105 783 HG2 GLN 95 2HG GLN 95 8.530 13.479 -11.976 784 HG3 GLN 95 1HG GLN 95 7.741 14.756 -11.046 785 HE21 GLN 95 1HE2 GLN 95 10.668 12.841 -11.347 786 HE22 GLN 95 2HE2 GLN 95 11.679 13.909 -10.442 787 H SER 96 H SER 96 4.776 10.535 -11.101 788 HA SER 96 HA SER 96 3.956 9.673 -8.501 789 HB2 SER 96 2HB SER 96 3.736 8.199 -11.156 790 HB3 SER 96 1HB SER 96 2.792 7.888 -9.699 791 HG SER 96 HG SER 96 1.643 9.125 -11.195 792 H THR 97 H THR 97 5.839 9.230 -7.362 793 HA THR 97 HA THR 97 7.804 7.296 -8.304 794 HB THR 97 HB THR 97 8.554 9.333 -7.108 795 HG1 THR 97 HG1 THR 97 10.090 8.279 -6.004 796 HG21 THR 97 1HG2 THR 97 6.652 9.653 -5.547 797 HG22 THR 97 2HG2 THR 97 8.190 9.617 -4.683 798 HG23 THR 97 3HG2 THR 97 7.138 8.201 -4.660 799 H ARG 98 H ARG 98 5.388 6.072 -8.220 800 HA ARG 98 HA ARG 98 4.467 4.999 -5.804 801 HB2 ARG 98 2HB ARG 98 3.022 3.591 -7.114 802 HB3 ARG 98 1HB ARG 98 3.133 5.135 -7.940 803 HG2 ARG 98 2HG ARG 98 4.691 2.664 -8.750 804 HG3 ARG 98 1HG ARG 98 3.118 3.080 -9.412 805 HD2 ARG 98 2HD ARG 98 5.432 5.005 -9.615 806 HD3 ARG 98 1HD ARG 98 5.258 3.664 -10.752 807 HE ARG 98 HE ARG 98 2.861 5.189 -10.493 808 HH11 ARG 98 1HH1 ARG 98 6.006 5.185 -12.085 809 HH12 ARG 98 2HH1 ARG 98 5.458 6.149 -13.410 810 HH21 ARG 98 1HH2 ARG 98 2.171 6.395 -12.265 811 HH22 ARG 98 2HH2 ARG 98 3.294 6.830 -13.506 812 H GLN 99 H GLN 99 6.582 3.531 -8.287 813 HA GLN 99 HA GLN 99 6.894 1.027 -6.934 814 HB2 GLN 99 2HB GLN 99 7.046 1.157 -9.388 815 HB3 GLN 99 1HB GLN 99 8.400 2.277 -9.275 816 HG2 GLN 99 2HG GLN 99 9.729 0.447 -8.154 817 HG3 GLN 99 1HG GLN 99 8.393 -0.653 -8.476 818 HE21 GLN 99 1HE2 GLN 99 7.982 -1.289 -10.627 819 HE22 GLN 99 2HE2 GLN 99 9.165 -1.090 -11.871 820 H LYS 100 H LYS 100 8.937 3.906 -7.497 821 HA LYS 100 HA LYS 100 11.314 2.902 -6.374 822 HB2 LYS 100 2HB LYS 100 10.495 5.834 -6.528 823 HB3 LYS 100 1HB LYS 100 12.140 5.213 -6.406 824 HG2 LYS 100 2HG LYS 100 10.253 4.839 -8.750 825 HG3 LYS 100 1HG LYS 100 11.618 5.955 -8.691 826 HD2 LYS 100 2HD LYS 100 13.204 4.115 -8.634 827 HD3 LYS 100 1HD LYS 100 11.910 2.930 -8.421 828 HE2 LYS 100 2HE LYS 100 11.061 3.439 -10.673 829 HE3 LYS 100 1HE LYS 100 12.324 4.655 -10.886 830 HZ1 LYS 100 1HZ LYS 100 13.983 2.948 -10.751 831 HZ2 LYS 100 2HZ LYS 100 12.852 2.519 -11.935 832 HZ3 LYS 100 3HZ LYS 100 12.818 1.770 -10.419 833 H SER 101 H SER 101 8.884 5.115 -4.958 834 HA SER 101 HA SER 101 10.190 5.292 -2.429 835 HB2 SER 101 2HB SER 101 8.836 7.146 -3.309 836 HB3 SER 101 1HB SER 101 7.385 6.147 -3.254 837 HG SER 101 HG SER 101 7.175 6.759 -1.278 838 H LEU 102 H LEU 102 7.290 3.405 -3.562 839 HA LEU 102 HA LEU 102 6.622 2.582 -0.880 840 HB2 LEU 102 2HB LEU 102 5.170 2.654 -3.183 841 HB3 LEU 102 1HB LEU 102 5.590 0.954 -3.182 842 HG LEU 102 HG LEU 102 4.544 0.742 -0.894 843 HD11 LEU 102 1HD1 LEU 102 4.791 3.023 -0.110 844 HD12 LEU 102 2HD1 LEU 102 3.089 2.572 -0.082 845 HD13 LEU 102 3HD1 LEU 102 3.702 3.621 -1.367 846 HD21 LEU 102 1HD2 LEU 102 3.251 0.145 -2.899 847 HD22 LEU 102 2HD2 LEU 102 2.675 1.807 -3.042 848 HD23 LEU 102 3HD2 LEU 102 2.209 0.824 -1.651 849 H ASN 103 H ASN 103 8.412 1.075 -3.563 850 HA ASN 103 HA ASN 103 8.903 -1.400 -2.152 851 HB2 ASN 103 2HB ASN 103 8.863 -1.187 -4.691 852 HB3 ASN 103 1HB ASN 103 10.424 -0.379 -4.589 853 HD21 ASN 103 1HD2 ASN 103 11.580 -1.974 -5.677 854 HD22 ASN 103 2HD2 ASN 103 11.815 -3.566 -5.055 855 H ASN 104 H ASN 104 10.542 1.729 -2.407 856 HA ASN 104 HA ASN 104 13.007 1.015 -1.160 857 HB2 ASN 104 2HB ASN 104 12.701 3.192 -2.303 858 HB3 ASN 104 1HB ASN 104 11.523 3.681 -1.091 859 HD21 ASN 104 1HD2 ASN 104 12.724 5.501 -0.514 860 HD22 ASN 104 2HD2 ASN 104 14.211 5.400 0.365 861 H ALA 105 H ALA 105 9.834 1.994 0.090 862 HA ALA 105 HA ALA 105 10.397 2.053 2.847 863 HB1 ALA 105 1HB ALA 105 7.789 1.303 1.476 864 HB2 ALA 105 2HB ALA 105 8.298 2.942 1.888 865 HB3 ALA 105 3HB ALA 105 7.968 1.770 3.167 866 H TYR 106 H TYR 106 9.182 -0.556 0.738 867 HA TYR 106 HA TYR 106 9.057 -2.677 2.536 868 HB2 TYR 106 2HB TYR 106 8.254 -2.624 0.117 869 HB3 TYR 106 1HB TYR 106 9.915 -2.878 -0.385 870 HD1 TYR 106 HD1 TYR 106 11.049 -5.092 0.862 871 HD2 TYR 106 HD2 TYR 106 6.885 -4.530 0.135 872 HE1 TYR 106 HE1 TYR 106 10.716 -7.502 0.930 873 HE2 TYR 106 HE2 TYR 106 6.570 -6.944 0.230 874 HH TYR 106 HH TYR 106 7.974 -9.010 -0.207 875 H GLY 107 H GLY 107 11.822 -1.684 0.489 876 HA2 GLY 107 2HA GLY 107 13.527 -3.855 1.171 877 HA3 GLY 107 1HA GLY 107 13.992 -2.393 0.319 878 H ARG 108 H ARG 108 13.291 -0.525 2.320 879 HA ARG 108 HA ARG 108 15.588 -0.583 4.024 880 HB2 ARG 108 2HB ARG 108 14.620 1.518 3.103 881 HB3 ARG 108 1HB ARG 108 13.157 1.269 4.047 882 HG2 ARG 108 2HG ARG 108 14.388 1.604 6.132 883 HG3 ARG 108 1HG ARG 108 15.917 1.681 5.253 884 HD2 ARG 108 2HD ARG 108 15.141 3.930 5.895 885 HD3 ARG 108 1HD ARG 108 15.203 3.752 4.141 886 HE ARG 108 HE ARG 108 12.741 3.771 5.790 887 HH11 ARG 108 1HH1 ARG 108 14.261 4.203 2.646 888 HH12 ARG 108 2HH1 ARG 108 12.821 4.823 1.902 889 HH21 ARG 108 1HH2 ARG 108 10.882 4.639 4.808 890 HH22 ARG 108 2HH2 ARG 108 10.912 5.068 3.130 891 H LEU 109 H LEU 109 12.139 -1.346 4.408 892 HA LEU 109 HA LEU 109 12.104 -1.737 7.226 893 HB2 LEU 109 2HB LEU 109 10.062 -1.452 5.888 894 HB3 LEU 109 1HB LEU 109 10.360 -2.978 5.079 895 HG LEU 109 HG LEU 109 9.990 -4.203 7.203 896 HD11 LEU 109 1HD1 LEU 109 9.119 -3.091 9.211 897 HD12 LEU 109 2HD1 LEU 109 9.373 -1.512 8.459 898 HD13 LEU 109 3HD1 LEU 109 10.752 -2.549 8.831 899 HD21 LEU 109 1HD2 LEU 109 8.114 -3.779 5.697 900 HD22 LEU 109 2HD2 LEU 109 7.740 -2.291 6.570 901 HD23 LEU 109 3HD2 LEU 109 7.599 -3.856 7.378 902 H SER 110 H SER 110 12.639 -3.922 4.505 903 HA SER 110 HA SER 110 12.881 -6.308 6.014 904 HB2 SER 110 2HB SER 110 12.281 -6.218 3.579 905 HB3 SER 110 1HB SER 110 13.926 -5.700 3.210 906 HG SER 110 HG SER 110 13.383 -8.092 4.626 907 H GLY 111 H GLY 111 15.174 -3.802 4.963 908 HA2 GLY 111 2HA GLY 111 17.533 -5.368 5.616 909 HA3 GLY 111 1HA GLY 111 17.486 -3.713 5.038 910 H MET 112 H MET 112 16.450 -2.094 6.800 911 HA MET 112 HA MET 112 17.950 -2.601 9.286 912 HB2 MET 112 2HB MET 112 17.976 -0.333 7.809 913 HB3 MET 112 1HB MET 112 16.604 0.063 8.831 914 HG2 MET 112 2HG MET 112 19.442 -0.529 9.710 915 HG3 MET 112 1HG MET 112 18.589 1.005 9.828 916 HE1 MET 112 1HE MET 112 15.835 0.485 11.139 917 HE2 MET 112 2HE MET 112 16.971 1.641 11.839 918 HE3 MET 112 3HE MET 112 16.196 0.433 12.866 919 H LEU 113 H LEU 113 14.823 -0.995 8.535 920 HA LEU 113 HA LEU 113 12.931 -2.561 9.703 921 HB2 LEU 113 2HB LEU 113 14.401 -2.203 11.845 922 HB3 LEU 113 1HB LEU 113 13.739 -0.582 11.868 923 HG LEU 113 HG LEU 113 11.449 -1.516 12.114 924 HD11 LEU 113 1HD1 LEU 113 12.793 -4.235 12.182 925 HD12 LEU 113 2HD1 LEU 113 11.710 -3.620 10.928 926 HD13 LEU 113 3HD1 LEU 113 11.099 -3.905 12.554 927 HD21 LEU 113 1HD2 LEU 113 13.376 -2.574 14.208 928 HD22 LEU 113 2HD2 LEU 113 11.646 -2.291 14.419 929 HD23 LEU 113 3HD2 LEU 113 12.726 -0.932 14.125 930 H LEU 114 H LEU 114 13.406 -0.414 7.758 931 HA LEU 114 HA LEU 114 12.295 1.156 6.603 932 HB2 LEU 114 2HB LEU 114 10.231 0.016 8.104 933 HB3 LEU 114 1HB LEU 114 10.048 1.717 8.441 934 HG LEU 114 HG LEU 114 9.987 0.451 5.680 935 HD11 LEU 114 1HD1 LEU 114 7.685 1.534 7.328 936 HD12 LEU 114 2HD1 LEU 114 8.015 -0.165 6.981 937 HD13 LEU 114 3HD1 LEU 114 7.582 0.929 5.669 938 HD21 LEU 114 1HD2 LEU 114 9.217 2.637 4.859 939 HD22 LEU 114 2HD2 LEU 114 10.838 2.729 5.538 940 HD23 LEU 114 3HD2 LEU 114 9.462 3.333 6.464 941 H VAL 115 H VAL 115 13.588 1.586 9.575 942 HA VAL 115 HA VAL 115 13.397 4.524 9.573 943 HB VAL 115 HB VAL 115 14.432 2.716 11.814 944 HG11 VAL 115 1HG1 VAL 115 13.586 5.636 11.845 945 HG12 VAL 115 2HG1 VAL 115 15.248 5.044 11.883 946 HG13 VAL 115 3HG1 VAL 115 14.162 4.714 13.235 947 HG21 VAL 115 1HG2 VAL 115 12.045 2.189 11.432 948 HG22 VAL 115 2HG2 VAL 115 11.632 3.899 11.572 949 HG23 VAL 115 3HG2 VAL 115 12.264 3.027 12.971 950 HA PRO 116 HA PRO 116 17.683 4.038 8.063 951 HB2 PRO 116 2HB PRO 116 18.271 6.694 7.675 952 HB3 PRO 116 1HB PRO 116 17.245 5.772 6.560 953 HG2 PRO 116 2HG PRO 116 16.435 7.703 8.705 954 HG3 PRO 116 1HG PRO 116 15.758 7.483 7.076 955 HD2 PRO 116 2HD PRO 116 14.602 6.443 9.363 956 HD3 PRO 116 1HD PRO 116 14.377 5.747 7.744 957 H ASP 117 H ASP 117 18.776 3.249 9.819 958 HA ASP 117 HA ASP 117 20.175 5.171 11.564 959 HB2 ASP 117 2HB ASP 117 18.512 2.823 12.564 960 HB3 ASP 117 1HB ASP 117 19.873 3.425 13.506 961 H ALA 118 H ALA 118 21.378 4.298 9.486 962 HA ALA 118 HA ALA 118 23.301 3.455 8.723 963 HB1 ALA 118 1HB ALA 118 23.803 2.376 11.514 964 HB2 ALA 118 2HB ALA 118 24.273 3.970 10.929 965 HB3 ALA 118 3HB ALA 118 25.007 2.526 10.227 966 HA PRO 119 HA PRO 119 22.383 -0.954 7.811 967 HB2 PRO 119 2HB PRO 119 24.202 -1.353 5.829 968 HB3 PRO 119 1HB PRO 119 22.769 -0.336 5.555 969 HG2 PRO 119 2HG PRO 119 25.590 0.514 6.151 970 HG3 PRO 119 1HG PRO 119 24.444 1.183 4.968 971 HD2 PRO 119 2HD PRO 119 24.890 2.296 7.464 972 HD3 PRO 119 1HD PRO 119 23.383 2.505 6.549 973 H GLY 120 H GLY 120 24.211 -2.878 7.357 974 HA2 GLY 120 2HA GLY 120 26.312 -2.714 9.440 975 HA3 GLY 120 1HA GLY 120 25.109 -4.001 9.504 976 H ALA 121 H ALA 121 27.669 -4.701 9.414 977 HA ALA 121 HA ALA 121 28.840 -5.164 6.887 978 HB1 ALA 121 1HB ALA 121 30.104 -5.338 8.998 979 HB2 ALA 121 2HB ALA 121 30.248 -6.819 8.053 980 HB3 ALA 121 3HB ALA 121 29.173 -6.768 9.453 981 H SER 122 H SER 122 26.487 -6.987 8.776 982 HA SER 122 HA SER 122 25.840 -8.664 6.423 983 HB2 SER 122 2HB SER 122 25.971 -9.598 9.338 984 HB3 SER 122 1HB SER 122 25.385 -10.568 7.986 985 HG SER 122 HG SER 122 28.008 -9.561 8.375 Start of MODEL 5 1 H1 MET 1 1H MET 1 2.186 4.137 20.950 2 H2 MET 1 2H MET 1 2.466 3.001 22.169 3 H3 MET 1 3H MET 1 0.928 3.668 21.974 4 HA MET 1 HA MET 1 2.339 1.967 20.035 5 HB2 MET 1 2HB MET 1 1.598 0.698 22.025 6 HB3 MET 1 1HB MET 1 -0.042 1.299 21.818 7 HG2 MET 1 2HG MET 1 0.274 -1.046 21.021 8 HG3 MET 1 1HG MET 1 -0.305 0.048 19.761 9 HE1 MET 1 1HE MET 1 0.366 -1.750 17.896 10 HE2 MET 1 2HE MET 1 1.006 -2.863 19.110 11 HE3 MET 1 3HE MET 1 1.990 -2.413 17.717 12 H THR 2 H THR 2 -0.326 4.180 20.659 13 HA THR 2 HA THR 2 -2.162 3.411 18.709 14 HB THR 2 HB THR 2 -2.963 5.815 18.701 15 HG1 THR 2 HG1 THR 2 -1.907 7.319 19.889 16 HG21 THR 2 1HG2 THR 2 -3.709 5.849 21.047 17 HG22 THR 2 2HG2 THR 2 -2.500 4.637 21.470 18 HG23 THR 2 3HG2 THR 2 -3.825 4.214 20.384 19 H SER 3 H SER 3 0.664 5.575 18.360 20 HA SER 3 HA SER 3 0.304 6.428 15.720 21 HB2 SER 3 2HB SER 3 2.966 5.846 17.085 22 HB3 SER 3 1HB SER 3 2.687 6.978 15.760 23 HG SER 3 HG SER 3 1.963 8.408 17.130 24 H THR 4 H THR 4 1.905 3.511 16.988 25 HA THR 4 HA THR 4 2.746 2.431 14.502 26 HB THR 4 HB THR 4 2.267 0.975 17.143 27 HG1 THR 4 HG1 THR 4 4.848 1.380 16.563 28 HG21 THR 4 1HG2 THR 4 3.930 0.166 14.721 29 HG22 THR 4 2HG2 THR 4 2.448 -0.626 15.265 30 HG23 THR 4 3HG2 THR 4 3.903 -0.684 16.264 31 H VAL 5 H VAL 5 -0.200 1.966 16.473 32 HA VAL 5 HA VAL 5 -1.330 -0.177 15.001 33 HB VAL 5 HB VAL 5 -2.758 1.944 16.684 34 HG11 VAL 5 1HG1 VAL 5 -4.652 0.337 16.827 35 HG12 VAL 5 2HG1 VAL 5 -3.826 -0.734 15.694 36 HG13 VAL 5 3HG1 VAL 5 -4.367 0.859 15.163 37 HG21 VAL 5 1HG2 VAL 5 -1.116 0.643 17.987 38 HG22 VAL 5 2HG2 VAL 5 -1.861 -0.861 17.447 39 HG23 VAL 5 3HG2 VAL 5 -2.764 0.249 18.483 40 H GLU 6 H GLU 6 -1.604 3.348 14.719 41 HA GLU 6 HA GLU 6 -3.499 3.371 12.584 42 HB2 GLU 6 2HB GLU 6 -1.557 5.535 13.506 43 HB3 GLU 6 1HB GLU 6 -2.866 5.780 12.355 44 HG2 GLU 6 2HG GLU 6 -3.162 5.030 15.272 45 HG3 GLU 6 1HG GLU 6 -3.488 6.607 14.559 46 H PHE 7 H PHE 7 0.047 3.363 12.757 47 HA PHE 7 HA PHE 7 0.559 3.960 10.019 48 HB2 PHE 7 2HB PHE 7 2.226 4.154 11.915 49 HB3 PHE 7 1HB PHE 7 2.334 2.399 11.956 50 HD1 PHE 7 HD1 PHE 7 2.795 5.328 9.654 51 HD2 PHE 7 HD2 PHE 7 3.970 1.314 10.598 52 HE1 PHE 7 HE1 PHE 7 4.574 5.445 7.957 53 HE2 PHE 7 HE2 PHE 7 5.740 1.446 8.898 54 HZ PHE 7 HZ PHE 7 6.044 3.504 7.579 55 H ILE 8 H ILE 8 0.353 0.869 11.808 56 HA ILE 8 HA ILE 8 0.644 -0.920 9.641 57 HB ILE 8 HB ILE 8 -0.873 -1.293 12.271 58 HG12 ILE 8 2HG1 ILE 8 1.935 -2.231 11.516 59 HG13 ILE 8 1HG1 ILE 8 1.586 -0.827 12.516 60 HG21 ILE 8 1HG2 ILE 8 -0.016 -3.439 10.289 61 HG22 ILE 8 2HG2 ILE 8 -1.675 -2.934 10.611 62 HG23 ILE 8 3HG2 ILE 8 -0.737 -3.736 11.872 63 HD11 ILE 8 1HD1 ILE 8 0.926 -3.688 13.195 64 HD12 ILE 8 2HD1 ILE 8 0.553 -2.279 14.189 65 HD13 ILE 8 3HD1 ILE 8 2.230 -2.715 13.873 66 H ASN 9 H ASN 9 -2.168 0.703 11.084 67 HA ASN 9 HA ASN 9 -4.235 -0.463 9.562 68 HB2 ASN 9 2HB ASN 9 -4.799 0.753 11.568 69 HB3 ASN 9 1HB ASN 9 -4.017 2.217 10.989 70 HD21 ASN 9 1HD2 ASN 9 -6.827 0.134 10.610 71 HD22 ASN 9 2HD2 ASN 9 -7.825 1.322 9.848 72 H ARG 10 H ARG 10 -2.066 2.219 8.899 73 HA ARG 10 HA ARG 10 -3.311 3.148 6.512 74 HB2 ARG 10 2HB ARG 10 -0.495 3.422 7.613 75 HB3 ARG 10 1HB ARG 10 -0.973 4.126 6.078 76 HG2 ARG 10 2HG ARG 10 -2.661 5.504 7.198 77 HG3 ARG 10 1HG ARG 10 -2.237 4.780 8.748 78 HD2 ARG 10 2HD ARG 10 0.096 5.687 8.459 79 HD3 ARG 10 1HD ARG 10 -0.469 6.526 7.008 80 HE ARG 10 HE ARG 10 -1.992 7.795 8.422 81 HH11 ARG 10 1HH1 ARG 10 0.613 6.130 10.106 82 HH12 ARG 10 2HH1 ARG 10 0.546 7.172 11.488 83 HH21 ARG 10 1HH2 ARG 10 -2.076 9.141 10.232 84 HH22 ARG 10 2HH2 ARG 10 -0.984 8.887 11.561 85 H TRP 11 H TRP 11 -0.707 0.784 7.177 86 HA TRP 11 HA TRP 11 -0.305 0.068 4.440 87 HB2 TRP 11 2HB TRP 11 0.440 -1.334 7.029 88 HB3 TRP 11 1HB TRP 11 0.808 -2.028 5.447 89 HD1 TRP 11 HD1 TRP 11 2.417 0.068 7.964 90 HE1 TRP 11 HE1 TRP 11 4.381 1.369 6.944 91 HE3 TRP 11 HE3 TRP 11 1.334 -0.496 2.983 92 HZ2 TRP 11 HZ2 TRP 11 5.345 2.092 4.414 93 HZ3 TRP 11 HZ3 TRP 11 2.823 0.562 1.329 94 HH2 TRP 11 HH2 TRP 11 4.790 1.832 2.040 95 H GLN 12 H GLN 12 -2.525 -1.126 6.909 96 HA GLN 12 HA GLN 12 -3.599 -3.339 5.515 97 HB2 GLN 12 2HB GLN 12 -4.960 -1.464 7.513 98 HB3 GLN 12 1HB GLN 12 -5.657 -2.973 6.931 99 HG2 GLN 12 2HG GLN 12 -3.847 -4.239 7.989 100 HG3 GLN 12 1HG GLN 12 -3.099 -2.742 8.537 101 HE21 GLN 12 1HE2 GLN 12 -5.818 -4.901 8.966 102 HE22 GLN 12 2HE2 GLN 12 -6.299 -4.293 10.508 103 H ARG 13 H ARG 13 -4.280 0.125 5.541 104 HA ARG 13 HA ARG 13 -6.632 0.132 3.992 105 HB2 ARG 13 2HB ARG 13 -5.820 2.021 5.457 106 HB3 ARG 13 1HB ARG 13 -4.573 2.365 4.263 107 HG2 ARG 13 2HG ARG 13 -6.404 3.926 3.970 108 HG3 ARG 13 1HG ARG 13 -6.357 2.839 2.578 109 HD2 ARG 13 2HD ARG 13 -8.227 1.546 3.469 110 HD3 ARG 13 1HD ARG 13 -8.230 2.492 4.960 111 HE ARG 13 HE ARG 13 -9.366 3.216 2.404 112 HH11 ARG 13 1HH1 ARG 13 -8.191 4.523 5.461 113 HH12 ARG 13 2HH1 ARG 13 -9.112 5.986 5.315 114 HH21 ARG 13 1HH2 ARG 13 -10.560 5.136 2.250 115 HH22 ARG 13 2HH2 ARG 13 -10.451 6.332 3.500 116 H ILE 14 H ILE 14 -3.218 0.728 3.076 117 HA ILE 14 HA ILE 14 -3.643 1.193 0.312 118 HB ILE 14 HB ILE 14 -1.128 0.194 1.746 119 HG12 ILE 14 2HG1 ILE 14 -1.922 3.040 0.960 120 HG13 ILE 14 1HG1 ILE 14 -1.937 2.394 2.597 121 HG21 ILE 14 1HG2 ILE 14 -1.348 1.470 -1.003 122 HG22 ILE 14 2HG2 ILE 14 -1.004 -0.229 -0.685 123 HG23 ILE 14 3HG2 ILE 14 0.151 1.009 -0.192 124 HD11 ILE 14 1HD1 ILE 14 0.471 2.138 2.553 125 HD12 ILE 14 2HD1 ILE 14 0.010 3.792 2.163 126 HD13 ILE 14 3HD1 ILE 14 0.526 2.703 0.880 127 H ALA 15 H ALA 15 -2.798 -1.747 2.142 128 HA ALA 15 HA ALA 15 -2.402 -3.565 0.037 129 HB1 ALA 15 1HB ALA 15 -2.721 -5.305 1.754 130 HB2 ALA 15 2HB ALA 15 -3.403 -4.102 2.856 131 HB3 ALA 15 3HB ALA 15 -1.716 -3.989 2.358 132 H LEU 16 H LEU 16 -5.280 -2.860 1.942 133 HA LEU 16 HA LEU 16 -6.920 -4.898 0.718 134 HB2 LEU 16 2HB LEU 16 -7.601 -2.685 2.686 135 HB3 LEU 16 1HB LEU 16 -8.762 -3.884 2.143 136 HG LEU 16 HG LEU 16 -6.210 -4.529 3.677 137 HD11 LEU 16 1HD1 LEU 16 -7.779 -3.283 5.085 138 HD12 LEU 16 2HD1 LEU 16 -7.651 -4.959 5.613 139 HD13 LEU 16 3HD1 LEU 16 -9.066 -4.429 4.699 140 HD21 LEU 16 1HD2 LEU 16 -7.159 -6.782 3.926 141 HD22 LEU 16 2HD2 LEU 16 -6.919 -6.377 2.228 142 HD23 LEU 16 3HD2 LEU 16 -8.540 -6.326 2.926 143 H LEU 17 H LEU 17 -6.626 -1.364 0.421 144 HA LEU 17 HA LEU 17 -8.859 -0.992 -1.298 145 HB2 LEU 17 2HB LEU 17 -6.363 0.690 -0.904 146 HB3 LEU 17 1HB LEU 17 -7.605 1.131 -2.061 147 HG LEU 17 HG LEU 17 -7.942 0.970 0.959 148 HD11 LEU 17 1HD1 LEU 17 -6.675 2.931 0.196 149 HD12 LEU 17 2HD1 LEU 17 -8.250 3.399 0.831 150 HD13 LEU 17 3HD1 LEU 17 -7.980 3.363 -0.915 151 HD21 LEU 17 1HD2 LEU 17 -10.010 0.238 -0.151 152 HD22 LEU 17 2HD2 LEU 17 -10.021 1.703 -1.136 153 HD23 LEU 17 3HD2 LEU 17 -10.223 1.810 0.615 154 H SER 18 H SER 18 -5.350 -1.510 -1.997 155 HA SER 18 HA SER 18 -5.606 -1.475 -4.834 156 HB2 SER 18 2HB SER 18 -3.363 -2.482 -4.881 157 HB3 SER 18 1HB SER 18 -3.429 -1.201 -3.666 158 HG SER 18 HG SER 18 -3.755 -2.851 -2.093 159 H GLN 19 H GLN 19 -5.934 -4.053 -2.429 160 HA GLN 19 HA GLN 19 -6.229 -6.283 -4.094 161 HB2 GLN 19 2HB GLN 19 -6.097 -6.404 -1.603 162 HB3 GLN 19 1HB GLN 19 -7.692 -5.671 -1.486 163 HG2 GLN 19 2HG GLN 19 -7.892 -8.057 -1.128 164 HG3 GLN 19 1HG GLN 19 -8.655 -7.648 -2.664 165 HE21 GLN 19 1HE2 GLN 19 -5.917 -9.193 -1.146 166 HE22 GLN 19 2HE2 GLN 19 -5.381 -10.072 -2.539 167 H SER 20 H SER 20 -8.640 -3.966 -2.877 168 HA SER 20 HA SER 20 -10.892 -4.958 -4.235 169 HB2 SER 20 2HB SER 20 -10.330 -2.119 -3.283 170 HB3 SER 20 1HB SER 20 -11.917 -2.770 -3.707 171 HG SER 20 HG SER 20 -10.461 -4.224 -1.844 172 H LEU 21 H LEU 21 -8.444 -2.542 -5.179 173 HA LEU 21 HA LEU 21 -9.727 -1.511 -7.475 174 HB2 LEU 21 2HB LEU 21 -6.742 -1.614 -6.831 175 HB3 LEU 21 1HB LEU 21 -7.449 -0.672 -8.134 176 HG LEU 21 HG LEU 21 -7.819 -0.212 -5.156 177 HD11 LEU 21 1HD1 LEU 21 -6.466 1.510 -7.246 178 HD12 LEU 21 2HD1 LEU 21 -5.661 0.550 -6.003 179 HD13 LEU 21 3HD1 LEU 21 -6.676 1.914 -5.537 180 HD21 LEU 21 1HD2 LEU 21 -9.132 1.283 -7.441 181 HD22 LEU 21 2HD2 LEU 21 -9.176 1.752 -5.739 182 HD23 LEU 21 3HD2 LEU 21 -9.937 0.251 -6.255 183 H LEU 22 H LEU 22 -7.450 -4.167 -6.962 184 HA LEU 22 HA LEU 22 -7.016 -4.889 -9.655 185 HB2 LEU 22 2HB LEU 22 -5.569 -5.653 -7.794 186 HB3 LEU 22 1HB LEU 22 -6.893 -6.614 -7.149 187 HG LEU 22 HG LEU 22 -6.853 -8.040 -9.211 188 HD11 LEU 22 1HD1 LEU 22 -4.993 -7.885 -10.803 189 HD12 LEU 22 2HD1 LEU 22 -4.421 -6.415 -10.012 190 HD13 LEU 22 3HD1 LEU 22 -5.988 -6.430 -10.825 191 HD21 LEU 22 1HD2 LEU 22 -4.168 -7.872 -7.815 192 HD22 LEU 22 2HD2 LEU 22 -4.803 -9.260 -8.703 193 HD23 LEU 22 3HD2 LEU 22 -5.592 -8.730 -7.220 194 H GLU 23 H GLU 23 -9.213 -6.291 -7.176 195 HA GLU 23 HA GLU 23 -10.498 -8.238 -8.692 196 HB2 GLU 23 2HB GLU 23 -11.664 -6.562 -6.433 197 HB3 GLU 23 1HB GLU 23 -12.372 -8.057 -7.041 198 HG2 GLU 23 2HG GLU 23 -10.415 -9.327 -6.283 199 HG3 GLU 23 1HG GLU 23 -9.640 -7.835 -5.742 200 H LEU 24 H LEU 24 -11.481 -4.879 -8.140 201 HA LEU 24 HA LEU 24 -13.900 -4.921 -9.592 202 HB2 LEU 24 2HB LEU 24 -12.096 -2.604 -8.794 203 HB3 LEU 24 1HB LEU 24 -13.700 -2.398 -9.481 204 HG LEU 24 HG LEU 24 -13.130 -3.815 -6.849 205 HD11 LEU 24 1HD1 LEU 24 -14.010 -1.833 -5.727 206 HD12 LEU 24 2HD1 LEU 24 -14.179 -1.011 -7.277 207 HD13 LEU 24 3HD1 LEU 24 -12.578 -1.443 -6.679 208 HD21 LEU 24 1HD2 LEU 24 -15.165 -4.643 -7.915 209 HD22 LEU 24 2HD2 LEU 24 -15.774 -2.995 -8.091 210 HD23 LEU 24 3HD2 LEU 24 -15.559 -3.691 -6.483 211 H ALA 25 H ALA 25 -10.574 -3.998 -10.512 212 HA ALA 25 HA ALA 25 -11.053 -3.038 -13.119 213 HB1 ALA 25 1HB ALA 25 -8.618 -4.507 -12.057 214 HB2 ALA 25 2HB ALA 25 -8.904 -2.770 -11.970 215 HB3 ALA 25 3HB ALA 25 -8.676 -3.539 -13.539 216 H GLN 26 H GLN 26 -10.450 -6.321 -11.921 217 HA GLN 26 HA GLN 26 -10.485 -7.747 -14.372 218 HB2 GLN 26 2HB GLN 26 -11.281 -8.682 -11.578 219 HB3 GLN 26 1HB GLN 26 -10.923 -9.744 -12.937 220 HG2 GLN 26 2HG GLN 26 -8.606 -9.126 -12.928 221 HG3 GLN 26 1HG GLN 26 -8.891 -7.800 -11.804 222 HE21 GLN 26 1HE2 GLN 26 -7.039 -10.031 -11.540 223 HE22 GLN 26 2HE2 GLN 26 -7.465 -10.836 -10.074 224 H ARG 27 H ARG 27 -13.030 -6.719 -12.161 225 HA ARG 27 HA ARG 27 -15.196 -8.083 -13.539 226 HB2 ARG 27 2HB ARG 27 -15.258 -5.986 -11.322 227 HB3 ARG 27 1HB ARG 27 -16.629 -6.969 -11.840 228 HG2 ARG 27 2HG ARG 27 -15.643 -8.978 -10.992 229 HG3 ARG 27 1HG ARG 27 -14.075 -8.203 -10.771 230 HD2 ARG 27 2HD ARG 27 -15.211 -6.699 -9.036 231 HD3 ARG 27 1HD ARG 27 -16.602 -7.789 -9.146 232 HE ARG 27 HE ARG 27 -14.023 -9.035 -8.609 233 HH11 ARG 27 1HH1 ARG 27 -16.998 -7.808 -7.193 234 HH12 ARG 27 2HH1 ARG 27 -16.803 -8.689 -5.709 235 HH21 ARG 27 1HH2 ARG 27 -13.752 -10.184 -6.681 236 HH22 ARG 27 2HH2 ARG 27 -14.942 -10.045 -5.423 237 H GLY 28 H GLY 28 -13.471 -5.262 -14.223 238 HA2 GLY 28 2HA GLY 28 -13.801 -3.776 -15.976 239 HA3 GLY 28 1HA GLY 28 -15.441 -4.361 -16.184 240 H GLU 29 H GLU 29 -14.791 -3.581 -12.995 241 HA GLU 29 HA GLU 29 -16.459 -1.215 -13.017 242 HB2 GLU 29 2HB GLU 29 -15.119 -2.704 -10.721 243 HB3 GLU 29 1HB GLU 29 -16.335 -1.444 -10.555 244 HG2 GLU 29 2HG GLU 29 -16.763 -4.163 -11.824 245 HG3 GLU 29 1HG GLU 29 -17.285 -3.678 -10.209 246 H TRP 30 H TRP 30 -14.366 -0.418 -14.395 247 HA TRP 30 HA TRP 30 -12.048 0.423 -13.015 248 HB2 TRP 30 2HB TRP 30 -13.216 1.419 -15.647 249 HB3 TRP 30 1HB TRP 30 -11.615 1.846 -15.046 250 HD1 TRP 30 HD1 TRP 30 -13.470 -0.940 -16.840 251 HE1 TRP 30 HE1 TRP 30 -11.799 -2.776 -17.498 252 HE3 TRP 30 HE3 TRP 30 -9.375 0.673 -14.218 253 HZ2 TRP 30 HZ2 TRP 30 -9.122 -3.459 -16.996 254 HZ3 TRP 30 HZ3 TRP 30 -7.295 -0.636 -14.364 255 HH2 TRP 30 HH2 TRP 30 -7.172 -2.660 -15.724 256 H ASP 31 H ASP 31 -15.192 1.939 -13.457 257 HA ASP 31 HA ASP 31 -14.592 4.623 -12.863 258 HB2 ASP 31 2HB ASP 31 -17.140 3.098 -12.140 259 HB3 ASP 31 1HB ASP 31 -16.980 4.853 -12.199 260 H LEU 32 H LEU 32 -15.248 1.850 -10.783 261 HA LEU 32 HA LEU 32 -15.292 3.228 -8.297 262 HB2 LEU 32 2HB LEU 32 -14.742 0.294 -8.889 263 HB3 LEU 32 1HB LEU 32 -15.050 0.956 -7.290 264 HG LEU 32 HG LEU 32 -17.031 0.878 -9.600 265 HD11 LEU 32 1HD1 LEU 32 -18.278 -0.717 -8.247 266 HD12 LEU 32 2HD1 LEU 32 -17.044 -0.644 -6.984 267 HD13 LEU 32 3HD1 LEU 32 -16.650 -1.310 -8.570 268 HD21 LEU 32 1HD2 LEU 32 -17.391 2.900 -8.275 269 HD22 LEU 32 2HD2 LEU 32 -17.445 1.948 -6.790 270 HD23 LEU 32 3HD2 LEU 32 -18.700 1.747 -8.017 271 H LEU 33 H LEU 33 -12.666 1.778 -10.226 272 HA LEU 33 HA LEU 33 -10.572 2.140 -8.329 273 HB2 LEU 33 2HB LEU 33 -10.524 1.988 -11.361 274 HB3 LEU 33 1HB LEU 33 -9.067 2.357 -10.457 275 HG LEU 33 HG LEU 33 -9.416 0.145 -9.215 276 HD11 LEU 33 1HD1 LEU 33 -11.747 -0.252 -9.745 277 HD12 LEU 33 2HD1 LEU 33 -10.744 -1.585 -10.312 278 HD13 LEU 33 3HD1 LEU 33 -11.361 -0.394 -11.462 279 HD21 LEU 33 1HD2 LEU 33 -8.817 0.043 -12.184 280 HD22 LEU 33 2HD2 LEU 33 -8.366 -1.183 -10.994 281 HD23 LEU 33 3HD2 LEU 33 -7.676 0.437 -10.895 282 H LEU 34 H LEU 34 -11.952 4.232 -10.831 283 HA LEU 34 HA LEU 34 -10.090 6.361 -10.617 284 HB2 LEU 34 2HB LEU 34 -12.970 6.514 -11.596 285 HB3 LEU 34 1HB LEU 34 -11.692 7.670 -11.940 286 HG LEU 34 HG LEU 34 -11.926 4.830 -12.986 287 HD11 LEU 34 1HD1 LEU 34 -13.349 6.415 -14.143 288 HD12 LEU 34 2HD1 LEU 34 -12.044 5.873 -15.195 289 HD13 LEU 34 3HD1 LEU 34 -11.970 7.473 -14.452 290 HD21 LEU 34 1HD2 LEU 34 -9.598 6.728 -13.405 291 HD22 LEU 34 2HD2 LEU 34 -9.840 5.189 -14.235 292 HD23 LEU 34 3HD2 LEU 34 -9.572 5.214 -12.496 293 H GLN 35 H GLN 35 -13.105 5.651 -8.922 294 HA GLN 35 HA GLN 35 -13.343 8.172 -7.547 295 HB2 GLN 35 2HB GLN 35 -14.577 5.439 -6.999 296 HB3 GLN 35 1HB GLN 35 -15.005 6.906 -6.118 297 HG2 GLN 35 2HG GLN 35 -15.888 7.928 -8.139 298 HG3 GLN 35 1HG GLN 35 -15.338 6.564 -9.114 299 HE21 GLN 35 1HE2 GLN 35 -18.065 7.644 -8.723 300 HE22 GLN 35 2HE2 GLN 35 -19.003 6.303 -8.174 301 H GLN 36 H GLN 36 -12.357 4.879 -6.509 302 HA GLN 36 HA GLN 36 -11.462 5.567 -3.917 303 HB2 GLN 36 2HB GLN 36 -10.682 3.204 -5.687 304 HB3 GLN 36 1HB GLN 36 -10.206 3.361 -4.003 305 HG2 GLN 36 2HG GLN 36 -13.056 3.156 -4.999 306 HG3 GLN 36 1HG GLN 36 -12.115 1.834 -4.315 307 HE21 GLN 36 1HE2 GLN 36 -14.634 2.867 -3.395 308 HE22 GLN 36 2HE2 GLN 36 -14.399 3.406 -1.770 309 H GLU 37 H GLU 37 -10.009 6.037 -7.006 310 HA GLU 37 HA GLU 37 -7.301 5.933 -6.671 311 HB2 GLU 37 2HB GLU 37 -8.426 6.506 -8.804 312 HB3 GLU 37 1HB GLU 37 -8.860 8.086 -8.162 313 HG2 GLU 37 2HG GLU 37 -6.369 8.562 -7.932 314 HG3 GLU 37 1HG GLU 37 -6.077 7.066 -8.820 315 H VAL 38 H VAL 38 -9.283 8.893 -6.085 316 HA VAL 38 HA VAL 38 -7.138 10.502 -5.215 317 HB VAL 38 HB VAL 38 -10.107 10.873 -4.577 318 HG11 VAL 38 1HG1 VAL 38 -9.549 13.280 -4.313 319 HG12 VAL 38 2HG1 VAL 38 -7.840 12.908 -4.550 320 HG13 VAL 38 3HG1 VAL 38 -8.687 12.284 -3.135 321 HG21 VAL 38 1HG2 VAL 38 -10.166 12.340 -6.573 322 HG22 VAL 38 2HG2 VAL 38 -9.705 10.693 -7.012 323 HG23 VAL 38 3HG2 VAL 38 -8.475 11.955 -6.913 324 H SER 39 H SER 39 -9.484 8.569 -3.365 325 HA SER 39 HA SER 39 -8.658 9.216 -0.749 326 HB2 SER 39 2HB SER 39 -9.869 6.619 -1.794 327 HB3 SER 39 1HB SER 39 -9.796 7.101 -0.096 328 HG SER 39 HG SER 39 -10.961 9.063 -0.910 329 H TYR 40 H TYR 40 -7.506 6.837 -3.086 330 HA TYR 40 HA TYR 40 -5.787 5.350 -1.358 331 HB2 TYR 40 2HB TYR 40 -6.819 4.514 -3.546 332 HB3 TYR 40 1HB TYR 40 -5.665 5.517 -4.415 333 HD1 TYR 40 HD1 TYR 40 -6.169 2.455 -2.530 334 HD2 TYR 40 HD2 TYR 40 -3.192 4.926 -4.326 335 HE1 TYR 40 HE1 TYR 40 -4.575 0.615 -2.394 336 HE2 TYR 40 HE2 TYR 40 -1.580 3.074 -4.190 337 HH TYR 40 HH TYR 40 -1.258 1.023 -2.929 338 H LEU 41 H LEU 41 -5.344 8.029 -3.644 339 HA LEU 41 HA LEU 41 -2.531 8.217 -3.652 340 HB2 LEU 41 2HB LEU 41 -4.504 10.528 -3.940 341 HB3 LEU 41 1HB LEU 41 -2.832 10.517 -4.478 342 HG LEU 41 HG LEU 41 -5.087 8.863 -5.648 343 HD11 LEU 41 1HD1 LEU 41 -5.308 11.218 -6.194 344 HD12 LEU 41 2HD1 LEU 41 -4.900 10.271 -7.620 345 HD13 LEU 41 3HD1 LEU 41 -3.660 11.249 -6.829 346 HD21 LEU 41 1HD2 LEU 41 -2.983 7.631 -5.801 347 HD22 LEU 41 2HD2 LEU 41 -2.210 9.014 -6.578 348 HD23 LEU 41 3HD2 LEU 41 -3.526 8.164 -7.390 349 H GLN 42 H GLN 42 -5.035 9.925 -1.803 350 HA GLN 42 HA GLN 42 -3.449 11.446 -0.099 351 HB2 GLN 42 2HB GLN 42 -5.924 11.698 -0.417 352 HB3 GLN 42 1HB GLN 42 -6.179 10.220 0.508 353 HG2 GLN 42 2HG GLN 42 -5.117 11.311 2.481 354 HG3 GLN 42 1HG GLN 42 -4.962 12.800 1.551 355 HE21 GLN 42 1HE2 GLN 42 -6.387 12.324 4.034 356 HE22 GLN 42 2HE2 GLN 42 -8.033 12.760 3.749 357 H SER 43 H SER 43 -4.626 8.089 0.268 358 HA SER 43 HA SER 43 -3.729 7.601 2.891 359 HB2 SER 43 2HB SER 43 -4.097 5.638 0.583 360 HB3 SER 43 1HB SER 43 -3.867 5.169 2.270 361 HG SER 43 HG SER 43 -5.927 6.951 1.592 362 H ILE 44 H ILE 44 -2.183 6.631 -0.199 363 HA ILE 44 HA ILE 44 0.035 5.382 1.016 364 HB ILE 44 HB ILE 44 -0.831 4.751 -1.227 365 HG12 ILE 44 2HG1 ILE 44 2.117 5.534 -1.253 366 HG13 ILE 44 1HG1 ILE 44 1.450 4.054 -0.577 367 HG21 ILE 44 1HG2 ILE 44 -0.318 6.034 -3.249 368 HG22 ILE 44 2HG2 ILE 44 0.437 7.301 -2.280 369 HG23 ILE 44 3HG2 ILE 44 -1.295 6.999 -2.136 370 HD11 ILE 44 1HD1 ILE 44 1.457 4.831 -3.494 371 HD12 ILE 44 2HD1 ILE 44 0.732 3.366 -2.822 372 HD13 ILE 44 3HD1 ILE 44 2.472 3.621 -2.706 373 H GLU 45 H GLU 45 -0.427 8.620 -0.322 374 HA GLU 45 HA GLU 45 2.237 9.533 -0.109 375 HB2 GLU 45 2HB GLU 45 -0.415 11.019 -0.142 376 HB3 GLU 45 1HB GLU 45 1.135 11.854 -0.092 377 HG2 GLU 45 2HG GLU 45 0.335 9.903 -2.272 378 HG3 GLU 45 1HG GLU 45 0.108 11.644 -2.382 379 H THR 46 H THR 46 -0.579 9.844 2.142 380 HA THR 46 HA THR 46 0.669 11.217 4.215 381 HB THR 46 HB THR 46 -1.540 9.118 4.407 382 HG1 THR 46 HG1 THR 46 -2.756 10.732 3.814 383 HG21 THR 46 1HG2 THR 46 -0.490 9.357 6.648 384 HG22 THR 46 2HG2 THR 46 -2.098 10.082 6.627 385 HG23 THR 46 3HG2 THR 46 -0.666 11.111 6.547 386 H VAL 47 H VAL 47 0.739 7.743 3.494 387 HA VAL 47 HA VAL 47 2.016 6.904 5.906 388 HB VAL 47 HB VAL 47 2.116 5.440 3.231 389 HG11 VAL 47 1HG1 VAL 47 2.312 4.410 6.091 390 HG12 VAL 47 2HG1 VAL 47 3.638 4.519 4.930 391 HG13 VAL 47 3HG1 VAL 47 2.301 3.406 4.638 392 HG21 VAL 47 1HG2 VAL 47 -0.199 5.970 3.688 393 HG22 VAL 47 2HG2 VAL 47 -0.059 5.394 5.341 394 HG23 VAL 47 3HG2 VAL 47 0.058 4.258 3.998 395 H MET 48 H MET 48 3.293 7.537 2.607 396 HA MET 48 HA MET 48 6.025 6.962 3.355 397 HB2 MET 48 2HB MET 48 4.906 8.220 0.819 398 HB3 MET 48 1HB MET 48 6.585 7.744 1.040 399 HG2 MET 48 2HG MET 48 5.841 5.389 1.369 400 HG3 MET 48 1HG MET 48 4.185 5.895 1.033 401 HE1 MET 48 1HE MET 48 3.386 6.846 -1.352 402 HE2 MET 48 2HE MET 48 4.454 7.002 -2.745 403 HE3 MET 48 3HE MET 48 4.663 8.065 -1.353 404 H GLU 49 H GLU 49 4.044 9.746 3.607 405 HA GLU 49 HA GLU 49 6.308 11.573 4.068 406 HB2 GLU 49 2HB GLU 49 3.296 12.071 4.113 407 HB3 GLU 49 1HB GLU 49 4.521 13.307 4.392 408 HG2 GLU 49 2HG GLU 49 5.389 12.979 2.103 409 HG3 GLU 49 1HG GLU 49 4.182 11.726 1.826 410 H LYS 50 H LYS 50 4.358 9.377 5.786 411 HA LYS 50 HA LYS 50 4.551 10.710 8.378 412 HB2 LYS 50 2HB LYS 50 2.563 9.237 7.704 413 HB3 LYS 50 1HB LYS 50 3.630 7.844 7.808 414 HG2 LYS 50 2HG LYS 50 2.313 8.022 9.847 415 HG3 LYS 50 1HG LYS 50 4.009 8.346 10.224 416 HD2 LYS 50 2HD LYS 50 2.526 9.930 11.399 417 HD3 LYS 50 1HD LYS 50 3.546 10.782 10.238 418 HE2 LYS 50 2HE LYS 50 1.629 10.820 8.633 419 HE3 LYS 50 1HE LYS 50 0.623 10.023 9.843 420 HZ1 LYS 50 1HZ LYS 50 1.906 12.683 10.165 421 HZ2 LYS 50 2HZ LYS 50 0.903 11.922 11.288 422 HZ3 LYS 50 3HZ LYS 50 0.278 12.417 9.800 423 H GLN 51 H GLN 51 6.149 10.344 9.793 424 HA GLN 51 HA GLN 51 8.473 8.835 9.191 425 HB2 GLN 51 2HB GLN 51 8.432 10.817 10.723 426 HB3 GLN 51 1HB GLN 51 7.499 9.880 11.883 427 HG2 GLN 51 2HG GLN 51 9.672 8.234 11.587 428 HG3 GLN 51 1HG GLN 51 10.424 9.796 11.267 429 HE21 GLN 51 1HE2 GLN 51 8.936 7.760 13.632 430 HE22 GLN 51 2HE2 GLN 51 9.283 8.741 15.013 431 H THR 52 H THR 52 8.861 6.721 9.557 432 HA THR 52 HA THR 52 6.918 4.910 10.534 433 HB THR 52 HB THR 52 9.904 4.430 10.133 434 HG1 THR 52 HG1 THR 52 9.504 4.315 8.032 435 HG21 THR 52 1HG2 THR 52 8.768 2.569 11.295 436 HG22 THR 52 2HG2 THR 52 9.232 2.100 9.659 437 HG23 THR 52 3HG2 THR 52 7.553 2.501 10.018 438 HA PRO 53 HA PRO 53 7.866 5.520 14.951 439 HB2 PRO 53 2HB PRO 53 6.391 3.409 15.965 440 HB3 PRO 53 1HB PRO 53 5.650 4.918 15.396 441 HG2 PRO 53 2HG PRO 53 5.946 2.315 13.919 442 HG3 PRO 53 1HG PRO 53 4.518 3.368 14.060 443 HD2 PRO 53 2HD PRO 53 6.075 3.440 11.867 444 HD3 PRO 53 1HD PRO 53 5.332 4.921 12.515 445 HA PRO 54 HA PRO 54 11.299 2.688 15.711 446 HB2 PRO 54 2HB PRO 54 10.845 3.018 18.647 447 HB3 PRO 54 1HB PRO 54 12.242 3.509 17.666 448 HG2 PRO 54 2HG PRO 54 10.557 5.337 18.672 449 HG3 PRO 54 1HG PRO 54 11.295 5.545 17.067 450 HD2 PRO 54 2HD PRO 54 8.516 4.573 17.745 451 HD3 PRO 54 1HD PRO 54 9.029 5.754 16.515 452 H GLY 55 H GLY 55 8.520 2.285 17.913 453 HA2 GLY 55 2HA GLY 55 8.989 -0.368 18.722 454 HA3 GLY 55 1HA GLY 55 7.465 0.493 18.832 455 H ILE 56 H ILE 56 9.475 -1.512 16.781 456 HA ILE 56 HA ILE 56 7.106 -2.614 15.401 457 HB ILE 56 HB ILE 56 9.735 -1.797 14.062 458 HG12 ILE 56 2HG1 ILE 56 6.854 -0.924 13.552 459 HG13 ILE 56 1HG1 ILE 56 8.122 0.055 14.280 460 HG21 ILE 56 1HG2 ILE 56 8.897 -2.801 11.964 461 HG22 ILE 56 2HG2 ILE 56 7.475 -3.409 12.810 462 HG23 ILE 56 3HG2 ILE 56 9.073 -4.029 13.220 463 HD11 ILE 56 1HD1 ILE 56 9.352 0.001 12.151 464 HD12 ILE 56 2HD1 ILE 56 7.751 0.725 12.015 465 HD13 ILE 56 3HD1 ILE 56 8.023 -0.913 11.427 466 H THR 57 H THR 57 7.055 -4.508 16.489 467 HA THR 57 HA THR 57 9.394 -6.155 16.998 468 HB THR 57 HB THR 57 7.652 -7.800 17.845 469 HG1 THR 57 HG1 THR 57 5.495 -6.661 18.105 470 HG21 THR 57 1HG2 THR 57 7.407 -5.002 19.023 471 HG22 THR 57 2HG2 THR 57 8.680 -6.163 19.406 472 HG23 THR 57 3HG2 THR 57 7.009 -6.518 19.840 473 H ARG 58 H ARG 58 8.707 -8.668 16.444 474 HA ARG 58 HA ARG 58 9.217 -9.003 13.700 475 HB2 ARG 58 2HB ARG 58 9.926 -10.647 15.404 476 HB3 ARG 58 1HB ARG 58 8.247 -11.025 15.773 477 HG2 ARG 58 2HG ARG 58 9.250 -12.779 14.388 478 HG3 ARG 58 1HG ARG 58 7.952 -11.969 13.507 479 HD2 ARG 58 2HD ARG 58 9.665 -10.592 12.319 480 HD3 ARG 58 1HD ARG 58 10.936 -11.492 13.155 481 HE ARG 58 HE ARG 58 9.785 -13.515 12.037 482 HH11 ARG 58 1HH1 ARG 58 10.097 -10.354 10.521 483 HH12 ARG 58 2HH1 ARG 58 10.106 -11.001 8.913 484 HH21 ARG 58 1HH2 ARG 58 9.782 -14.340 9.933 485 HH22 ARG 58 2HH2 ARG 58 9.927 -13.263 8.580 486 H SER 59 H SER 59 6.231 -9.568 15.618 487 HA SER 59 HA SER 59 4.531 -10.465 13.599 488 HB2 SER 59 2HB SER 59 3.764 -8.752 16.001 489 HB3 SER 59 1HB SER 59 2.682 -9.806 15.087 490 HG SER 59 HG SER 59 3.581 -10.664 17.099 491 H ILE 60 H ILE 60 5.208 -7.153 14.682 492 HA ILE 60 HA ILE 60 3.413 -5.758 12.996 493 HB ILE 60 HB ILE 60 5.995 -4.803 14.319 494 HG12 ILE 60 2HG1 ILE 60 3.075 -4.508 15.172 495 HG13 ILE 60 1HG1 ILE 60 4.262 -5.569 15.918 496 HG21 ILE 60 1HG2 ILE 60 3.819 -3.110 13.028 497 HG22 ILE 60 2HG2 ILE 60 5.468 -3.307 12.437 498 HG23 ILE 60 3HG2 ILE 60 5.174 -2.483 13.969 499 HD11 ILE 60 1HD1 ILE 60 4.348 -2.555 15.912 500 HD12 ILE 60 2HD1 ILE 60 5.533 -3.622 16.665 501 HD13 ILE 60 3HD1 ILE 60 3.874 -3.592 17.256 502 H GLN 61 H GLN 61 6.808 -6.697 12.641 503 HA GLN 61 HA GLN 61 7.433 -5.386 10.231 504 HB2 GLN 61 2HB GLN 61 9.120 -6.331 11.761 505 HB3 GLN 61 1HB GLN 61 8.548 -7.961 11.429 506 HG2 GLN 61 2HG GLN 61 9.269 -7.681 9.051 507 HG3 GLN 61 1HG GLN 61 9.918 -6.093 9.472 508 HE21 GLN 61 1HE2 GLN 61 12.030 -6.695 8.922 509 HE22 GLN 61 2HE2 GLN 61 12.967 -7.773 9.894 510 H ASP 62 H ASP 62 6.061 -8.615 10.867 511 HA ASP 62 HA ASP 62 6.049 -9.535 8.170 512 HB2 ASP 62 2HB ASP 62 4.560 -10.455 10.657 513 HB3 ASP 62 1HB ASP 62 4.296 -11.224 9.094 514 H MET 63 H MET 63 3.546 -7.973 10.194 515 HA MET 63 HA MET 63 1.454 -8.130 8.274 516 HB2 MET 63 2HB MET 63 1.822 -6.237 10.633 517 HB3 MET 63 1HB MET 63 0.356 -6.310 9.659 518 HG2 MET 63 2HG MET 63 0.077 -8.686 10.288 519 HG3 MET 63 1HG MET 63 1.505 -8.568 11.313 520 HE1 MET 63 1HE MET 63 1.625 -7.056 13.519 521 HE2 MET 63 2HE MET 63 0.285 -6.073 14.100 522 HE3 MET 63 3HE MET 63 1.135 -5.609 12.627 523 H VAL 64 H VAL 64 3.655 -5.441 9.104 524 HA VAL 64 HA VAL 64 2.723 -3.559 7.244 525 HB VAL 64 HB VAL 64 5.440 -3.828 8.614 526 HG11 VAL 64 1HG1 VAL 64 5.797 -2.549 6.552 527 HG12 VAL 64 2HG1 VAL 64 5.895 -1.473 7.947 528 HG13 VAL 64 3HG1 VAL 64 4.443 -1.492 6.946 529 HG21 VAL 64 1HG2 VAL 64 4.613 -1.978 10.051 530 HG22 VAL 64 2HG2 VAL 64 3.532 -3.372 10.123 531 HG23 VAL 64 3HG2 VAL 64 3.088 -1.966 9.155 532 H ALA 65 H ALA 65 5.696 -5.625 6.988 533 HA ALA 65 HA ALA 65 6.281 -4.853 4.317 534 HB1 ALA 65 1HB ALA 65 7.996 -5.774 5.854 535 HB2 ALA 65 2HB ALA 65 7.962 -6.619 4.305 536 HB3 ALA 65 3HB ALA 65 7.236 -7.363 5.741 537 H GLY 66 H GLY 66 4.333 -7.475 5.662 538 HA2 GLY 66 2HA GLY 66 4.007 -9.045 3.310 539 HA3 GLY 66 1HA GLY 66 2.938 -9.028 4.706 540 H TYR 67 H TYR 67 2.202 -6.311 4.650 541 HA TYR 67 HA TYR 67 0.172 -6.308 2.630 542 HB2 TYR 67 2HB TYR 67 0.907 -4.382 4.855 543 HB3 TYR 67 1HB TYR 67 -0.321 -3.959 3.661 544 HD1 TYR 67 HD1 TYR 67 -1.399 -6.908 3.379 545 HD2 TYR 67 HD2 TYR 67 -0.666 -4.380 6.744 546 HE1 TYR 67 HE1 TYR 67 -3.153 -8.067 4.622 547 HE2 TYR 67 HE2 TYR 67 -2.430 -5.551 7.971 548 HH TYR 67 HH TYR 67 -3.824 -8.485 6.892 549 H ILE 68 H ILE 68 3.256 -4.574 3.060 550 HA ILE 68 HA ILE 68 2.976 -2.773 0.889 551 HB ILE 68 HB ILE 68 5.631 -4.041 1.758 552 HG12 ILE 68 2HG1 ILE 68 4.351 -1.471 2.806 553 HG13 ILE 68 1HG1 ILE 68 4.520 -2.963 3.710 554 HG21 ILE 68 1HG2 ILE 68 6.653 -1.992 0.771 555 HG22 ILE 68 2HG2 ILE 68 5.055 -1.430 0.277 556 HG23 ILE 68 3HG2 ILE 68 5.731 -2.898 -0.432 557 HD11 ILE 68 1HD1 ILE 68 6.793 -1.251 2.720 558 HD12 ILE 68 2HD1 ILE 68 6.944 -2.744 3.651 559 HD13 ILE 68 3HD1 ILE 68 6.180 -1.328 4.372 560 H LYS 69 H LYS 69 4.447 -6.018 1.107 561 HA LYS 69 HA LYS 69 5.221 -6.449 -1.525 562 HB2 LYS 69 2HB LYS 69 5.659 -7.844 0.635 563 HB3 LYS 69 1HB LYS 69 4.139 -8.649 0.304 564 HG2 LYS 69 2HG LYS 69 6.421 -8.596 -1.695 565 HG3 LYS 69 1HG LYS 69 6.308 -9.823 -0.433 566 HD2 LYS 69 2HD LYS 69 4.132 -10.566 -1.352 567 HD3 LYS 69 1HD LYS 69 4.222 -9.311 -2.590 568 HE2 LYS 69 2HE LYS 69 6.291 -10.389 -3.473 569 HE3 LYS 69 1HE LYS 69 6.090 -11.684 -2.287 570 HZ1 LYS 69 1HZ LYS 69 4.158 -10.969 -4.430 571 HZ2 LYS 69 2HZ LYS 69 3.952 -12.208 -3.294 572 HZ3 LYS 69 3HZ LYS 69 5.194 -12.304 -4.434 573 H GLN 70 H GLN 70 2.157 -7.220 0.093 574 HA GLN 70 HA GLN 70 0.756 -8.444 -1.959 575 HB2 GLN 70 2HB GLN 70 -0.087 -8.497 0.307 576 HB3 GLN 70 1HB GLN 70 -0.268 -6.743 0.353 577 HG2 GLN 70 2HG GLN 70 -2.055 -6.851 -1.308 578 HG3 GLN 70 1HG GLN 70 -1.820 -8.587 -1.488 579 HE21 GLN 70 1HE2 GLN 70 -3.936 -9.037 -0.956 580 HE22 GLN 70 2HE2 GLN 70 -4.565 -8.860 0.643 581 H THR 71 H THR 71 0.790 -4.956 -1.102 582 HA THR 71 HA THR 71 -1.180 -4.314 -3.083 583 HB THR 71 HB THR 71 -1.115 -3.035 -1.028 584 HG1 THR 71 HG1 THR 71 -1.827 -1.475 -2.204 585 HG21 THR 71 1HG2 THR 71 1.561 -1.876 -1.832 586 HG22 THR 71 2HG2 THR 71 1.327 -3.082 -0.566 587 HG23 THR 71 3HG2 THR 71 0.605 -1.482 -0.399 588 H LEU 72 H LEU 72 2.315 -4.392 -2.977 589 HA LEU 72 HA LEU 72 2.931 -2.933 -5.306 590 HB2 LEU 72 2HB LEU 72 4.407 -5.320 -4.111 591 HB3 LEU 72 1HB LEU 72 5.032 -4.318 -5.409 592 HG LEU 72 HG LEU 72 4.609 -3.537 -2.519 593 HD11 LEU 72 1HD1 LEU 72 6.681 -4.730 -2.970 594 HD12 LEU 72 2HD1 LEU 72 6.990 -3.057 -2.509 595 HD13 LEU 72 3HD1 LEU 72 7.115 -3.542 -4.203 596 HD21 LEU 72 1HD2 LEU 72 5.222 -1.683 -4.825 597 HD22 LEU 72 2HD2 LEU 72 5.370 -1.266 -3.115 598 HD23 LEU 72 3HD2 LEU 72 3.792 -1.678 -3.781 599 H ASP 73 H ASP 73 2.499 -6.478 -4.840 600 HA ASP 73 HA ASP 73 2.692 -7.280 -7.510 601 HB2 ASP 73 2HB ASP 73 1.186 -8.526 -5.176 602 HB3 ASP 73 1HB ASP 73 1.183 -9.278 -6.767 603 H ASN 74 H ASN 74 -0.270 -6.508 -5.667 604 HA ASN 74 HA ASN 74 -2.162 -7.164 -7.628 605 HB2 ASN 74 2HB ASN 74 -2.355 -5.223 -5.281 606 HB3 ASN 74 1HB ASN 74 -3.739 -5.662 -6.284 607 HD21 ASN 74 1HD2 ASN 74 -4.909 -6.730 -4.779 608 HD22 ASN 74 2HD2 ASN 74 -4.409 -8.178 -3.985 609 H GLU 75 H GLU 75 -0.893 -3.904 -6.754 610 HA GLU 75 HA GLU 75 -2.332 -2.749 -8.975 611 HB2 GLU 75 2HB GLU 75 -1.739 -1.584 -6.693 612 HB3 GLU 75 1HB GLU 75 -0.223 -1.183 -7.493 613 HG2 GLU 75 2HG GLU 75 -1.523 -0.117 -9.350 614 HG3 GLU 75 1HG GLU 75 -3.010 -0.448 -8.468 615 H GLN 76 H GLN 76 0.788 -4.248 -8.658 616 HA GLN 76 HA GLN 76 2.028 -3.038 -10.944 617 HB2 GLN 76 2HB GLN 76 3.305 -4.389 -9.270 618 HB3 GLN 76 1HB GLN 76 2.506 -5.842 -9.856 619 HG2 GLN 76 2HG GLN 76 3.544 -5.538 -12.069 620 HG3 GLN 76 1HG GLN 76 4.309 -4.047 -11.523 621 HE21 GLN 76 1HE2 GLN 76 4.052 -7.006 -9.587 622 HE22 GLN 76 2HE2 GLN 76 5.742 -7.359 -9.588 623 H LEU 77 H LEU 77 -0.046 -5.881 -10.471 624 HA LEU 77 HA LEU 77 -0.295 -6.728 -13.147 625 HB2 LEU 77 2HB LEU 77 -2.349 -6.805 -10.900 626 HB3 LEU 77 1HB LEU 77 -2.505 -7.683 -12.414 627 HG LEU 77 HG LEU 77 -0.316 -8.145 -10.348 628 HD11 LEU 77 1HD1 LEU 77 -1.443 -10.246 -9.834 629 HD12 LEU 77 2HD1 LEU 77 -2.740 -9.853 -10.965 630 HD13 LEU 77 3HD1 LEU 77 -2.503 -8.873 -9.517 631 HD21 LEU 77 1HD2 LEU 77 -0.944 -9.665 -12.899 632 HD22 LEU 77 2HD2 LEU 77 0.251 -10.134 -11.686 633 HD23 LEU 77 3HD2 LEU 77 0.469 -8.646 -12.603 634 H LEU 78 H LEU 78 -2.098 -4.301 -11.235 635 HA LEU 78 HA LEU 78 -3.698 -3.324 -13.350 636 HB2 LEU 78 2HB LEU 78 -2.677 -1.833 -10.910 637 HB3 LEU 78 1HB LEU 78 -3.926 -1.234 -11.993 638 HG LEU 78 HG LEU 78 -4.124 -3.715 -10.235 639 HD11 LEU 78 1HD1 LEU 78 -5.571 -1.060 -10.034 640 HD12 LEU 78 2HD1 LEU 78 -4.301 -1.647 -8.955 641 HD13 LEU 78 3HD1 LEU 78 -5.852 -2.479 -9.019 642 HD21 LEU 78 1HD2 LEU 78 -6.184 -2.561 -12.141 643 HD22 LEU 78 2HD2 LEU 78 -6.450 -3.886 -11.005 644 HD23 LEU 78 3HD2 LEU 78 -5.314 -4.087 -12.333 645 H LYS 79 H LYS 79 -0.302 -2.481 -12.510 646 HA LYS 79 HA LYS 79 -0.001 -0.204 -14.167 647 HB2 LYS 79 2HB LYS 79 2.134 -2.312 -13.589 648 HB3 LYS 79 1HB LYS 79 2.436 -0.685 -14.189 649 HG2 LYS 79 2HG LYS 79 1.281 -1.350 -11.473 650 HG3 LYS 79 1HG LYS 79 2.966 -0.978 -11.790 651 HD2 LYS 79 2HD LYS 79 2.294 1.269 -12.579 652 HD3 LYS 79 1HD LYS 79 0.616 0.896 -12.196 653 HE2 LYS 79 2HE LYS 79 2.849 0.868 -10.141 654 HE3 LYS 79 1HE LYS 79 1.835 2.275 -10.462 655 HZ1 LYS 79 1HZ LYS 79 -0.105 0.935 -9.888 656 HZ2 LYS 79 2HZ LYS 79 0.982 1.054 -8.604 657 HZ3 LYS 79 3HZ LYS 79 0.897 -0.374 -9.509 658 H GLY 80 H GLY 80 0.380 -3.662 -14.815 659 HA2 GLY 80 2HA GLY 80 1.146 -3.503 -17.552 660 HA3 GLY 80 1HA GLY 80 0.502 -4.912 -16.730 661 H LEU 81 H LEU 81 -1.989 -3.902 -15.952 662 HA LEU 81 HA LEU 81 -3.459 -4.462 -18.340 663 HB2 LEU 81 2HB LEU 81 -3.925 -4.943 -15.703 664 HB3 LEU 81 1HB LEU 81 -4.901 -3.500 -15.878 665 HG LEU 81 HG LEU 81 -5.239 -6.084 -17.461 666 HD11 LEU 81 1HD1 LEU 81 -6.969 -4.952 -15.245 667 HD12 LEU 81 2HD1 LEU 81 -5.919 -6.368 -15.144 668 HD13 LEU 81 3HD1 LEU 81 -7.323 -6.393 -16.207 669 HD21 LEU 81 1HD2 LEU 81 -5.934 -4.275 -18.877 670 HD22 LEU 81 2HD2 LEU 81 -6.864 -3.527 -17.580 671 HD23 LEU 81 3HD2 LEU 81 -7.387 -5.070 -18.270 672 H LEU 82 H LEU 82 -2.703 -1.541 -16.527 673 HA LEU 82 HA LEU 82 -4.661 0.167 -17.760 674 HB2 LEU 82 2HB LEU 82 -2.208 0.736 -16.051 675 HB3 LEU 82 1HB LEU 82 -3.211 2.025 -16.699 676 HG LEU 82 HG LEU 82 -4.194 -0.143 -14.800 677 HD11 LEU 82 1HD1 LEU 82 -3.546 2.760 -14.201 678 HD12 LEU 82 2HD1 LEU 82 -2.629 1.349 -13.665 679 HD13 LEU 82 3HD1 LEU 82 -4.271 1.601 -13.083 680 HD21 LEU 82 1HD2 LEU 82 -6.218 1.287 -14.609 681 HD22 LEU 82 2HD2 LEU 82 -5.995 0.601 -16.217 682 HD23 LEU 82 3HD2 LEU 82 -5.602 2.302 -15.918 683 H GLN 83 H GLN 83 -1.239 -0.587 -18.349 684 HA GLN 83 HA GLN 83 -1.411 0.396 -21.057 685 HB2 GLN 83 2HB GLN 83 -0.971 2.451 -19.501 686 HB3 GLN 83 1HB GLN 83 0.647 1.807 -19.311 687 HG2 GLN 83 2HG GLN 83 -0.557 2.524 -22.000 688 HG3 GLN 83 1HG GLN 83 0.355 3.662 -21.017 689 HE21 GLN 83 1HE2 GLN 83 2.592 3.268 -20.672 690 HE22 GLN 83 2HE2 GLN 83 3.501 2.318 -21.792 691 H GLN 84 H GLN 84 1.335 -0.035 -18.737 692 HA GLN 84 HA GLN 84 2.301 -2.371 -20.207 693 HB2 GLN 84 2HB GLN 84 3.074 -0.446 -21.597 694 HB3 GLN 84 1HB GLN 84 3.894 0.239 -20.201 695 HG2 GLN 84 2HG GLN 84 5.394 -1.733 -20.130 696 HG3 GLN 84 1HG GLN 84 4.578 -2.399 -21.540 697 HE21 GLN 84 1HE2 GLN 84 5.386 1.041 -21.141 698 HE22 GLN 84 2HE2 GLN 84 6.566 1.073 -22.402 699 H ARG 85 H ARG 85 3.819 0.151 -18.117 700 HA ARG 85 HA ARG 85 3.875 -1.500 -15.782 701 HB2 ARG 85 2HB ARG 85 5.638 -2.576 -17.306 702 HB3 ARG 85 1HB ARG 85 6.591 -1.109 -17.125 703 HG2 ARG 85 2HG ARG 85 6.923 -1.518 -14.771 704 HG3 ARG 85 1HG ARG 85 5.700 -2.796 -14.759 705 HD2 ARG 85 2HD ARG 85 8.423 -2.879 -16.104 706 HD3 ARG 85 1HD ARG 85 7.876 -3.850 -14.732 707 HE ARG 85 HE ARG 85 6.627 -4.069 -17.407 708 HH11 ARG 85 1HH1 ARG 85 8.175 -5.680 -14.688 709 HH12 ARG 85 2HH1 ARG 85 7.859 -7.266 -15.312 710 HH21 ARG 85 1HH2 ARG 85 6.196 -6.120 -18.191 711 HH22 ARG 85 2HH2 ARG 85 6.731 -7.518 -17.311 712 H LEU 86 H LEU 86 4.679 -0.366 -13.956 713 HA LEU 86 HA LEU 86 4.849 1.426 -12.609 714 HB2 LEU 86 2HB LEU 86 6.377 2.635 -14.939 715 HB3 LEU 86 1HB LEU 86 6.265 3.384 -13.360 716 HG LEU 86 HG LEU 86 7.638 0.731 -13.966 717 HD11 LEU 86 1HD1 LEU 86 8.824 3.416 -13.184 718 HD12 LEU 86 2HD1 LEU 86 8.850 2.715 -14.807 719 HD13 LEU 86 3HD1 LEU 86 9.713 1.918 -13.496 720 HD21 LEU 86 1HD2 LEU 86 7.476 2.242 -11.332 721 HD22 LEU 86 2HD2 LEU 86 8.414 0.778 -11.641 722 HD23 LEU 86 3HD2 LEU 86 6.655 0.725 -11.706 723 H ASP 87 H ASP 87 2.741 1.370 -15.034 724 HA ASP 87 HA ASP 87 2.005 4.185 -15.155 725 HB2 ASP 87 2HB ASP 87 1.934 2.819 -17.240 726 HB3 ASP 87 1HB ASP 87 0.670 1.817 -16.519 727 H GLU 88 H GLU 88 1.288 4.677 -13.213 728 HA GLU 88 HA GLU 88 -0.668 3.114 -11.689 729 HB2 GLU 88 2HB GLU 88 -0.175 4.925 -9.938 730 HB3 GLU 88 1HB GLU 88 1.189 3.926 -10.426 731 HG2 GLU 88 2HG GLU 88 1.637 5.902 -12.143 732 HG3 GLU 88 1HG GLU 88 0.669 6.834 -11.006 733 H LEU 89 H LEU 89 -2.615 4.099 -10.813 734 HA LEU 89 HA LEU 89 -4.345 5.188 -12.670 735 HB2 LEU 89 2HB LEU 89 -4.478 5.369 -9.634 736 HB3 LEU 89 1HB LEU 89 -5.809 5.817 -10.685 737 HG LEU 89 HG LEU 89 -4.642 3.010 -10.451 738 HD11 LEU 89 1HD1 LEU 89 -7.263 4.102 -9.373 739 HD12 LEU 89 2HD1 LEU 89 -5.841 3.685 -8.414 740 HD13 LEU 89 3HD1 LEU 89 -6.711 2.425 -9.282 741 HD21 LEU 89 1HD2 LEU 89 -5.556 3.414 -12.695 742 HD22 LEU 89 2HD2 LEU 89 -7.081 3.967 -11.998 743 HD23 LEU 89 3HD2 LEU 89 -6.573 2.287 -11.797 744 H SER 90 H SER 90 -2.457 6.894 -10.206 745 HA SER 90 HA SER 90 -2.413 9.282 -11.887 746 HB2 SER 90 2HB SER 90 -4.286 9.713 -10.335 747 HB3 SER 90 1HB SER 90 -3.244 9.367 -8.958 748 HG SER 90 HG SER 90 -2.174 11.273 -10.580 749 H SER 91 H SER 91 -0.414 10.061 -11.976 750 HA SER 91 HA SER 91 1.800 8.926 -10.640 751 HB2 SER 91 2HB SER 91 1.639 11.560 -12.167 752 HB3 SER 91 1HB SER 91 3.111 10.650 -11.820 753 HG SER 91 HG SER 91 2.300 8.965 -13.116 754 H LEU 92 H LEU 92 2.263 9.223 -8.544 755 HA LEU 92 HA LEU 92 1.004 11.087 -6.864 756 HB2 LEU 92 2HB LEU 92 3.542 9.496 -6.382 757 HB3 LEU 92 1HB LEU 92 2.643 10.334 -5.128 758 HG LEU 92 HG LEU 92 1.577 8.001 -6.780 759 HD11 LEU 92 1HD1 LEU 92 2.489 8.044 -3.885 760 HD12 LEU 92 2HD1 LEU 92 3.342 7.289 -5.235 761 HD13 LEU 92 3HD1 LEU 92 1.769 6.674 -4.740 762 HD21 LEU 92 1HD2 LEU 92 0.325 9.453 -4.423 763 HD22 LEU 92 2HD2 LEU 92 -0.312 8.004 -5.206 764 HD23 LEU 92 3HD2 LEU 92 -0.221 9.516 -6.103 765 H ILE 93 H ILE 93 4.503 11.001 -7.684 766 HA ILE 93 HA ILE 93 4.643 13.945 -7.292 767 HB ILE 93 HB ILE 93 6.915 11.958 -6.800 768 HG12 ILE 93 2HG1 ILE 93 5.186 13.349 -4.700 769 HG13 ILE 93 1HG1 ILE 93 5.053 11.651 -5.141 770 HG21 ILE 93 1HG2 ILE 93 7.687 14.220 -7.404 771 HG22 ILE 93 2HG2 ILE 93 8.060 13.875 -5.716 772 HG23 ILE 93 3HG2 ILE 93 6.695 14.918 -6.121 773 HD11 ILE 93 1HD1 ILE 93 7.434 12.973 -3.846 774 HD12 ILE 93 2HD1 ILE 93 7.340 11.278 -4.332 775 HD13 ILE 93 3HD1 ILE 93 6.264 11.897 -3.081 776 H GLY 94 H GLY 94 3.983 13.927 -9.592 777 HA2 GLY 94 2HA GLY 94 4.599 14.718 -11.656 778 HA3 GLY 94 1HA GLY 94 6.285 14.472 -11.239 779 H GLN 95 H GLN 95 7.073 12.220 -11.342 780 HA GLN 95 HA GLN 95 6.119 10.828 -13.742 781 HB2 GLN 95 2HB GLN 95 8.654 10.775 -12.071 782 HB3 GLN 95 1HB GLN 95 8.318 9.437 -13.160 783 HG2 GLN 95 2HG GLN 95 9.866 11.239 -14.050 784 HG3 GLN 95 1HG GLN 95 8.510 10.806 -15.087 785 HE21 GLN 95 1HE2 GLN 95 9.729 13.241 -12.845 786 HE22 GLN 95 2HE2 GLN 95 8.774 14.545 -13.452 787 H SER 96 H SER 96 6.700 8.293 -13.419 788 HA SER 96 HA SER 96 4.719 7.115 -11.816 789 HB2 SER 96 2HB SER 96 7.176 5.894 -13.127 790 HB3 SER 96 1HB SER 96 5.816 4.978 -12.478 791 HG SER 96 HG SER 96 4.556 5.639 -14.082 792 H THR 97 H THR 97 4.830 7.535 -9.700 793 HA THR 97 HA THR 97 7.356 7.334 -8.204 794 HB THR 97 HB THR 97 4.705 8.627 -7.462 795 HG1 THR 97 HG1 THR 97 6.188 9.569 -9.152 796 HG21 THR 97 1HG2 THR 97 5.926 9.658 -5.565 797 HG22 THR 97 2HG2 THR 97 7.364 8.726 -5.982 798 HG23 THR 97 3HG2 THR 97 5.910 7.897 -5.420 799 H ARG 98 H ARG 98 3.994 6.151 -8.205 800 HA ARG 98 HA ARG 98 3.708 5.229 -5.639 801 HB2 ARG 98 2HB ARG 98 1.937 5.451 -7.426 802 HB3 ARG 98 1HB ARG 98 2.512 3.963 -8.148 803 HG2 ARG 98 2HG ARG 98 1.318 4.153 -5.361 804 HG3 ARG 98 1HG ARG 98 0.396 3.760 -6.808 805 HD2 ARG 98 2HD ARG 98 2.027 1.784 -7.110 806 HD3 ARG 98 1HD ARG 98 2.560 2.126 -5.462 807 HE ARG 98 HE ARG 98 -0.283 1.807 -5.719 808 HH11 ARG 98 1HH1 ARG 98 2.750 0.034 -5.263 809 HH12 ARG 98 2HH1 ARG 98 1.956 -1.335 -4.557 810 HH21 ARG 98 1HH2 ARG 98 -1.265 -0.003 -4.943 811 HH22 ARG 98 2HH2 ARG 98 -0.326 -1.350 -4.378 812 H GLN 99 H GLN 99 4.772 3.232 -8.448 813 HA GLN 99 HA GLN 99 4.893 0.842 -6.852 814 HB2 GLN 99 2HB GLN 99 4.349 0.890 -9.325 815 HB3 GLN 99 1HB GLN 99 6.035 1.281 -9.642 816 HG2 GLN 99 2HG GLN 99 6.699 -0.867 -8.553 817 HG3 GLN 99 1HG GLN 99 4.994 -1.265 -8.353 818 HE21 GLN 99 1HE2 GLN 99 6.987 -2.761 -9.788 819 HE22 GLN 99 2HE2 GLN 99 6.474 -2.857 -11.433 820 H LYS 100 H LYS 100 7.224 3.098 -8.215 821 HA LYS 100 HA LYS 100 9.603 1.658 -7.637 822 HB2 LYS 100 2HB LYS 100 9.367 3.382 -9.417 823 HB3 LYS 100 1HB LYS 100 9.172 4.625 -8.188 824 HG2 LYS 100 2HG LYS 100 11.478 4.274 -7.416 825 HG3 LYS 100 1HG LYS 100 11.672 2.931 -8.548 826 HD2 LYS 100 2HD LYS 100 12.747 4.918 -9.459 827 HD3 LYS 100 1HD LYS 100 11.345 4.509 -10.449 828 HE2 LYS 100 2HE LYS 100 11.408 6.911 -10.135 829 HE3 LYS 100 1HE LYS 100 10.040 6.280 -9.215 830 HZ1 LYS 100 1HZ LYS 100 12.706 6.958 -8.080 831 HZ2 LYS 100 2HZ LYS 100 11.358 6.433 -7.203 832 HZ3 LYS 100 3HZ LYS 100 11.328 7.931 -7.980 833 H SER 101 H SER 101 7.976 4.363 -6.027 834 HA SER 101 HA SER 101 9.880 4.836 -3.986 835 HB2 SER 101 2HB SER 101 8.272 6.576 -4.713 836 HB3 SER 101 1HB SER 101 6.928 5.612 -4.105 837 HG SER 101 HG SER 101 7.344 6.304 -2.158 838 H LEU 102 H LEU 102 6.818 2.976 -4.131 839 HA LEU 102 HA LEU 102 6.827 2.346 -1.331 840 HB2 LEU 102 2HB LEU 102 4.848 2.386 -3.171 841 HB3 LEU 102 1HB LEU 102 5.222 0.676 -3.250 842 HG LEU 102 HG LEU 102 4.848 0.549 -0.744 843 HD11 LEU 102 1HD1 LEU 102 5.274 2.854 -0.146 844 HD12 LEU 102 2HD1 LEU 102 3.636 2.420 0.337 845 HD13 LEU 102 3HD1 LEU 102 3.896 3.405 -1.105 846 HD21 LEU 102 1HD2 LEU 102 2.472 1.502 -2.375 847 HD22 LEU 102 2HD2 LEU 102 2.396 0.604 -0.856 848 HD23 LEU 102 3HD2 LEU 102 3.084 -0.153 -2.292 849 H ASN 103 H ASN 103 7.997 0.732 -4.233 850 HA ASN 103 HA ASN 103 8.692 -1.788 -3.103 851 HB2 ASN 103 2HB ASN 103 8.534 -1.447 -5.547 852 HB3 ASN 103 1HB ASN 103 9.879 -0.312 -5.502 853 HD21 ASN 103 1HD2 ASN 103 11.986 -1.125 -5.370 854 HD22 ASN 103 2HD2 ASN 103 12.356 -2.804 -5.538 855 H ASN 104 H ASN 104 10.413 1.283 -3.510 856 HA ASN 104 HA ASN 104 12.871 0.431 -2.318 857 HB2 ASN 104 2HB ASN 104 12.765 2.344 -3.900 858 HB3 ASN 104 1HB ASN 104 11.798 3.255 -2.745 859 HD21 ASN 104 1HD2 ASN 104 14.997 1.890 -3.350 860 HD22 ASN 104 2HD2 ASN 104 15.840 2.899 -2.229 861 H ALA 105 H ALA 105 9.839 1.759 -1.086 862 HA ALA 105 HA ALA 105 10.698 2.464 1.536 863 HB1 ALA 105 1HB ALA 105 7.931 1.640 0.582 864 HB2 ALA 105 2HB ALA 105 8.581 3.281 0.579 865 HB3 ALA 105 3HB ALA 105 8.303 2.450 2.110 866 H TYR 106 H TYR 106 9.354 -0.516 0.119 867 HA TYR 106 HA TYR 106 9.424 -2.182 2.388 868 HB2 TYR 106 2HB TYR 106 8.400 -2.727 0.089 869 HB3 TYR 106 1HB TYR 106 10.024 -3.076 -0.476 870 HD1 TYR 106 HD1 TYR 106 11.260 -4.799 1.522 871 HD2 TYR 106 HD2 TYR 106 7.159 -4.702 0.356 872 HE1 TYR 106 HE1 TYR 106 11.007 -7.107 2.262 873 HE2 TYR 106 HE2 TYR 106 6.915 -7.014 1.119 874 HH TYR 106 HH TYR 106 9.291 -8.616 2.989 875 H GLY 107 H GLY 107 11.884 -1.480 -0.115 876 HA2 GLY 107 2HA GLY 107 13.983 -3.108 0.771 877 HA3 GLY 107 1HA GLY 107 14.171 -1.625 -0.150 878 H ARG 108 H ARG 108 13.139 0.200 1.694 879 HA ARG 108 HA ARG 108 15.338 0.679 3.427 880 HB2 ARG 108 2HB ARG 108 12.597 1.983 3.185 881 HB3 ARG 108 1HB ARG 108 13.809 2.547 4.327 882 HG2 ARG 108 2HG ARG 108 14.293 2.435 1.335 883 HG3 ARG 108 1HG ARG 108 13.607 3.839 2.148 884 HD2 ARG 108 2HD ARG 108 15.970 4.209 1.824 885 HD3 ARG 108 1HD ARG 108 15.669 3.989 3.549 886 HE ARG 108 HE ARG 108 16.583 1.701 1.938 887 HH11 ARG 108 1HH1 ARG 108 17.320 4.037 4.475 888 HH12 ARG 108 2HH1 ARG 108 18.732 3.179 5.005 889 HH21 ARG 108 1HH2 ARG 108 18.457 0.627 2.641 890 HH22 ARG 108 2HH2 ARG 108 19.369 1.262 3.973 891 H LEU 109 H LEU 109 12.106 -0.715 3.837 892 HA LEU 109 HA LEU 109 12.115 -0.862 6.684 893 HB2 LEU 109 2HB LEU 109 10.052 -0.999 5.332 894 HB3 LEU 109 1HB LEU 109 10.574 -2.543 4.677 895 HG LEU 109 HG LEU 109 10.446 -3.534 6.984 896 HD11 LEU 109 1HD1 LEU 109 10.798 -1.528 8.341 897 HD12 LEU 109 2HD1 LEU 109 9.295 -2.328 8.793 898 HD13 LEU 109 3HD1 LEU 109 9.252 -0.866 7.804 899 HD21 LEU 109 1HD2 LEU 109 8.582 -3.763 5.425 900 HD22 LEU 109 2HD2 LEU 109 7.877 -2.260 6.028 901 HD23 LEU 109 3HD2 LEU 109 8.016 -3.661 7.092 902 H SER 110 H SER 110 13.346 -2.949 4.158 903 HA SER 110 HA SER 110 13.934 -5.216 5.797 904 HB2 SER 110 2HB SER 110 13.638 -5.387 3.325 905 HB3 SER 110 1HB SER 110 15.090 -4.414 3.084 906 HG SER 110 HG SER 110 15.563 -6.526 4.735 907 H GLY 111 H GLY 111 15.775 -2.341 4.674 908 HA2 GLY 111 2HA GLY 111 18.245 -3.308 5.910 909 HA3 GLY 111 1HA GLY 111 18.048 -1.848 4.963 910 H MET 112 H MET 112 16.433 -0.189 6.202 911 HA MET 112 HA MET 112 17.791 0.295 8.753 912 HB2 MET 112 2HB MET 112 16.877 2.021 6.595 913 HB3 MET 112 1HB MET 112 16.100 2.536 8.083 914 HG2 MET 112 2HG MET 112 19.060 2.347 7.529 915 HG3 MET 112 1HG MET 112 18.108 3.797 7.841 916 HE1 MET 112 1HE MET 112 16.285 2.682 10.379 917 HE2 MET 112 2HE MET 112 17.002 4.295 10.336 918 HE3 MET 112 3HE MET 112 17.277 3.245 11.724 919 H LEU 113 H LEU 113 14.448 0.831 7.611 920 HA LEU 113 HA LEU 113 12.761 -0.450 9.221 921 HB2 LEU 113 2HB LEU 113 14.112 1.626 10.906 922 HB3 LEU 113 1HB LEU 113 12.366 1.675 11.012 923 HG LEU 113 HG LEU 113 14.189 -0.622 11.803 924 HD11 LEU 113 1HD1 LEU 113 14.017 1.171 13.455 925 HD12 LEU 113 2HD1 LEU 113 13.234 -0.297 14.033 926 HD13 LEU 113 3HD1 LEU 113 12.254 1.047 13.435 927 HD21 LEU 113 1HD2 LEU 113 11.151 -0.624 11.682 928 HD22 LEU 113 2HD2 LEU 113 12.155 -1.883 12.406 929 HD23 LEU 113 3HD2 LEU 113 12.242 -1.581 10.674 930 H LEU 114 H LEU 114 12.804 0.748 6.777 931 HA LEU 114 HA LEU 114 11.327 1.544 5.276 932 HB2 LEU 114 2HB LEU 114 9.693 0.960 7.328 933 HB3 LEU 114 1HB LEU 114 9.436 2.685 7.314 934 HG LEU 114 HG LEU 114 8.993 0.978 4.838 935 HD11 LEU 114 1HD1 LEU 114 7.617 0.052 6.650 936 HD12 LEU 114 2HD1 LEU 114 6.625 0.815 5.412 937 HD13 LEU 114 3HD1 LEU 114 6.912 1.645 6.944 938 HD21 LEU 114 1HD2 LEU 114 7.881 3.702 5.612 939 HD22 LEU 114 2HD2 LEU 114 7.487 2.809 4.139 940 HD23 LEU 114 3HD2 LEU 114 9.129 3.389 4.403 941 H VAL 115 H VAL 115 12.855 3.433 7.547 942 HA VAL 115 HA VAL 115 12.145 6.060 6.502 943 HB VAL 115 HB VAL 115 13.725 6.870 8.297 944 HG11 VAL 115 1HG1 VAL 115 11.336 6.671 8.799 945 HG12 VAL 115 2HG1 VAL 115 12.294 6.264 10.220 946 HG13 VAL 115 3HG1 VAL 115 11.547 4.980 9.269 947 HG21 VAL 115 1HG2 VAL 115 14.595 5.262 9.980 948 HG22 VAL 115 2HG2 VAL 115 15.271 4.959 8.380 949 HG23 VAL 115 3HG2 VAL 115 13.992 3.915 9.005 950 HA PRO 116 HA PRO 116 15.508 6.619 3.597 951 HB2 PRO 116 2HB PRO 116 16.258 9.090 5.169 952 HB3 PRO 116 1HB PRO 116 15.974 8.909 3.422 953 HG2 PRO 116 2HG PRO 116 14.114 10.039 4.925 954 HG3 PRO 116 1HG PRO 116 13.638 8.875 3.664 955 HD2 PRO 116 2HD PRO 116 13.826 8.456 6.643 956 HD3 PRO 116 1HD PRO 116 12.603 7.859 5.495 957 H ASP 117 H ASP 117 16.435 7.267 6.998 958 HA ASP 117 HA ASP 117 18.675 5.478 6.957 959 HB2 ASP 117 2HB ASP 117 20.501 7.085 7.224 960 HB3 ASP 117 1HB ASP 117 19.673 7.397 5.703 961 H ALA 118 H ALA 118 16.965 8.140 8.574 962 HA ALA 118 HA ALA 118 17.664 6.980 11.220 963 HB1 ALA 118 1HB ALA 118 18.762 9.167 10.882 964 HB2 ALA 118 2HB ALA 118 17.531 9.274 12.142 965 HB3 ALA 118 3HB ALA 118 17.201 9.914 10.530 966 HA PRO 119 HA PRO 119 13.109 6.736 11.559 967 HB2 PRO 119 2HB PRO 119 12.929 5.559 13.998 968 HB3 PRO 119 1HB PRO 119 13.593 4.678 12.605 969 HG2 PRO 119 2HG PRO 119 15.052 5.986 14.869 970 HG3 PRO 119 1HG PRO 119 15.386 4.439 14.061 971 HD2 PRO 119 2HD PRO 119 16.710 6.838 13.503 972 HD3 PRO 119 1HD PRO 119 16.646 5.439 12.411 973 H GLY 120 H GLY 120 13.823 9.226 11.671 974 HA2 GLY 120 2HA GLY 120 12.870 11.198 12.504 975 HA3 GLY 120 1HA GLY 120 12.673 10.452 14.082 976 H ALA 121 H ALA 121 13.870 11.627 15.453 977 HA ALA 121 HA ALA 121 15.602 12.609 16.532 978 HB1 ALA 121 1HB ALA 121 17.372 10.986 14.678 979 HB2 ALA 121 2HB ALA 121 16.700 10.424 16.207 980 HB3 ALA 121 3HB ALA 121 17.872 11.744 16.194 981 H SER 122 H SER 122 14.581 13.672 13.824 982 HA SER 122 HA SER 122 16.763 15.574 13.181 983 HB2 SER 122 2HB SER 122 14.625 14.492 11.289 984 HB3 SER 122 1HB SER 122 15.943 15.584 10.866 985 HG SER 122 HG SER 122 16.616 13.140 12.046 Start of MODEL 6 1 H1 MET 1 1H MET 1 -0.522 2.970 22.123 2 H2 MET 1 2H MET 1 0.579 1.757 22.516 3 H3 MET 1 3H MET 1 -0.613 1.470 21.351 4 HA MET 1 HA MET 1 1.579 3.444 21.142 5 HB2 MET 1 2HB MET 1 2.498 1.895 19.368 6 HB3 MET 1 1HB MET 1 2.548 1.241 20.994 7 HG2 MET 1 2HG MET 1 0.628 -0.188 20.518 8 HG3 MET 1 1HG MET 1 0.467 0.528 18.913 9 HE1 MET 1 1HE MET 1 0.583 -2.620 19.217 10 HE2 MET 1 2HE MET 1 1.761 -3.039 17.973 11 HE3 MET 1 3HE MET 1 0.543 -1.806 17.651 12 H THR 2 H THR 2 -0.010 5.053 20.609 13 HA THR 2 HA THR 2 -2.152 4.767 18.860 14 HB THR 2 HB THR 2 -0.612 7.337 19.442 15 HG1 THR 2 HG1 THR 2 -2.972 6.885 20.779 16 HG21 THR 2 1HG2 THR 2 -2.188 7.613 17.531 17 HG22 THR 2 2HG2 THR 2 -2.735 8.505 18.950 18 HG23 THR 2 3HG2 THR 2 -3.501 6.973 18.528 19 H SER 3 H SER 3 0.967 6.382 18.078 20 HA SER 3 HA SER 3 0.364 6.892 15.368 21 HB2 SER 3 2HB SER 3 3.112 6.722 16.682 22 HB3 SER 3 1HB SER 3 2.710 7.580 15.191 23 HG SER 3 HG SER 3 1.174 8.794 16.573 24 H THR 4 H THR 4 1.779 4.093 16.938 25 HA THR 4 HA THR 4 2.865 2.880 14.566 26 HB THR 4 HB THR 4 2.329 1.588 17.278 27 HG1 THR 4 HG1 THR 4 4.601 2.147 17.590 28 HG21 THR 4 1HG2 THR 4 4.165 0.046 16.642 29 HG22 THR 4 2HG2 THR 4 4.284 0.826 15.064 30 HG23 THR 4 3HG2 THR 4 2.827 -0.072 15.496 31 H VAL 5 H VAL 5 -0.150 2.511 16.436 32 HA VAL 5 HA VAL 5 -1.200 0.328 14.899 33 HB VAL 5 HB VAL 5 -2.533 2.314 16.795 34 HG11 VAL 5 1HG1 VAL 5 -4.570 0.896 16.747 35 HG12 VAL 5 2HG1 VAL 5 -3.867 -0.070 15.448 36 HG13 VAL 5 3HG1 VAL 5 -4.253 1.629 15.172 37 HG21 VAL 5 1HG2 VAL 5 -1.868 -0.642 17.096 38 HG22 VAL 5 2HG2 VAL 5 -2.676 0.354 18.311 39 HG23 VAL 5 3HG2 VAL 5 -1.007 0.700 17.853 40 H GLU 6 H GLU 6 -1.524 3.869 14.738 41 HA GLU 6 HA GLU 6 -3.301 4.083 12.566 42 HB2 GLU 6 2HB GLU 6 -0.997 5.898 13.411 43 HB3 GLU 6 1HB GLU 6 -2.209 6.342 12.214 44 HG2 GLU 6 2HG GLU 6 -2.735 5.741 15.134 45 HG3 GLU 6 1HG GLU 6 -2.673 7.344 14.409 46 H PHE 7 H PHE 7 0.232 3.907 12.705 47 HA PHE 7 HA PHE 7 1.004 4.038 10.060 48 HB2 PHE 7 2HB PHE 7 2.590 4.111 11.890 49 HB3 PHE 7 1HB PHE 7 2.125 2.519 12.444 50 HD1 PHE 7 HD1 PHE 7 3.911 4.345 9.740 51 HD2 PHE 7 HD2 PHE 7 3.254 0.572 11.657 52 HE1 PHE 7 HE1 PHE 7 5.835 3.388 8.552 53 HE2 PHE 7 HE2 PHE 7 5.169 -0.374 10.451 54 HZ PHE 7 HZ PHE 7 6.460 1.030 8.911 55 H ILE 8 H ILE 8 0.401 1.007 11.918 56 HA ILE 8 HA ILE 8 0.694 -0.792 9.768 57 HB ILE 8 HB ILE 8 -0.940 -1.205 12.322 58 HG12 ILE 8 2HG1 ILE 8 1.962 -1.994 11.757 59 HG13 ILE 8 1HG1 ILE 8 1.469 -0.628 12.750 60 HG21 ILE 8 1HG2 ILE 8 0.168 -3.285 10.390 61 HG22 ILE 8 2HG2 ILE 8 -1.534 -2.866 10.594 62 HG23 ILE 8 3HG2 ILE 8 -0.652 -3.637 11.914 63 HD11 ILE 8 1HD1 ILE 8 0.964 -3.542 13.322 64 HD12 ILE 8 2HD1 ILE 8 0.351 -2.200 14.295 65 HD13 ILE 8 3HD1 ILE 8 2.088 -2.465 14.152 66 H ASN 9 H ASN 9 -2.200 0.759 11.167 67 HA ASN 9 HA ASN 9 -4.150 -0.667 9.686 68 HB2 ASN 9 2HB ASN 9 -4.610 0.593 11.813 69 HB3 ASN 9 1HB ASN 9 -4.433 2.102 10.928 70 HD21 ASN 9 1HD2 ASN 9 -6.085 -0.875 9.822 71 HD22 ASN 9 2HD2 ASN 9 -7.654 -0.161 9.737 72 H ARG 10 H ARG 10 -2.287 2.211 8.989 73 HA ARG 10 HA ARG 10 -3.789 2.949 6.639 74 HB2 ARG 10 2HB ARG 10 -1.226 3.952 7.899 75 HB3 ARG 10 1HB ARG 10 -1.680 4.461 6.281 76 HG2 ARG 10 2HG ARG 10 -3.836 5.324 7.163 77 HG3 ARG 10 1HG ARG 10 -3.328 4.878 8.791 78 HD2 ARG 10 2HD ARG 10 -1.473 6.476 8.682 79 HD3 ARG 10 1HD ARG 10 -1.872 6.856 7.002 80 HE ARG 10 HE ARG 10 -3.878 7.923 7.736 81 HH11 ARG 10 1HH1 ARG 10 -1.747 7.080 10.401 82 HH12 ARG 10 2HH1 ARG 10 -2.494 8.188 11.502 83 HH21 ARG 10 1HH2 ARG 10 -4.874 9.330 9.205 84 HH22 ARG 10 2HH2 ARG 10 -4.264 9.463 10.824 85 H TRP 11 H TRP 11 -0.831 1.051 7.281 86 HA TRP 11 HA TRP 11 -0.307 0.493 4.515 87 HB2 TRP 11 2HB TRP 11 0.559 -0.918 7.064 88 HB3 TRP 11 1HB TRP 11 0.984 -1.540 5.470 89 HD1 TRP 11 HD1 TRP 11 2.280 0.762 8.054 90 HE1 TRP 11 HE1 TRP 11 4.230 2.143 7.123 91 HE3 TRP 11 HE3 TRP 11 1.663 -0.148 3.048 92 HZ2 TRP 11 HZ2 TRP 11 5.375 2.778 4.643 93 HZ3 TRP 11 HZ3 TRP 11 3.230 0.903 1.460 94 HH2 TRP 11 HH2 TRP 11 5.049 2.340 2.245 95 H GLN 12 H GLN 12 -2.437 -0.958 6.927 96 HA GLN 12 HA GLN 12 -3.326 -3.194 5.445 97 HB2 GLN 12 2HB GLN 12 -4.969 -1.512 7.407 98 HB3 GLN 12 1HB GLN 12 -5.390 -3.118 6.822 99 HG2 GLN 12 2HG GLN 12 -3.283 -3.954 7.936 100 HG3 GLN 12 1HG GLN 12 -3.118 -2.371 8.671 101 HE21 GLN 12 1HE2 GLN 12 -4.977 -5.332 8.606 102 HE22 GLN 12 2HE2 GLN 12 -5.828 -5.047 10.087 103 H ARG 13 H ARG 13 -4.404 0.171 5.682 104 HA ARG 13 HA ARG 13 -6.628 0.142 4.026 105 HB2 ARG 13 2HB ARG 13 -6.035 2.032 5.508 106 HB3 ARG 13 1HB ARG 13 -4.638 2.398 4.506 107 HG2 ARG 13 2HG ARG 13 -6.323 3.996 3.951 108 HG3 ARG 13 1HG ARG 13 -6.231 2.874 2.594 109 HD2 ARG 13 2HD ARG 13 -8.230 1.668 3.546 110 HD3 ARG 13 1HD ARG 13 -8.356 2.929 4.775 111 HE ARG 13 HE ARG 13 -9.346 3.032 2.136 112 HH11 ARG 13 1HH1 ARG 13 -7.753 5.189 4.434 113 HH12 ARG 13 2HH1 ARG 13 -8.417 6.618 3.715 114 HH21 ARG 13 1HH2 ARG 13 -10.158 4.936 1.203 115 HH22 ARG 13 2HH2 ARG 13 -9.770 6.474 1.899 116 H ILE 14 H ILE 14 -3.202 0.879 3.118 117 HA ILE 14 HA ILE 14 -3.703 1.315 0.353 118 HB ILE 14 HB ILE 14 -1.078 0.330 1.587 119 HG12 ILE 14 2HG1 ILE 14 -1.960 3.220 1.100 120 HG13 ILE 14 1HG1 ILE 14 -1.891 2.442 2.677 121 HG21 ILE 14 1HG2 ILE 14 -1.137 0.118 -0.874 122 HG22 ILE 14 2HG2 ILE 14 0.003 1.367 -0.383 123 HG23 ILE 14 3HG2 ILE 14 -1.578 1.820 -1.024 124 HD11 ILE 14 1HD1 ILE 14 0.490 2.905 0.875 125 HD12 ILE 14 2HD1 ILE 14 0.514 2.217 2.503 126 HD13 ILE 14 3HD1 ILE 14 0.029 3.892 2.259 127 H ALA 15 H ALA 15 -2.681 -1.602 2.167 128 HA ALA 15 HA ALA 15 -2.343 -3.447 0.096 129 HB1 ALA 15 1HB ALA 15 -1.681 -3.875 2.440 130 HB2 ALA 15 2HB ALA 15 -2.686 -5.187 1.820 131 HB3 ALA 15 3HB ALA 15 -3.375 -3.980 2.912 132 H LEU 16 H LEU 16 -5.244 -2.512 1.832 133 HA LEU 16 HA LEU 16 -6.933 -4.590 0.723 134 HB2 LEU 16 2HB LEU 16 -7.584 -2.222 2.524 135 HB3 LEU 16 1HB LEU 16 -8.749 -3.453 2.063 136 HG LEU 16 HG LEU 16 -6.235 -3.956 3.702 137 HD11 LEU 16 1HD1 LEU 16 -9.120 -3.830 4.621 138 HD12 LEU 16 2HD1 LEU 16 -7.862 -2.638 4.955 139 HD13 LEU 16 3HD1 LEU 16 -7.727 -4.265 5.618 140 HD21 LEU 16 1HD2 LEU 16 -8.489 -5.860 3.002 141 HD22 LEU 16 2HD2 LEU 16 -7.150 -6.199 4.101 142 HD23 LEU 16 3HD2 LEU 16 -6.831 -5.923 2.392 143 H LEU 17 H LEU 17 -6.438 -1.114 0.241 144 HA LEU 17 HA LEU 17 -8.679 -0.649 -1.449 145 HB2 LEU 17 2HB LEU 17 -6.074 0.866 -1.063 146 HB3 LEU 17 1HB LEU 17 -7.249 1.373 -2.264 147 HG LEU 17 HG LEU 17 -7.729 1.261 0.742 148 HD11 LEU 17 1HD1 LEU 17 -6.224 3.081 0.078 149 HD12 LEU 17 2HD1 LEU 17 -7.777 3.706 0.624 150 HD13 LEU 17 3HD1 LEU 17 -7.408 3.653 -1.103 151 HD21 LEU 17 1HD2 LEU 17 -9.591 2.201 -1.471 152 HD22 LEU 17 2HD2 LEU 17 -9.881 2.362 0.264 153 HD23 LEU 17 3HD2 LEU 17 -9.799 0.763 -0.465 154 H SER 18 H SER 18 -5.211 -1.249 -2.178 155 HA SER 18 HA SER 18 -5.429 -1.301 -4.990 156 HB2 SER 18 2HB SER 18 -3.225 -2.429 -4.939 157 HB3 SER 18 1HB SER 18 -3.271 -1.076 -3.806 158 HG SER 18 HG SER 18 -2.968 -2.413 -2.226 159 H GLN 19 H GLN 19 -5.672 -3.881 -2.538 160 HA GLN 19 HA GLN 19 -6.011 -6.123 -4.173 161 HB2 GLN 19 2HB GLN 19 -5.712 -6.200 -1.700 162 HB3 GLN 19 1HB GLN 19 -7.325 -5.532 -1.487 163 HG2 GLN 19 2HG GLN 19 -7.341 -7.933 -1.083 164 HG3 GLN 19 1HG GLN 19 -8.302 -7.555 -2.512 165 HE21 GLN 19 1HE2 GLN 19 -5.334 -8.976 -1.356 166 HE22 GLN 19 2HE2 GLN 19 -4.953 -9.838 -2.807 167 H SER 20 H SER 20 -8.456 -3.896 -2.845 168 HA SER 20 HA SER 20 -10.751 -5.063 -3.970 169 HB2 SER 20 2HB SER 20 -10.256 -2.157 -3.185 170 HB3 SER 20 1HB SER 20 -11.839 -2.843 -3.560 171 HG SER 20 HG SER 20 -10.189 -3.986 -1.576 172 H LEU 21 H LEU 21 -8.583 -2.498 -5.158 173 HA LEU 21 HA LEU 21 -10.139 -1.814 -7.433 174 HB2 LEU 21 2HB LEU 21 -7.197 -1.252 -6.865 175 HB3 LEU 21 1HB LEU 21 -8.122 -0.537 -8.175 176 HG LEU 21 HG LEU 21 -8.495 -0.050 -5.203 177 HD11 LEU 21 1HD1 LEU 21 -7.662 1.834 -7.425 178 HD12 LEU 21 2HD1 LEU 21 -6.610 1.149 -6.184 179 HD13 LEU 21 3HD1 LEU 21 -7.894 2.266 -5.727 180 HD21 LEU 21 1HD2 LEU 21 -10.301 1.497 -5.761 181 HD22 LEU 21 2HD2 LEU 21 -10.707 -0.145 -6.240 182 HD23 LEU 21 3HD2 LEU 21 -10.207 1.029 -7.459 183 H LEU 22 H LEU 22 -7.646 -4.224 -6.831 184 HA LEU 22 HA LEU 22 -7.078 -4.827 -9.578 185 HB2 LEU 22 2HB LEU 22 -5.521 -5.417 -7.711 186 HB3 LEU 22 1HB LEU 22 -6.697 -6.575 -7.108 187 HG LEU 22 HG LEU 22 -6.454 -7.903 -9.224 188 HD11 LEU 22 1HD1 LEU 22 -4.633 -7.424 -10.794 189 HD12 LEU 22 2HD1 LEU 22 -4.266 -5.925 -9.934 190 HD13 LEU 22 3HD1 LEU 22 -5.814 -6.115 -10.761 191 HD21 LEU 22 1HD2 LEU 22 -3.821 -7.415 -7.803 192 HD22 LEU 22 2HD2 LEU 22 -4.256 -8.846 -8.742 193 HD23 LEU 22 3HD2 LEU 22 -5.111 -8.482 -7.245 194 H GLU 23 H GLU 23 -9.113 -6.324 -7.059 195 HA GLU 23 HA GLU 23 -10.386 -8.341 -8.491 196 HB2 GLU 23 2HB GLU 23 -11.400 -6.604 -6.199 197 HB3 GLU 23 1HB GLU 23 -12.293 -7.994 -6.805 198 HG2 GLU 23 2HG GLU 23 -10.387 -9.464 -6.198 199 HG3 GLU 23 1HG GLU 23 -9.523 -8.060 -5.576 200 H LEU 24 H LEU 24 -11.453 -5.017 -7.966 201 HA LEU 24 HA LEU 24 -13.848 -5.094 -9.407 202 HB2 LEU 24 2HB LEU 24 -12.083 -2.722 -8.672 203 HB3 LEU 24 1HB LEU 24 -13.718 -2.576 -9.296 204 HG LEU 24 HG LEU 24 -12.987 -3.925 -6.670 205 HD11 LEU 24 1HD1 LEU 24 -13.927 -1.967 -5.547 206 HD12 LEU 24 2HD1 LEU 24 -14.174 -1.177 -7.106 207 HD13 LEU 24 3HD1 LEU 24 -12.539 -1.535 -6.546 208 HD21 LEU 24 1HD2 LEU 24 -15.713 -3.262 -7.817 209 HD22 LEU 24 2HD2 LEU 24 -15.398 -3.891 -6.198 210 HD23 LEU 24 3HD2 LEU 24 -15.017 -4.873 -7.608 211 H ALA 25 H ALA 25 -10.571 -4.000 -10.377 212 HA ALA 25 HA ALA 25 -11.195 -2.974 -12.921 213 HB1 ALA 25 1HB ALA 25 -9.034 -2.583 -11.784 214 HB2 ALA 25 2HB ALA 25 -8.812 -3.182 -13.431 215 HB3 ALA 25 3HB ALA 25 -8.588 -4.268 -12.055 216 H GLN 26 H GLN 26 -10.140 -6.226 -11.940 217 HA GLN 26 HA GLN 26 -10.149 -7.330 -14.591 218 HB2 GLN 26 2HB GLN 26 -10.108 -8.710 -11.868 219 HB3 GLN 26 1HB GLN 26 -9.787 -9.503 -13.411 220 HG2 GLN 26 2HG GLN 26 -7.794 -8.136 -13.761 221 HG3 GLN 26 1HG GLN 26 -8.134 -7.202 -12.305 222 HE21 GLN 26 1HE2 GLN 26 -5.729 -8.647 -12.910 223 HE22 GLN 26 2HE2 GLN 26 -5.530 -9.844 -11.683 224 H ARG 27 H ARG 27 -12.594 -6.934 -12.128 225 HA ARG 27 HA ARG 27 -14.549 -8.667 -13.460 226 HB2 ARG 27 2HB ARG 27 -14.763 -6.835 -11.027 227 HB3 ARG 27 1HB ARG 27 -16.095 -7.818 -11.632 228 HG2 ARG 27 2HG ARG 27 -14.898 -9.870 -11.123 229 HG3 ARG 27 1HG ARG 27 -13.444 -8.967 -10.700 230 HD2 ARG 27 2HD ARG 27 -14.721 -7.905 -8.815 231 HD3 ARG 27 1HD ARG 27 -16.082 -8.969 -9.194 232 HE ARG 27 HE ARG 27 -14.192 -10.784 -8.865 233 HH11 ARG 27 1HH1 ARG 27 -14.820 -7.964 -6.832 234 HH12 ARG 27 2HH1 ARG 27 -14.193 -8.724 -5.402 235 HH21 ARG 27 1HH2 ARG 27 -13.328 -11.719 -6.996 236 HH22 ARG 27 2HH2 ARG 27 -13.352 -10.839 -5.498 237 H GLY 28 H GLY 28 -13.349 -5.740 -14.301 238 HA2 GLY 28 2HA GLY 28 -14.054 -4.296 -15.959 239 HA3 GLY 28 1HA GLY 28 -15.594 -5.133 -16.017 240 H GLU 29 H GLU 29 -14.866 -4.198 -12.892 241 HA GLU 29 HA GLU 29 -16.814 -2.047 -12.842 242 HB2 GLU 29 2HB GLU 29 -15.127 -3.114 -10.547 243 HB3 GLU 29 1HB GLU 29 -16.649 -2.249 -10.435 244 HG2 GLU 29 2HG GLU 29 -16.343 -5.029 -11.598 245 HG3 GLU 29 1HG GLU 29 -16.766 -4.702 -9.919 246 H TRP 30 H TRP 30 -14.778 -1.137 -14.393 247 HA TRP 30 HA TRP 30 -12.515 0.005 -13.142 248 HB2 TRP 30 2HB TRP 30 -13.835 0.936 -15.735 249 HB3 TRP 30 1HB TRP 30 -12.196 1.309 -15.215 250 HD1 TRP 30 HD1 TRP 30 -14.254 -1.429 -16.880 251 HE1 TRP 30 HE1 TRP 30 -12.681 -3.266 -17.747 252 HE3 TRP 30 HE3 TRP 30 -9.869 0.139 -14.714 253 HZ2 TRP 30 HZ2 TRP 30 -9.960 -3.961 -17.560 254 HZ3 TRP 30 HZ3 TRP 30 -7.823 -1.178 -15.119 255 HH2 TRP 30 HH2 TRP 30 -7.874 -3.187 -16.513 256 H ASP 31 H ASP 31 -15.774 1.169 -13.651 257 HA ASP 31 HA ASP 31 -15.562 3.884 -13.090 258 HB2 ASP 31 2HB ASP 31 -17.820 1.963 -12.352 259 HB3 ASP 31 1HB ASP 31 -17.954 3.721 -12.346 260 H LEU 32 H LEU 32 -15.906 1.137 -10.861 261 HA LEU 32 HA LEU 32 -16.091 2.639 -8.478 262 HB2 LEU 32 2HB LEU 32 -15.256 -0.251 -8.924 263 HB3 LEU 32 1HB LEU 32 -15.532 0.450 -7.337 264 HG LEU 32 HG LEU 32 -17.654 0.174 -9.516 265 HD11 LEU 32 1HD1 LEU 32 -18.647 -1.569 -8.130 266 HD12 LEU 32 2HD1 LEU 32 -17.338 -1.412 -6.953 267 HD13 LEU 32 3HD1 LEU 32 -16.998 -1.999 -8.582 268 HD21 LEU 32 1HD2 LEU 32 -17.963 1.107 -6.638 269 HD22 LEU 32 2HD2 LEU 32 -19.273 0.849 -7.794 270 HD23 LEU 32 3HD2 LEU 32 -18.090 2.120 -8.080 271 H LEU 33 H LEU 33 -13.288 1.479 -10.341 272 HA LEU 33 HA LEU 33 -11.268 2.214 -8.463 273 HB2 LEU 33 2HB LEU 33 -11.160 1.935 -11.487 274 HB3 LEU 33 1HB LEU 33 -9.775 2.486 -10.567 275 HG LEU 33 HG LEU 33 -9.919 0.282 -9.258 276 HD11 LEU 33 1HD1 LEU 33 -12.182 -0.374 -9.861 277 HD12 LEU 33 2HD1 LEU 33 -11.017 -1.609 -10.332 278 HD13 LEU 33 3HD1 LEU 33 -11.705 -0.534 -11.553 279 HD21 LEU 33 1HD2 LEU 33 -8.668 -0.961 -10.960 280 HD22 LEU 33 2HD2 LEU 33 -8.174 0.730 -10.909 281 HD23 LEU 33 3HD2 LEU 33 -9.228 0.159 -12.206 282 H LEU 34 H LEU 34 -12.917 3.986 -11.073 283 HA LEU 34 HA LEU 34 -11.412 6.359 -11.038 284 HB2 LEU 34 2HB LEU 34 -14.379 6.097 -11.680 285 HB3 LEU 34 1HB LEU 34 -13.341 7.437 -12.144 286 HG LEU 34 HG LEU 34 -13.177 4.580 -13.182 287 HD11 LEU 34 1HD1 LEU 34 -15.044 5.834 -14.114 288 HD12 LEU 34 2HD1 LEU 34 -13.814 5.539 -15.340 289 HD13 LEU 34 3HD1 LEU 34 -13.958 7.139 -14.602 290 HD21 LEU 34 1HD2 LEU 34 -11.401 5.361 -14.700 291 HD22 LEU 34 2HD2 LEU 34 -10.910 5.468 -13.014 292 HD23 LEU 34 3HD2 LEU 34 -11.382 6.928 -13.887 293 H GLN 35 H GLN 35 -14.369 5.524 -9.214 294 HA GLN 35 HA GLN 35 -14.510 7.990 -7.754 295 HB2 GLN 35 2HB GLN 35 -15.979 5.366 -7.663 296 HB3 GLN 35 1HB GLN 35 -16.025 6.340 -6.200 297 HG2 GLN 35 2HG GLN 35 -17.994 6.800 -7.533 298 HG3 GLN 35 1HG GLN 35 -16.967 8.230 -7.480 299 HE21 GLN 35 1HE2 GLN 35 -17.900 9.110 -9.343 300 HE22 GLN 35 2HE2 GLN 35 -17.640 8.451 -10.919 301 H GLN 36 H GLN 36 -12.798 4.976 -7.203 302 HA GLN 36 HA GLN 36 -12.109 5.657 -4.446 303 HB2 GLN 36 2HB GLN 36 -11.446 3.253 -6.174 304 HB3 GLN 36 1HB GLN 36 -10.760 3.479 -4.570 305 HG2 GLN 36 2HG GLN 36 -13.715 3.251 -5.205 306 HG3 GLN 36 1HG GLN 36 -12.704 1.975 -4.527 307 HE21 GLN 36 1HE2 GLN 36 -15.122 3.371 -3.475 308 HE22 GLN 36 2HE2 GLN 36 -14.658 3.951 -1.914 309 H GLU 37 H GLU 37 -10.831 6.375 -7.501 310 HA GLU 37 HA GLU 37 -8.113 6.211 -7.367 311 HB2 GLU 37 2HB GLU 37 -9.394 7.032 -9.321 312 HB3 GLU 37 1HB GLU 37 -9.706 8.553 -8.488 313 HG2 GLU 37 2HG GLU 37 -7.256 9.008 -8.463 314 HG3 GLU 37 1HG GLU 37 -6.987 7.509 -9.353 315 H VAL 38 H VAL 38 -9.923 9.145 -6.286 316 HA VAL 38 HA VAL 38 -7.744 10.546 -5.224 317 HB VAL 38 HB VAL 38 -10.701 10.735 -4.472 318 HG11 VAL 38 1HG1 VAL 38 -10.199 12.957 -3.477 319 HG12 VAL 38 2HG1 VAL 38 -8.473 12.681 -3.730 320 HG13 VAL 38 3HG1 VAL 38 -9.372 11.662 -2.605 321 HG21 VAL 38 1HG2 VAL 38 -8.984 12.474 -6.283 322 HG22 VAL 38 2HG2 VAL 38 -10.694 12.732 -5.924 323 HG23 VAL 38 3HG2 VAL 38 -10.185 11.299 -6.817 324 H SER 39 H SER 39 -9.936 8.235 -3.662 325 HA SER 39 HA SER 39 -9.043 8.506 -1.009 326 HB2 SER 39 2HB SER 39 -10.242 6.064 -2.393 327 HB3 SER 39 1HB SER 39 -10.149 6.316 -0.643 328 HG SER 39 HG SER 39 -12.164 6.948 -1.898 329 H TYR 40 H TYR 40 -7.940 6.414 -3.646 330 HA TYR 40 HA TYR 40 -6.160 4.803 -2.110 331 HB2 TYR 40 2HB TYR 40 -7.156 4.056 -4.287 332 HB3 TYR 40 1HB TYR 40 -6.199 5.274 -5.130 333 HD1 TYR 40 HD1 TYR 40 -5.618 2.545 -2.612 334 HD2 TYR 40 HD2 TYR 40 -4.237 4.423 -6.195 335 HE1 TYR 40 HE1 TYR 40 -3.798 0.916 -2.751 336 HE2 TYR 40 HE2 TYR 40 -2.404 2.782 -6.334 337 HH TYR 40 HH TYR 40 -1.134 1.300 -4.677 338 H LEU 41 H LEU 41 -5.732 7.561 -4.300 339 HA LEU 41 HA LEU 41 -2.906 7.649 -4.220 340 HB2 LEU 41 2HB LEU 41 -4.853 9.878 -4.943 341 HB3 LEU 41 1HB LEU 41 -3.135 9.858 -5.313 342 HG LEU 41 HG LEU 41 -5.302 8.101 -6.514 343 HD11 LEU 41 1HD1 LEU 41 -4.598 9.090 -8.644 344 HD12 LEU 41 2HD1 LEU 41 -3.420 10.097 -7.796 345 HD13 LEU 41 3HD1 LEU 41 -5.147 10.315 -7.501 346 HD21 LEU 41 1HD2 LEU 41 -3.570 6.973 -7.832 347 HD22 LEU 41 2HD2 LEU 41 -3.382 6.662 -6.110 348 HD23 LEU 41 3HD2 LEU 41 -2.314 7.813 -6.920 349 H GLN 42 H GLN 42 -5.434 9.448 -2.472 350 HA GLN 42 HA GLN 42 -3.825 11.201 -0.995 351 HB2 GLN 42 2HB GLN 42 -6.331 11.358 -1.165 352 HB3 GLN 42 1HB GLN 42 -6.470 9.960 -0.106 353 HG2 GLN 42 2HG GLN 42 -5.261 11.271 1.671 354 HG3 GLN 42 1HG GLN 42 -5.326 12.680 0.611 355 HE21 GLN 42 1HE2 GLN 42 -6.453 12.372 3.248 356 HE22 GLN 42 2HE2 GLN 42 -8.158 12.622 3.104 357 H SER 43 H SER 43 -5.094 7.954 -0.144 358 HA SER 43 HA SER 43 -3.994 7.772 2.424 359 HB2 SER 43 2HB SER 43 -4.680 5.536 0.475 360 HB3 SER 43 1HB SER 43 -4.316 5.298 2.188 361 HG SER 43 HG SER 43 -6.353 7.030 1.262 362 H ILE 44 H ILE 44 -2.640 6.469 -0.656 363 HA ILE 44 HA ILE 44 -0.403 5.244 0.524 364 HB ILE 44 HB ILE 44 -1.263 4.632 -1.730 365 HG12 ILE 44 2HG1 ILE 44 1.702 5.345 -1.659 366 HG13 ILE 44 1HG1 ILE 44 0.971 3.849 -1.089 367 HG21 ILE 44 1HG2 ILE 44 0.062 7.161 -2.758 368 HG22 ILE 44 2HG2 ILE 44 -1.674 6.874 -2.654 369 HG23 ILE 44 3HG2 ILE 44 -0.692 5.900 -3.745 370 HD11 ILE 44 1HD1 ILE 44 0.321 3.307 -3.405 371 HD12 ILE 44 2HD1 ILE 44 2.062 3.495 -3.208 372 HD13 ILE 44 3HD1 ILE 44 1.120 4.782 -3.962 373 H GLU 45 H GLU 45 -0.739 8.488 -0.968 374 HA GLU 45 HA GLU 45 1.920 9.373 -0.680 375 HB2 GLU 45 2HB GLU 45 -0.695 10.930 -0.695 376 HB3 GLU 45 1HB GLU 45 0.879 11.712 -0.696 377 HG2 GLU 45 2HG GLU 45 -0.004 9.767 -2.842 378 HG3 GLU 45 1HG GLU 45 -0.277 11.503 -2.940 379 H THR 46 H THR 46 -0.880 9.714 1.521 380 HA THR 46 HA THR 46 0.277 11.299 3.503 381 HB THR 46 HB THR 46 -1.992 9.275 3.780 382 HG1 THR 46 HG1 THR 46 -2.053 11.274 2.320 383 HG21 THR 46 1HG2 THR 46 -1.241 11.567 5.648 384 HG22 THR 46 2HG2 THR 46 -1.099 9.847 6.024 385 HG23 THR 46 3HG2 THR 46 -2.690 10.572 5.779 386 H VAL 47 H VAL 47 0.180 7.759 3.225 387 HA VAL 47 HA VAL 47 1.370 7.193 5.755 388 HB VAL 47 HB VAL 47 1.378 5.404 3.278 389 HG11 VAL 47 1HG1 VAL 47 1.579 4.688 6.231 390 HG12 VAL 47 2HG1 VAL 47 2.897 4.623 5.060 391 HG13 VAL 47 3HG1 VAL 47 1.517 3.537 4.892 392 HG21 VAL 47 1HG2 VAL 47 -0.733 5.618 5.448 393 HG22 VAL 47 2HG2 VAL 47 -0.728 4.451 4.124 394 HG23 VAL 47 3HG2 VAL 47 -0.903 6.170 3.787 395 H MET 48 H MET 48 2.664 7.503 2.426 396 HA MET 48 HA MET 48 5.384 6.970 3.159 397 HB2 MET 48 2HB MET 48 4.198 8.250 0.670 398 HB3 MET 48 1HB MET 48 5.924 7.974 0.872 399 HG2 MET 48 2HG MET 48 5.420 5.528 1.178 400 HG3 MET 48 1HG MET 48 3.748 5.878 0.742 401 HE1 MET 48 1HE MET 48 3.893 7.971 -1.626 402 HE2 MET 48 2HE MET 48 2.942 6.488 -1.713 403 HE3 MET 48 3HE MET 48 4.042 6.908 -3.024 404 H GLU 49 H GLU 49 3.443 9.847 3.495 405 HA GLU 49 HA GLU 49 5.609 11.729 3.737 406 HB2 GLU 49 2HB GLU 49 2.790 11.811 4.904 407 HB3 GLU 49 1HB GLU 49 3.940 13.139 5.013 408 HG2 GLU 49 2HG GLU 49 3.949 13.348 2.563 409 HG3 GLU 49 1HG GLU 49 2.802 12.014 2.442 410 H LYS 50 H LYS 50 4.081 9.454 5.945 411 HA LYS 50 HA LYS 50 4.997 10.766 8.360 412 HB2 LYS 50 2HB LYS 50 3.311 8.325 7.777 413 HB3 LYS 50 1HB LYS 50 4.035 8.475 9.372 414 HG2 LYS 50 2HG LYS 50 1.649 9.323 9.159 415 HG3 LYS 50 1HG LYS 50 2.800 10.445 9.886 416 HD2 LYS 50 2HD LYS 50 2.903 11.769 7.877 417 HD3 LYS 50 1HD LYS 50 2.036 10.554 6.950 418 HE2 LYS 50 2HE LYS 50 -0.001 11.009 8.286 419 HE3 LYS 50 1HE LYS 50 0.884 12.244 9.187 420 HZ1 LYS 50 1HZ LYS 50 -0.465 13.184 7.400 421 HZ2 LYS 50 2HZ LYS 50 0.405 12.300 6.251 422 HZ3 LYS 50 3HZ LYS 50 1.177 13.495 7.161 423 H GLN 51 H GLN 51 6.674 10.292 9.604 424 HA GLN 51 HA GLN 51 8.886 8.769 8.677 425 HB2 GLN 51 2HB GLN 51 9.128 10.814 10.023 426 HB3 GLN 51 1HB GLN 51 8.311 10.059 11.381 427 HG2 GLN 51 2HG GLN 51 10.182 8.574 11.760 428 HG3 GLN 51 1HG GLN 51 10.961 9.089 10.269 429 HE21 GLN 51 1HE2 GLN 51 10.415 11.932 10.652 430 HE22 GLN 51 2HE2 GLN 51 11.475 12.458 11.909 431 H THR 52 H THR 52 9.784 6.874 9.526 432 HA THR 52 HA THR 52 8.058 4.779 10.318 433 HB THR 52 HB THR 52 11.106 4.886 10.516 434 HG1 THR 52 HG1 THR 52 9.365 4.427 8.330 435 HG21 THR 52 1HG2 THR 52 11.009 2.453 10.198 436 HG22 THR 52 2HG2 THR 52 9.246 2.503 10.125 437 HG23 THR 52 3HG2 THR 52 10.082 2.908 11.630 438 HA PRO 53 HA PRO 53 8.294 5.570 14.866 439 HB2 PRO 53 2HB PRO 53 6.861 2.963 15.142 440 HB3 PRO 53 1HB PRO 53 6.341 4.583 15.647 441 HG2 PRO 53 2HG PRO 53 5.171 3.313 13.581 442 HG3 PRO 53 1HG PRO 53 5.381 5.080 13.598 443 HD2 PRO 53 2HD PRO 53 7.036 3.000 12.166 444 HD3 PRO 53 1HD PRO 53 6.439 4.569 11.574 445 HA PRO 54 HA PRO 54 11.753 2.805 15.915 446 HB2 PRO 54 2HB PRO 54 11.770 3.099 18.665 447 HB3 PRO 54 1HB PRO 54 12.415 4.321 17.548 448 HG2 PRO 54 2HG PRO 54 9.750 4.244 18.918 449 HG3 PRO 54 1HG PRO 54 10.855 5.617 18.677 450 HD2 PRO 54 2HD PRO 54 8.667 5.253 17.113 451 HD3 PRO 54 1HD PRO 54 10.169 5.963 16.478 452 H GLY 55 H GLY 55 8.760 2.533 17.845 453 HA2 GLY 55 2HA GLY 55 9.210 -0.187 18.685 454 HA3 GLY 55 1HA GLY 55 7.765 0.776 18.924 455 H ILE 56 H ILE 56 9.518 -0.688 16.182 456 HA ILE 56 HA ILE 56 7.003 -1.920 15.198 457 HB ILE 56 HB ILE 56 9.622 -1.289 13.749 458 HG12 ILE 56 2HG1 ILE 56 6.774 -0.296 13.302 459 HG13 ILE 56 1HG1 ILE 56 8.114 0.641 13.956 460 HG21 ILE 56 1HG2 ILE 56 7.258 -2.826 12.608 461 HG22 ILE 56 2HG2 ILE 56 8.834 -3.508 12.999 462 HG23 ILE 56 3HG2 ILE 56 8.689 -2.312 11.714 463 HD11 ILE 56 1HD1 ILE 56 7.852 -0.417 11.147 464 HD12 ILE 56 2HD1 ILE 56 9.282 0.401 11.788 465 HD13 ILE 56 3HD1 ILE 56 7.742 1.258 11.685 466 H THR 57 H THR 57 6.857 -3.883 16.159 467 HA THR 57 HA THR 57 9.133 -5.413 17.047 468 HB THR 57 HB THR 57 7.524 -7.051 17.862 469 HG1 THR 57 HG1 THR 57 5.175 -6.408 17.344 470 HG21 THR 57 1HG2 THR 57 6.381 -4.255 18.263 471 HG22 THR 57 2HG2 THR 57 7.669 -4.990 19.223 472 HG23 THR 57 3HG2 THR 57 6.040 -5.664 19.273 473 H ARG 58 H ARG 58 8.941 -7.928 16.455 474 HA ARG 58 HA ARG 58 9.794 -8.202 13.779 475 HB2 ARG 58 2HB ARG 58 10.524 -9.642 15.713 476 HB3 ARG 58 1HB ARG 58 8.931 -10.387 15.729 477 HG2 ARG 58 2HG ARG 58 10.582 -11.835 14.640 478 HG3 ARG 58 1HG ARG 58 9.337 -11.340 13.490 479 HD2 ARG 58 2HD ARG 58 10.843 -9.745 12.455 480 HD3 ARG 58 1HD ARG 58 12.052 -9.993 13.718 481 HE ARG 58 HE ARG 58 12.694 -11.984 12.735 482 HH11 ARG 58 1HH1 ARG 58 9.854 -10.760 11.025 483 HH12 ARG 58 2HH1 ARG 58 10.039 -11.858 9.700 484 HH21 ARG 58 1HH2 ARG 58 12.898 -13.414 10.980 485 HH22 ARG 58 2HH2 ARG 58 11.754 -13.357 9.674 486 H SER 59 H SER 59 6.790 -9.170 15.442 487 HA SER 59 HA SER 59 5.434 -10.295 13.252 488 HB2 SER 59 2HB SER 59 4.266 -8.952 15.723 489 HB3 SER 59 1HB SER 59 3.411 -10.059 14.649 490 HG SER 59 HG SER 59 5.176 -11.595 15.232 491 H ILE 60 H ILE 60 5.495 -6.937 14.509 492 HA ILE 60 HA ILE 60 3.624 -5.810 12.710 493 HB ILE 60 HB ILE 60 5.954 -4.497 14.181 494 HG12 ILE 60 2HG1 ILE 60 2.958 -4.519 14.784 495 HG13 ILE 60 1HG1 ILE 60 4.181 -5.440 15.649 496 HG21 ILE 60 1HG2 ILE 60 4.892 -2.304 13.711 497 HG22 ILE 60 2HG2 ILE 60 3.700 -3.103 12.687 498 HG23 ILE 60 3HG2 ILE 60 5.400 -3.107 12.223 499 HD11 ILE 60 1HD1 ILE 60 5.198 -3.343 16.419 500 HD12 ILE 60 2HD1 ILE 60 3.516 -3.500 16.917 501 HD13 ILE 60 3HD1 ILE 60 3.940 -2.432 15.580 502 H GLN 61 H GLN 61 7.134 -6.293 12.471 503 HA GLN 61 HA GLN 61 7.665 -4.881 10.098 504 HB2 GLN 61 2HB GLN 61 9.407 -5.713 11.672 505 HB3 GLN 61 1HB GLN 61 9.046 -7.370 11.204 506 HG2 GLN 61 2HG GLN 61 9.793 -6.837 8.884 507 HG3 GLN 61 1HG GLN 61 10.223 -5.212 9.424 508 HE21 GLN 61 1HE2 GLN 61 12.421 -5.523 8.902 509 HE22 GLN 61 2HE2 GLN 61 13.456 -6.564 9.803 510 H ASP 62 H ASP 62 6.712 -8.283 10.666 511 HA ASP 62 HA ASP 62 6.751 -9.107 7.941 512 HB2 ASP 62 2HB ASP 62 5.267 -10.285 10.322 513 HB3 ASP 62 1HB ASP 62 5.329 -11.050 8.736 514 H MET 63 H MET 63 4.065 -7.940 10.019 515 HA MET 63 HA MET 63 1.991 -8.422 8.143 516 HB2 MET 63 2HB MET 63 2.059 -6.471 10.485 517 HB3 MET 63 1HB MET 63 0.619 -6.811 9.533 518 HG2 MET 63 2HG MET 63 0.783 -9.200 10.207 519 HG3 MET 63 1HG MET 63 2.140 -8.779 11.253 520 HE1 MET 63 1HE MET 63 1.085 -5.811 12.266 521 HE2 MET 63 2HE MET 63 1.909 -6.994 13.283 522 HE3 MET 63 3HE MET 63 0.369 -6.310 13.798 523 H VAL 64 H VAL 64 3.739 -5.427 8.962 524 HA VAL 64 HA VAL 64 2.555 -3.739 7.065 525 HB VAL 64 HB VAL 64 5.304 -3.565 8.388 526 HG11 VAL 64 1HG1 VAL 64 5.316 -1.160 7.761 527 HG12 VAL 64 2HG1 VAL 64 3.837 -1.408 6.826 528 HG13 VAL 64 3HG1 VAL 64 5.328 -2.207 6.335 529 HG21 VAL 64 1HG2 VAL 64 3.412 -3.498 9.967 530 HG22 VAL 64 2HG2 VAL 64 2.662 -2.196 9.042 531 HG23 VAL 64 3HG2 VAL 64 4.190 -1.914 9.882 532 H ALA 65 H ALA 65 5.732 -5.522 6.792 533 HA ALA 65 HA ALA 65 6.201 -4.703 4.103 534 HB1 ALA 65 1HB ALA 65 8.020 -6.307 4.013 535 HB2 ALA 65 2HB ALA 65 7.387 -7.160 5.436 536 HB3 ALA 65 3HB ALA 65 8.020 -5.523 5.597 537 H GLY 66 H GLY 66 4.390 -7.390 5.444 538 HA2 GLY 66 2HA GLY 66 4.115 -8.957 3.062 539 HA3 GLY 66 1HA GLY 66 3.079 -9.033 4.484 540 H TYR 67 H TYR 67 2.224 -6.377 4.562 541 HA TYR 67 HA TYR 67 0.152 -6.290 2.603 542 HB2 TYR 67 2HB TYR 67 1.049 -4.345 4.756 543 HB3 TYR 67 1HB TYR 67 -0.260 -3.952 3.644 544 HD1 TYR 67 HD1 TYR 67 -1.390 -6.931 3.576 545 HD2 TYR 67 HD2 TYR 67 -0.357 -4.226 6.720 546 HE1 TYR 67 HE1 TYR 67 -3.052 -7.999 5.045 547 HE2 TYR 67 HE2 TYR 67 -2.009 -5.292 8.150 548 HH TYR 67 HH TYR 67 -3.437 -8.254 7.503 549 H ILE 68 H ILE 68 3.273 -4.622 2.987 550 HA ILE 68 HA ILE 68 2.968 -2.768 0.875 551 HB ILE 68 HB ILE 68 5.603 -3.993 1.862 552 HG12 ILE 68 2HG1 ILE 68 4.262 -1.353 2.630 553 HG13 ILE 68 1HG1 ILE 68 4.423 -2.759 3.666 554 HG21 ILE 68 1HG2 ILE 68 6.695 -2.026 0.783 555 HG22 ILE 68 2HG2 ILE 68 5.129 -1.505 0.155 556 HG23 ILE 68 3HG2 ILE 68 5.839 -3.022 -0.398 557 HD11 ILE 68 1HD1 ILE 68 6.686 -1.064 2.625 558 HD12 ILE 68 2HD1 ILE 68 6.856 -2.491 3.652 559 HD13 ILE 68 3HD1 ILE 68 6.029 -1.058 4.264 560 H LYS 69 H LYS 69 4.337 -6.071 1.012 561 HA LYS 69 HA LYS 69 5.180 -6.325 -1.644 562 HB2 LYS 69 2HB LYS 69 5.763 -7.933 0.208 563 HB3 LYS 69 1HB LYS 69 4.119 -8.537 0.174 564 HG2 LYS 69 2HG LYS 69 5.367 -10.146 -1.006 565 HG3 LYS 69 1HG LYS 69 4.564 -9.219 -2.268 566 HD2 LYS 69 2HD LYS 69 7.441 -8.693 -1.412 567 HD3 LYS 69 1HD LYS 69 7.021 -9.859 -2.662 568 HE2 LYS 69 2HE LYS 69 6.474 -6.871 -2.762 569 HE3 LYS 69 1HE LYS 69 7.722 -7.735 -3.657 570 HZ1 LYS 69 1HZ LYS 69 5.787 -7.273 -5.016 571 HZ2 LYS 69 2HZ LYS 69 4.797 -8.157 -3.971 572 HZ3 LYS 69 3HZ LYS 69 6.020 -8.934 -4.844 573 H GLN 70 H GLN 70 2.119 -7.201 -0.085 574 HA GLN 70 HA GLN 70 0.792 -8.314 -2.275 575 HB2 GLN 70 2HB GLN 70 0.070 -8.487 0.137 576 HB3 GLN 70 1HB GLN 70 -0.507 -6.825 0.051 577 HG2 GLN 70 2HG GLN 70 -2.105 -7.492 -1.727 578 HG3 GLN 70 1HG GLN 70 -1.523 -9.154 -1.612 579 HE21 GLN 70 1HE2 GLN 70 -3.484 -10.022 -1.007 580 HE22 GLN 70 2HE2 GLN 70 -4.253 -9.694 0.507 581 H THR 71 H THR 71 0.903 -4.913 -1.108 582 HA THR 71 HA THR 71 -1.054 -4.056 -3.059 583 HB THR 71 HB THR 71 -1.002 -2.953 -0.845 584 HG1 THR 71 HG1 THR 71 -0.485 -1.285 -3.102 585 HG21 THR 71 1HG2 THR 71 1.588 -1.643 -1.717 586 HG22 THR 71 2HG2 THR 71 1.429 -2.846 -0.436 587 HG23 THR 71 3HG2 THR 71 0.650 -1.274 -0.262 588 H LEU 72 H LEU 72 2.428 -4.305 -2.874 589 HA LEU 72 HA LEU 72 3.094 -2.625 -5.053 590 HB2 LEU 72 2HB LEU 72 4.511 -5.160 -4.105 591 HB3 LEU 72 1HB LEU 72 5.126 -4.110 -5.368 592 HG LEU 72 HG LEU 72 4.897 -3.513 -2.415 593 HD11 LEU 72 1HD1 LEU 72 6.898 -4.718 -3.100 594 HD12 LEU 72 2HD1 LEU 72 7.280 -3.097 -2.525 595 HD13 LEU 72 3HD1 LEU 72 7.282 -3.440 -4.259 596 HD21 LEU 72 1HD2 LEU 72 5.687 -1.224 -2.896 597 HD22 LEU 72 2HD2 LEU 72 4.058 -1.545 -3.485 598 HD23 LEU 72 3HD2 LEU 72 5.418 -1.513 -4.620 599 H ASP 73 H ASP 73 2.336 -6.102 -4.818 600 HA ASP 73 HA ASP 73 2.538 -6.692 -7.566 601 HB2 ASP 73 2HB ASP 73 0.964 -8.139 -5.390 602 HB3 ASP 73 1HB ASP 73 1.202 -8.767 -7.021 603 H ASN 74 H ASN 74 -0.380 -6.091 -5.568 604 HA ASN 74 HA ASN 74 -2.346 -6.324 -7.522 605 HB2 ASN 74 2HB ASN 74 -2.390 -4.412 -5.142 606 HB3 ASN 74 1HB ASN 74 -3.798 -4.909 -6.072 607 HD21 ASN 74 1HD2 ASN 74 -3.312 -5.163 -3.244 608 HD22 ASN 74 2HD2 ASN 74 -3.433 -6.848 -2.878 609 H GLU 75 H GLU 75 -0.723 -3.356 -6.408 610 HA GLU 75 HA GLU 75 -1.957 -1.572 -8.233 611 HB2 GLU 75 2HB GLU 75 -0.980 -0.863 -6.087 612 HB3 GLU 75 1HB GLU 75 0.620 -1.348 -6.630 613 HG2 GLU 75 2HG GLU 75 0.537 0.408 -8.362 614 HG3 GLU 75 1HG GLU 75 -1.047 0.898 -7.771 615 H GLN 76 H GLN 76 0.922 -3.596 -8.465 616 HA GLN 76 HA GLN 76 2.110 -2.234 -10.720 617 HB2 GLN 76 2HB GLN 76 3.287 -3.721 -8.966 618 HB3 GLN 76 1HB GLN 76 2.662 -5.102 -9.852 619 HG2 GLN 76 2HG GLN 76 3.952 -4.421 -11.822 620 HG3 GLN 76 1HG GLN 76 4.514 -2.980 -10.970 621 HE21 GLN 76 1HE2 GLN 76 4.182 -6.285 -9.670 622 HE22 GLN 76 2HE2 GLN 76 5.869 -6.501 -9.352 623 H LEU 77 H LEU 77 -0.011 -5.020 -10.226 624 HA LEU 77 HA LEU 77 -0.121 -5.934 -12.916 625 HB2 LEU 77 2HB LEU 77 -2.132 -6.277 -10.652 626 HB3 LEU 77 1HB LEU 77 -2.216 -7.124 -12.186 627 HG LEU 77 HG LEU 77 -0.061 -7.461 -10.064 628 HD11 LEU 77 1HD1 LEU 77 -0.949 -9.728 -9.795 629 HD12 LEU 77 2HD1 LEU 77 -2.222 -9.379 -10.968 630 HD13 LEU 77 3HD1 LEU 77 -2.167 -8.504 -9.436 631 HD21 LEU 77 1HD2 LEU 77 0.955 -7.701 -12.265 632 HD22 LEU 77 2HD2 LEU 77 -0.282 -8.869 -12.738 633 HD23 LEU 77 3HD2 LEU 77 0.861 -9.262 -11.450 634 H LEU 78 H LEU 78 -2.061 -3.660 -10.983 635 HA LEU 78 HA LEU 78 -4.038 -3.007 -12.888 636 HB2 LEU 78 2HB LEU 78 -2.929 -1.455 -10.516 637 HB3 LEU 78 1HB LEU 78 -4.265 -0.852 -11.490 638 HG LEU 78 HG LEU 78 -4.283 -3.437 -9.887 639 HD11 LEU 78 1HD1 LEU 78 -5.897 -2.315 -8.448 640 HD12 LEU 78 2HD1 LEU 78 -5.745 -0.831 -9.392 641 HD13 LEU 78 3HD1 LEU 78 -4.365 -1.438 -8.465 642 HD21 LEU 78 1HD2 LEU 78 -5.624 -3.677 -11.895 643 HD22 LEU 78 2HD2 LEU 78 -6.448 -2.148 -11.579 644 HD23 LEU 78 3HD2 LEU 78 -6.682 -3.521 -10.497 645 H LYS 79 H LYS 79 -1.182 -1.078 -11.953 646 HA LYS 79 HA LYS 79 -1.576 0.903 -13.949 647 HB2 LYS 79 2HB LYS 79 0.657 0.304 -11.987 648 HB3 LYS 79 1HB LYS 79 0.890 1.533 -13.224 649 HG2 LYS 79 2HG LYS 79 0.197 2.547 -11.099 650 HG3 LYS 79 1HG LYS 79 -1.011 2.825 -12.351 651 HD2 LYS 79 2HD LYS 79 -2.430 1.048 -11.383 652 HD3 LYS 79 1HD LYS 79 -1.201 0.722 -10.160 653 HE2 LYS 79 2HE LYS 79 -2.681 3.355 -10.468 654 HE3 LYS 79 1HE LYS 79 -3.093 2.099 -9.305 655 HZ1 LYS 79 1HZ LYS 79 -1.719 4.001 -8.454 656 HZ2 LYS 79 2HZ LYS 79 -0.428 3.411 -9.360 657 HZ3 LYS 79 3HZ LYS 79 -1.096 2.472 -8.126 658 H GLY 80 H GLY 80 0.363 -2.030 -13.795 659 HA2 GLY 80 2HA GLY 80 1.834 -1.763 -16.200 660 HA3 GLY 80 1HA GLY 80 1.439 -3.273 -15.393 661 H LEU 81 H LEU 81 -1.342 -3.188 -15.485 662 HA LEU 81 HA LEU 81 -2.050 -4.130 -18.049 663 HB2 LEU 81 2HB LEU 81 -3.135 -4.596 -15.783 664 HB3 LEU 81 1HB LEU 81 -3.934 -3.050 -15.903 665 HG LEU 81 HG LEU 81 -4.399 -5.364 -17.846 666 HD11 LEU 81 1HD1 LEU 81 -6.484 -5.798 -16.607 667 HD12 LEU 81 2HD1 LEU 81 -6.039 -4.576 -15.412 668 HD13 LEU 81 3HD1 LEU 81 -5.061 -6.034 -15.594 669 HD21 LEU 81 1HD2 LEU 81 -6.034 -2.837 -17.403 670 HD22 LEU 81 2HD2 LEU 81 -6.465 -4.173 -18.476 671 HD23 LEU 81 3HD2 LEU 81 -5.039 -3.198 -18.814 672 H LEU 82 H LEU 82 -2.418 -0.972 -16.467 673 HA LEU 82 HA LEU 82 -4.066 0.343 -18.314 674 HB2 LEU 82 2HB LEU 82 -1.899 1.511 -16.521 675 HB3 LEU 82 1HB LEU 82 -3.098 2.470 -17.375 676 HG LEU 82 HG LEU 82 -3.678 0.466 -15.161 677 HD11 LEU 82 1HD1 LEU 82 -3.804 3.495 -15.115 678 HD12 LEU 82 2HD1 LEU 82 -2.591 2.484 -14.322 679 HD13 LEU 82 3HD1 LEU 82 -4.272 2.409 -13.801 680 HD21 LEU 82 1HD2 LEU 82 -5.534 0.499 -16.740 681 HD22 LEU 82 2HD2 LEU 82 -5.609 2.261 -16.667 682 HD23 LEU 82 3HD2 LEU 82 -6.000 1.299 -15.240 683 H GLN 83 H GLN 83 -0.474 0.376 -18.059 684 HA GLN 83 HA GLN 83 -0.104 0.135 -20.865 685 HB2 GLN 83 2HB GLN 83 -0.842 2.528 -20.791 686 HB3 GLN 83 1HB GLN 83 0.521 2.908 -19.750 687 HG2 GLN 83 2HG GLN 83 0.821 3.565 -22.149 688 HG3 GLN 83 1HG GLN 83 2.088 2.505 -21.534 689 HE21 GLN 83 1HE2 GLN 83 2.302 0.449 -22.393 690 HE22 GLN 83 2HE2 GLN 83 1.448 -0.087 -23.798 691 H GLN 84 H GLN 84 1.404 1.195 -17.793 692 HA GLN 84 HA GLN 84 3.885 -0.247 -18.427 693 HB2 GLN 84 2HB GLN 84 3.818 2.286 -19.321 694 HB3 GLN 84 1HB GLN 84 4.187 2.677 -17.650 695 HG2 GLN 84 2HG GLN 84 5.882 0.755 -19.268 696 HG3 GLN 84 1HG GLN 84 6.135 2.492 -19.327 697 HE21 GLN 84 1HE2 GLN 84 6.935 3.547 -17.480 698 HE22 GLN 84 2HE2 GLN 84 7.772 2.685 -16.240 699 H ARG 85 H ARG 85 5.110 -0.734 -16.551 700 HA ARG 85 HA ARG 85 3.872 -1.272 -14.156 701 HB2 ARG 85 2HB ARG 85 6.055 -2.197 -14.881 702 HB3 ARG 85 1HB ARG 85 6.814 -0.632 -14.621 703 HG2 ARG 85 2HG ARG 85 6.277 -0.842 -12.178 704 HG3 ARG 85 1HG ARG 85 5.649 -2.461 -12.498 705 HD2 ARG 85 2HD ARG 85 8.496 -1.471 -12.714 706 HD3 ARG 85 1HD ARG 85 7.870 -2.810 -11.749 707 HE ARG 85 HE ARG 85 8.231 -2.804 -14.684 708 HH11 ARG 85 1HH1 ARG 85 7.921 -4.690 -11.714 709 HH12 ARG 85 2HH1 ARG 85 8.267 -6.193 -12.508 710 HH21 ARG 85 1HH2 ARG 85 8.641 -4.737 -15.698 711 HH22 ARG 85 2HH2 ARG 85 8.678 -6.214 -14.787 712 H LEU 86 H LEU 86 5.904 1.538 -14.906 713 HA LEU 86 HA LEU 86 5.666 2.665 -12.236 714 HB2 LEU 86 2HB LEU 86 7.088 3.700 -14.721 715 HB3 LEU 86 1HB LEU 86 7.299 4.307 -13.087 716 HG LEU 86 HG LEU 86 8.090 1.522 -14.052 717 HD11 LEU 86 1HD1 LEU 86 10.400 2.248 -13.753 718 HD12 LEU 86 2HD1 LEU 86 9.854 3.864 -13.294 719 HD13 LEU 86 3HD1 LEU 86 9.568 3.263 -14.930 720 HD21 LEU 86 1HD2 LEU 86 8.508 2.787 -11.326 721 HD22 LEU 86 2HD2 LEU 86 9.163 1.235 -11.861 722 HD23 LEU 86 3HD2 LEU 86 7.422 1.446 -11.706 723 H ASP 87 H ASP 87 3.640 2.758 -14.833 724 HA ASP 87 HA ASP 87 2.827 5.487 -15.032 725 HB2 ASP 87 2HB ASP 87 2.392 3.757 -16.786 726 HB3 ASP 87 1HB ASP 87 1.312 2.909 -15.691 727 H GLU 88 H GLU 88 0.326 5.998 -14.473 728 HA GLU 88 HA GLU 88 -0.514 5.022 -11.863 729 HB2 GLU 88 2HB GLU 88 1.308 6.673 -11.354 730 HB3 GLU 88 1HB GLU 88 0.413 7.918 -12.214 731 HG2 GLU 88 2HG GLU 88 0.234 8.067 -9.729 732 HG3 GLU 88 1HG GLU 88 -1.324 7.922 -10.546 733 H LEU 89 H LEU 89 -2.594 5.823 -11.238 734 HA LEU 89 HA LEU 89 -4.538 6.219 -13.219 735 HB2 LEU 89 2HB LEU 89 -4.654 6.789 -10.222 736 HB3 LEU 89 1HB LEU 89 -6.061 6.736 -11.273 737 HG LEU 89 HG LEU 89 -4.240 4.356 -10.706 738 HD11 LEU 89 1HD1 LEU 89 -5.474 5.000 -8.684 739 HD12 LEU 89 2HD1 LEU 89 -6.064 3.469 -9.325 740 HD13 LEU 89 3HD1 LEU 89 -6.999 4.948 -9.574 741 HD21 LEU 89 1HD2 LEU 89 -5.313 4.198 -12.905 742 HD22 LEU 89 2HD2 LEU 89 -6.898 4.467 -12.175 743 HD23 LEU 89 3HD2 LEU 89 -5.983 3.007 -11.792 744 H SER 90 H SER 90 -3.119 8.560 -10.889 745 HA SER 90 HA SER 90 -3.491 10.779 -12.720 746 HB2 SER 90 2HB SER 90 -5.739 10.538 -11.612 747 HB3 SER 90 1HB SER 90 -4.972 10.832 -10.056 748 HG SER 90 HG SER 90 -5.963 12.696 -11.131 749 H SER 91 H SER 91 -3.169 12.850 -10.686 750 HA SER 91 HA SER 91 -0.309 12.752 -10.746 751 HB2 SER 91 2HB SER 91 -0.576 15.162 -9.873 752 HB3 SER 91 1HB SER 91 -1.286 14.791 -11.444 753 HG SER 91 HG SER 91 -3.200 15.162 -10.668 754 H LEU 92 H LEU 92 0.647 11.487 -9.243 755 HA LEU 92 HA LEU 92 0.407 12.063 -6.372 756 HB2 LEU 92 2HB LEU 92 2.351 10.299 -7.942 757 HB3 LEU 92 1HB LEU 92 2.349 10.449 -6.193 758 HG LEU 92 HG LEU 92 0.207 9.150 -7.924 759 HD11 LEU 92 1HD1 LEU 92 0.780 7.109 -6.676 760 HD12 LEU 92 2HD1 LEU 92 2.037 7.985 -5.796 761 HD13 LEU 92 3HD1 LEU 92 2.175 7.754 -7.541 762 HD21 LEU 92 1HD2 LEU 92 0.124 9.616 -4.928 763 HD22 LEU 92 2HD2 LEU 92 -1.012 8.632 -5.853 764 HD23 LEU 92 3HD2 LEU 92 -0.922 10.368 -6.135 765 H ILE 93 H ILE 93 3.259 12.047 -5.752 766 HA ILE 93 HA ILE 93 4.298 14.583 -6.169 767 HB ILE 93 HB ILE 93 5.834 11.951 -5.972 768 HG12 ILE 93 2HG1 ILE 93 5.081 13.971 -3.811 769 HG13 ILE 93 1HG1 ILE 93 4.376 12.374 -4.029 770 HG21 ILE 93 1HG2 ILE 93 7.815 13.253 -5.260 771 HG22 ILE 93 2HG2 ILE 93 6.944 14.756 -5.571 772 HG23 ILE 93 3HG2 ILE 93 7.330 13.669 -6.905 773 HD11 ILE 93 1HD1 ILE 93 7.226 12.967 -3.236 774 HD12 ILE 93 2HD1 ILE 93 6.549 11.358 -3.506 775 HD13 ILE 93 3HD1 ILE 93 5.933 12.366 -2.198 776 H GLY 94 H GLY 94 4.595 11.737 -8.221 777 HA2 GLY 94 2HA GLY 94 4.498 13.094 -10.668 778 HA3 GLY 94 1HA GLY 94 6.191 12.743 -10.305 779 H GLN 95 H GLN 95 5.614 11.513 -12.434 780 HA GLN 95 HA GLN 95 4.392 8.921 -12.079 781 HB2 GLN 95 2HB GLN 95 6.029 10.123 -14.348 782 HB3 GLN 95 1HB GLN 95 5.398 8.479 -14.393 783 HG2 GLN 95 2HG GLN 95 3.751 11.011 -14.175 784 HG3 GLN 95 1HG GLN 95 3.946 10.015 -15.619 785 HE21 GLN 95 1HE2 GLN 95 3.720 7.441 -14.278 786 HE22 GLN 95 2HE2 GLN 95 2.074 7.289 -13.773 787 H SER 96 H SER 96 5.472 6.919 -12.159 788 HA SER 96 HA SER 96 6.888 5.327 -11.535 789 HB2 SER 96 2HB SER 96 8.604 6.326 -12.988 790 HB3 SER 96 1HB SER 96 9.117 7.382 -11.676 791 HG SER 96 HG SER 96 10.277 5.808 -10.927 792 H THR 97 H THR 97 6.423 8.118 -9.637 793 HA THR 97 HA THR 97 8.011 7.656 -7.380 794 HB THR 97 HB THR 97 5.306 9.058 -7.543 795 HG1 THR 97 HG1 THR 97 7.742 9.718 -8.476 796 HG21 THR 97 1HG2 THR 97 5.895 8.497 -5.184 797 HG22 THR 97 2HG2 THR 97 5.979 10.235 -5.475 798 HG23 THR 97 3HG2 THR 97 7.463 9.285 -5.396 799 H ARG 98 H ARG 98 4.811 6.362 -8.227 800 HA ARG 98 HA ARG 98 4.017 5.336 -5.774 801 HB2 ARG 98 2HB ARG 98 2.596 3.738 -7.090 802 HB3 ARG 98 1HB ARG 98 2.440 5.414 -7.591 803 HG2 ARG 98 2HG ARG 98 3.143 4.979 -9.722 804 HG3 ARG 98 1HG ARG 98 4.474 3.959 -9.176 805 HD2 ARG 98 2HD ARG 98 1.577 3.125 -9.551 806 HD3 ARG 98 1HD ARG 98 2.968 2.624 -10.519 807 HE ARG 98 HE ARG 98 2.807 1.964 -7.639 808 HH11 ARG 98 1HH1 ARG 98 3.077 0.775 -10.948 809 HH12 ARG 98 2HH1 ARG 98 3.389 -0.854 -10.449 810 HH21 ARG 98 1HH2 ARG 98 3.127 -0.165 -7.010 811 HH22 ARG 98 2HH2 ARG 98 3.416 -1.400 -8.202 812 H GLN 99 H GLN 99 5.843 3.607 -8.366 813 HA GLN 99 HA GLN 99 5.931 1.166 -6.820 814 HB2 GLN 99 2HB GLN 99 5.617 1.293 -9.337 815 HB3 GLN 99 1HB GLN 99 7.291 1.798 -9.477 816 HG2 GLN 99 2HG GLN 99 6.515 -0.822 -8.171 817 HG3 GLN 99 1HG GLN 99 6.722 -0.688 -9.914 818 HE21 GLN 99 1HE2 GLN 99 8.217 -2.238 -7.870 819 HE22 GLN 99 2HE2 GLN 99 9.871 -1.803 -8.092 820 H LYS 100 H LYS 100 8.172 3.718 -7.864 821 HA LYS 100 HA LYS 100 10.565 2.506 -7.025 822 HB2 LYS 100 2HB LYS 100 10.441 4.456 -8.591 823 HB3 LYS 100 1HB LYS 100 9.961 5.485 -7.246 824 HG2 LYS 100 2HG LYS 100 12.323 5.821 -7.705 825 HG3 LYS 100 1HG LYS 100 12.150 5.035 -6.137 826 HD2 LYS 100 2HD LYS 100 14.001 4.017 -7.355 827 HD3 LYS 100 1HD LYS 100 12.692 2.844 -7.206 828 HE2 LYS 100 2HE LYS 100 13.660 2.767 -9.458 829 HE3 LYS 100 1HE LYS 100 11.998 3.349 -9.543 830 HZ1 LYS 100 1HZ LYS 100 14.459 5.010 -9.673 831 HZ2 LYS 100 2HZ LYS 100 12.885 5.627 -9.683 832 HZ3 LYS 100 3HZ LYS 100 13.421 4.656 -10.958 833 H SER 101 H SER 101 8.485 4.922 -5.355 834 HA SER 101 HA SER 101 10.177 5.079 -3.048 835 HB2 SER 101 2HB SER 101 8.784 7.000 -3.774 836 HB3 SER 101 1HB SER 101 7.318 6.085 -3.424 837 HG SER 101 HG SER 101 7.592 6.431 -1.345 838 H LEU 102 H LEU 102 7.160 3.244 -3.827 839 HA LEU 102 HA LEU 102 6.799 2.400 -1.084 840 HB2 LEU 102 2HB LEU 102 5.107 2.528 -3.230 841 HB3 LEU 102 1HB LEU 102 5.476 0.817 -3.258 842 HG LEU 102 HG LEU 102 4.705 0.688 -0.836 843 HD11 LEU 102 1HD1 LEU 102 3.793 3.541 -1.338 844 HD12 LEU 102 2HD1 LEU 102 5.020 3.006 -0.182 845 HD13 LEU 102 3HD1 LEU 102 3.336 2.543 0.049 846 HD21 LEU 102 1HD2 LEU 102 2.642 1.644 -2.850 847 HD22 LEU 102 2HD2 LEU 102 2.297 0.761 -1.359 848 HD23 LEU 102 3HD2 LEU 102 3.217 -0.015 -2.647 849 H ASN 103 H ASN 103 8.415 1.004 -3.904 850 HA ASN 103 HA ASN 103 8.979 -1.559 -2.672 851 HB2 ASN 103 2HB ASN 103 8.757 -1.321 -5.150 852 HB3 ASN 103 1HB ASN 103 10.191 -0.304 -5.179 853 HD21 ASN 103 1HD2 ASN 103 9.002 -3.574 -4.762 854 HD22 ASN 103 2HD2 ASN 103 10.528 -4.360 -4.952 855 H ASN 104 H ASN 104 10.641 1.544 -3.041 856 HA ASN 104 HA ASN 104 13.162 0.863 -1.903 857 HB2 ASN 104 2HB ASN 104 12.731 2.989 -3.152 858 HB3 ASN 104 1HB ASN 104 11.669 3.534 -1.859 859 HD21 ASN 104 1HD2 ASN 104 12.885 5.378 -1.427 860 HD22 ASN 104 2HD2 ASN 104 14.461 5.329 -0.722 861 H ALA 105 H ALA 105 10.074 1.939 -0.571 862 HA ALA 105 HA ALA 105 10.711 2.152 2.150 863 HB1 ALA 105 1HB ALA 105 8.606 2.993 1.174 864 HB2 ALA 105 2HB ALA 105 8.293 1.921 2.541 865 HB3 ALA 105 3HB ALA 105 8.069 1.336 0.890 866 H TYR 106 H TYR 106 9.369 -0.633 0.302 867 HA TYR 106 HA TYR 106 9.409 -2.570 2.303 868 HB2 TYR 106 2HB TYR 106 8.452 -2.829 -0.059 869 HB3 TYR 106 1HB TYR 106 10.090 -3.124 -0.621 870 HD1 TYR 106 HD1 TYR 106 11.351 -5.142 0.767 871 HD2 TYR 106 HD2 TYR 106 7.131 -4.715 0.421 872 HE1 TYR 106 HE1 TYR 106 11.091 -7.531 1.220 873 HE2 TYR 106 HE2 TYR 106 6.874 -7.099 0.902 874 HH TYR 106 HH TYR 106 9.256 -9.017 2.174 875 H GLY 107 H GLY 107 12.033 -1.539 0.099 876 HA2 GLY 107 2HA GLY 107 13.963 -3.482 0.691 877 HA3 GLY 107 1HA GLY 107 14.301 -1.867 0.090 878 H ARG 108 H ARG 108 13.403 -0.307 2.183 879 HA ARG 108 HA ARG 108 15.547 -0.429 4.051 880 HB2 ARG 108 2HB ARG 108 12.987 1.228 4.042 881 HB3 ARG 108 1HB ARG 108 14.300 1.455 5.198 882 HG2 ARG 108 2HG ARG 108 15.832 2.068 3.395 883 HG3 ARG 108 1HG ARG 108 14.578 1.757 2.191 884 HD2 ARG 108 2HD ARG 108 13.221 3.588 3.096 885 HD3 ARG 108 1HD ARG 108 14.422 3.877 4.365 886 HE ARG 108 HE ARG 108 15.851 4.101 2.054 887 HH11 ARG 108 1HH1 ARG 108 12.944 5.691 3.242 888 HH12 ARG 108 2HH1 ARG 108 13.255 7.161 2.373 889 HH21 ARG 108 1HH2 ARG 108 16.256 6.033 0.934 890 HH22 ARG 108 2HH2 ARG 108 15.137 7.356 1.062 891 H LEU 109 H LEU 109 12.126 -1.405 4.183 892 HA LEU 109 HA LEU 109 12.069 -1.931 7.009 893 HB2 LEU 109 2HB LEU 109 10.055 -1.334 5.712 894 HB3 LEU 109 1HB LEU 109 10.162 -2.849 4.833 895 HG LEU 109 HG LEU 109 9.667 -4.120 6.903 896 HD11 LEU 109 1HD1 LEU 109 10.679 -2.671 8.600 897 HD12 LEU 109 2HD1 LEU 109 8.994 -2.995 8.991 898 HD13 LEU 109 3HD1 LEU 109 9.457 -1.429 8.312 899 HD21 LEU 109 1HD2 LEU 109 7.346 -3.449 7.172 900 HD22 LEU 109 2HD2 LEU 109 7.826 -3.372 5.479 901 HD23 LEU 109 3HD2 LEU 109 7.687 -1.886 6.423 902 H SER 110 H SER 110 12.833 -3.803 4.190 903 HA SER 110 HA SER 110 12.864 -6.381 5.494 904 HB2 SER 110 2HB SER 110 12.311 -6.141 3.064 905 HB3 SER 110 1HB SER 110 13.932 -5.518 2.759 906 HG SER 110 HG SER 110 13.876 -7.926 4.098 907 H GLY 111 H GLY 111 15.153 -3.752 4.717 908 HA2 GLY 111 2HA GLY 111 17.493 -5.367 5.407 909 HA3 GLY 111 1HA GLY 111 17.485 -3.694 4.886 910 H MET 112 H MET 112 16.401 -2.129 6.632 911 HA MET 112 HA MET 112 17.655 -2.758 9.226 912 HB2 MET 112 2HB MET 112 17.065 -0.241 7.737 913 HB3 MET 112 1HB MET 112 16.820 -0.133 9.470 914 HG2 MET 112 2HG MET 112 19.389 -0.990 8.126 915 HG3 MET 112 1HG MET 112 19.060 0.603 8.802 916 HE1 MET 112 1HE MET 112 17.373 -0.400 11.510 917 HE2 MET 112 2HE MET 112 18.506 0.955 11.429 918 HE3 MET 112 3HE MET 112 18.715 -0.297 12.650 919 H LEU 113 H LEU 113 14.649 -0.976 8.332 920 HA LEU 113 HA LEU 113 12.738 -2.388 9.761 921 HB2 LEU 113 2HB LEU 113 14.399 -1.732 11.713 922 HB3 LEU 113 1HB LEU 113 13.719 -0.123 11.563 923 HG LEU 113 HG LEU 113 11.461 -1.032 12.107 924 HD11 LEU 113 1HD1 LEU 113 11.203 -3.325 12.945 925 HD12 LEU 113 2HD1 LEU 113 12.874 -3.684 12.495 926 HD13 LEU 113 3HD1 LEU 113 11.683 -3.286 11.249 927 HD21 LEU 113 1HD2 LEU 113 11.812 -1.448 14.490 928 HD22 LEU 113 2HD2 LEU 113 12.846 -0.140 13.925 929 HD23 LEU 113 3HD2 LEU 113 13.534 -1.739 14.208 930 H LEU 114 H LEU 114 13.201 -0.540 7.520 931 HA LEU 114 HA LEU 114 12.014 0.797 6.177 932 HB2 LEU 114 2HB LEU 114 9.915 0.108 7.248 933 HB3 LEU 114 1HB LEU 114 10.136 1.311 8.498 934 HG LEU 114 HG LEU 114 9.805 3.127 6.848 935 HD11 LEU 114 1HD1 LEU 114 9.089 2.670 4.564 936 HD12 LEU 114 2HD1 LEU 114 9.341 0.939 4.810 937 HD13 LEU 114 3HD1 LEU 114 10.713 2.051 4.860 938 HD21 LEU 114 1HD2 LEU 114 7.576 1.071 6.755 939 HD22 LEU 114 2HD2 LEU 114 7.422 2.793 6.390 940 HD23 LEU 114 3HD2 LEU 114 7.839 2.273 8.022 941 H VAL 115 H VAL 115 13.534 1.787 9.008 942 HA VAL 115 HA VAL 115 13.555 4.606 8.636 943 HB VAL 115 HB VAL 115 15.581 4.613 10.077 944 HG11 VAL 115 1HG1 VAL 115 14.569 3.626 12.098 945 HG12 VAL 115 2HG1 VAL 115 13.398 2.763 11.097 946 HG13 VAL 115 3HG1 VAL 115 13.384 4.527 11.149 947 HG21 VAL 115 1HG2 VAL 115 16.511 2.504 10.996 948 HG22 VAL 115 2HG2 VAL 115 16.729 2.605 9.249 949 HG23 VAL 115 3HG2 VAL 115 15.465 1.572 9.918 950 HA PRO 116 HA PRO 116 16.241 4.949 5.032 951 HB2 PRO 116 2HB PRO 116 17.175 7.571 6.149 952 HB3 PRO 116 1HB PRO 116 16.315 7.239 4.630 953 HG2 PRO 116 2HG PRO 116 15.077 8.442 6.671 954 HG3 PRO 116 1HG PRO 116 14.215 7.272 5.642 955 HD2 PRO 116 2HD PRO 116 15.434 6.843 8.374 956 HD3 PRO 116 1HD PRO 116 13.846 6.322 7.758 957 H ASP 117 H ASP 117 18.499 5.257 4.461 958 HA ASP 117 HA ASP 117 20.624 4.577 4.478 959 HB2 ASP 117 2HB ASP 117 20.704 5.633 7.338 960 HB3 ASP 117 1HB ASP 117 22.096 5.362 6.294 961 H ALA 118 H ALA 118 19.920 2.412 4.276 962 HA ALA 118 HA ALA 118 20.182 0.688 6.674 963 HB1 ALA 118 1HB ALA 118 18.823 -0.970 5.444 964 HB2 ALA 118 2HB ALA 118 18.730 0.124 4.061 965 HB3 ALA 118 3HB ALA 118 17.970 0.570 5.588 966 HA PRO 119 HA PRO 119 23.992 -0.497 4.252 967 HB2 PRO 119 2HB PRO 119 25.647 -0.864 6.394 968 HB3 PRO 119 1HB PRO 119 25.284 0.760 5.767 969 HG2 PRO 119 2HG PRO 119 24.061 -0.662 8.117 970 HG3 PRO 119 1HG PRO 119 24.655 1.013 8.006 971 HD2 PRO 119 2HD PRO 119 22.005 0.379 7.771 972 HD3 PRO 119 1HD PRO 119 22.731 1.766 6.928 973 H GLY 120 H GLY 120 21.942 -2.016 6.530 974 HA2 GLY 120 2HA GLY 120 21.447 -4.405 5.848 975 HA3 GLY 120 1HA GLY 120 23.163 -4.696 6.121 976 H ALA 121 H ALA 121 20.503 -5.554 7.472 977 HA ALA 121 HA ALA 121 21.616 -5.624 10.168 978 HB1 ALA 121 1HB ALA 121 20.232 -3.561 10.204 979 HB2 ALA 121 2HB ALA 121 19.570 -4.806 11.261 980 HB3 ALA 121 3HB ALA 121 18.824 -4.496 9.693 981 H SER 122 H SER 122 20.582 -7.196 11.526 982 HA SER 122 HA SER 122 19.454 -9.474 10.027 983 HB2 SER 122 2HB SER 122 21.611 -9.804 11.260 984 HB3 SER 122 1HB SER 122 20.810 -9.389 12.774 985 HG SER 122 HG SER 122 19.472 -11.349 11.467 Start of MODEL 7 1 H1 MET 1 1H MET 1 -0.139 2.039 21.546 2 H2 MET 1 2H MET 1 1.068 0.989 22.062 3 H3 MET 1 3H MET 1 0.302 0.719 20.587 4 HA MET 1 HA MET 1 1.965 3.051 21.278 5 HB2 MET 1 2HB MET 1 3.670 2.079 19.756 6 HB3 MET 1 1HB MET 1 3.357 1.059 21.146 7 HG2 MET 1 2HG MET 1 2.372 0.586 18.328 8 HG3 MET 1 1HG MET 1 3.684 -0.268 19.133 9 HE1 MET 1 1HE MET 1 2.529 -2.562 18.372 10 HE2 MET 1 2HE MET 1 1.188 -1.686 17.631 11 HE3 MET 1 3HE MET 1 0.867 -2.992 18.772 12 H THR 2 H THR 2 0.969 4.722 20.351 13 HA THR 2 HA THR 2 -1.187 4.505 18.598 14 HB THR 2 HB THR 2 -1.049 7.039 18.476 15 HG1 THR 2 HG1 THR 2 0.814 7.908 18.940 16 HG21 THR 2 1HG2 THR 2 -0.821 5.812 21.247 17 HG22 THR 2 2HG2 THR 2 -2.304 5.944 20.299 18 HG23 THR 2 3HG2 THR 2 -1.496 7.400 20.885 19 H SER 3 H SER 3 2.140 5.630 17.867 20 HA SER 3 HA SER 3 1.616 6.428 15.200 21 HB2 SER 3 2HB SER 3 4.283 5.656 16.459 22 HB3 SER 3 1HB SER 3 4.073 6.568 14.962 23 HG SER 3 HG SER 3 3.432 8.285 16.062 24 H THR 4 H THR 4 2.736 3.361 16.604 25 HA THR 4 HA THR 4 3.423 2.165 14.084 26 HB THR 4 HB THR 4 3.006 0.703 16.721 27 HG1 THR 4 HG1 THR 4 5.459 0.993 16.635 28 HG21 THR 4 1HG2 THR 4 3.188 -0.793 14.755 29 HG22 THR 4 2HG2 THR 4 4.625 -0.916 15.770 30 HG23 THR 4 3HG2 THR 4 4.684 0.015 14.272 31 H VAL 5 H VAL 5 0.587 1.957 16.243 32 HA VAL 5 HA VAL 5 -0.766 -0.084 14.765 33 HB VAL 5 HB VAL 5 -1.936 2.031 16.641 34 HG11 VAL 5 1HG1 VAL 5 -3.239 -0.514 15.581 35 HG12 VAL 5 2HG1 VAL 5 -3.698 1.139 15.166 36 HG13 VAL 5 3HG1 VAL 5 -3.924 0.552 16.813 37 HG21 VAL 5 1HG2 VAL 5 -1.939 0.245 18.344 38 HG22 VAL 5 2HG2 VAL 5 -0.304 0.550 17.755 39 HG23 VAL 5 3HG2 VAL 5 -1.190 -0.870 17.196 40 H GLU 6 H GLU 6 -0.809 3.467 14.700 41 HA GLU 6 HA GLU 6 -2.735 3.842 12.652 42 HB2 GLU 6 2HB GLU 6 -1.790 5.533 14.340 43 HB3 GLU 6 1HB GLU 6 -0.388 5.684 13.299 44 HG2 GLU 6 2HG GLU 6 -3.195 6.248 12.297 45 HG3 GLU 6 1HG GLU 6 -2.254 7.466 13.144 46 H PHE 7 H PHE 7 0.751 3.304 12.618 47 HA PHE 7 HA PHE 7 1.318 3.680 9.885 48 HB2 PHE 7 2HB PHE 7 3.036 3.690 11.579 49 HB3 PHE 7 1HB PHE 7 2.649 2.055 12.077 50 HD1 PHE 7 HD1 PHE 7 3.929 3.986 9.113 51 HD2 PHE 7 HD2 PHE 7 3.972 0.301 11.282 52 HE1 PHE 7 HE1 PHE 7 5.787 3.183 7.725 53 HE2 PHE 7 HE2 PHE 7 5.815 -0.496 9.880 54 HZ PHE 7 HZ PHE 7 6.726 0.940 8.115 55 H ILE 8 H ILE 8 0.567 0.668 11.703 56 HA ILE 8 HA ILE 8 0.585 -1.105 9.491 57 HB ILE 8 HB ILE 8 -1.014 -1.356 12.088 58 HG12 ILE 8 2HG1 ILE 8 1.699 -2.586 11.391 59 HG13 ILE 8 1HG1 ILE 8 1.489 -1.167 12.407 60 HG21 ILE 8 1HG2 ILE 8 -1.107 -3.791 11.603 61 HG22 ILE 8 2HG2 ILE 8 -0.303 -3.516 10.058 62 HG23 ILE 8 3HG2 ILE 8 -1.913 -2.855 10.339 63 HD11 ILE 8 1HD1 ILE 8 1.875 -3.119 13.755 64 HD12 ILE 8 2HD1 ILE 8 0.516 -3.956 13.009 65 HD13 ILE 8 3HD1 ILE 8 0.233 -2.536 14.022 66 H ASN 9 H ASN 9 -1.910 0.920 10.960 67 HA ASN 9 HA ASN 9 -4.188 0.110 9.511 68 HB2 ASN 9 2HB ASN 9 -4.374 1.412 11.556 69 HB3 ASN 9 1HB ASN 9 -3.448 2.733 10.869 70 HD21 ASN 9 1HD2 ASN 9 -6.098 1.069 9.172 71 HD22 ASN 9 2HD2 ASN 9 -7.169 2.420 9.207 72 H ARG 10 H ARG 10 -1.665 2.506 8.804 73 HA ARG 10 HA ARG 10 -2.631 3.628 6.411 74 HB2 ARG 10 2HB ARG 10 0.243 2.969 7.193 75 HB3 ARG 10 1HB ARG 10 -0.204 3.979 5.832 76 HG2 ARG 10 2HG ARG 10 -1.137 5.653 7.333 77 HG3 ARG 10 1HG ARG 10 -0.814 4.618 8.719 78 HD2 ARG 10 2HD ARG 10 1.704 4.752 7.695 79 HD3 ARG 10 1HD ARG 10 1.074 6.303 7.121 80 HE ARG 10 HE ARG 10 0.358 6.322 9.713 81 HH11 ARG 10 1HH1 ARG 10 3.475 5.733 8.183 82 HH12 ARG 10 2HH1 ARG 10 4.384 6.316 9.541 83 HH21 ARG 10 1HH2 ARG 10 1.535 7.038 11.478 84 HH22 ARG 10 2HH2 ARG 10 3.277 7.062 11.427 85 H TRP 11 H TRP 11 -0.426 0.877 6.942 86 HA TRP 11 HA TRP 11 -0.323 0.158 4.186 87 HB2 TRP 11 2HB TRP 11 0.612 -1.308 6.677 88 HB3 TRP 11 1HB TRP 11 0.909 -1.884 5.034 89 HD1 TRP 11 HD1 TRP 11 2.485 0.257 7.604 90 HE1 TRP 11 HE1 TRP 11 4.368 1.655 6.576 91 HE3 TRP 11 HE3 TRP 11 1.444 -0.416 2.642 92 HZ2 TRP 11 HZ2 TRP 11 5.311 2.403 4.052 93 HZ3 TRP 11 HZ3 TRP 11 2.881 0.690 0.986 94 HH2 TRP 11 HH2 TRP 11 4.777 2.076 1.672 95 H GLN 12 H GLN 12 -2.501 -0.765 6.744 96 HA GLN 12 HA GLN 12 -3.640 -3.074 5.513 97 HB2 GLN 12 2HB GLN 12 -4.817 -1.087 7.519 98 HB3 GLN 12 1HB GLN 12 -5.696 -2.502 6.941 99 HG2 GLN 12 2HG GLN 12 -3.985 -3.977 7.899 100 HG3 GLN 12 1HG GLN 12 -3.071 -2.581 8.454 101 HE21 GLN 12 1HE2 GLN 12 -5.849 -4.590 9.032 102 HE22 GLN 12 2HE2 GLN 12 -6.249 -3.935 10.580 103 H ARG 13 H ARG 13 -4.445 0.379 5.571 104 HA ARG 13 HA ARG 13 -6.730 0.363 3.972 105 HB2 ARG 13 2HB ARG 13 -5.940 2.284 5.385 106 HB3 ARG 13 1HB ARG 13 -4.652 2.585 4.223 107 HG2 ARG 13 2HG ARG 13 -6.439 4.160 3.814 108 HG3 ARG 13 1HG ARG 13 -6.388 3.015 2.471 109 HD2 ARG 13 2HD ARG 13 -8.270 1.747 3.533 110 HD3 ARG 13 1HD ARG 13 -8.357 2.973 4.798 111 HE ARG 13 HE ARG 13 -9.504 3.091 2.222 112 HH11 ARG 13 1HH1 ARG 13 -7.954 5.244 4.544 113 HH12 ARG 13 2HH1 ARG 13 -8.747 6.656 3.922 114 HH21 ARG 13 1HH2 ARG 13 -10.466 4.941 1.408 115 HH22 ARG 13 2HH2 ARG 13 -10.165 6.479 2.148 116 H ILE 14 H ILE 14 -3.314 0.820 3.047 117 HA ILE 14 HA ILE 14 -3.791 1.322 0.283 118 HB ILE 14 HB ILE 14 -1.182 0.335 1.541 119 HG12 ILE 14 2HG1 ILE 14 -2.071 3.236 1.106 120 HG13 ILE 14 1HG1 ILE 14 -1.978 2.433 2.670 121 HG21 ILE 14 1HG2 ILE 14 -1.656 1.919 -1.015 122 HG22 ILE 14 2HG2 ILE 14 -1.290 0.198 -0.939 123 HG23 ILE 14 3HG2 ILE 14 -0.094 1.374 -0.400 124 HD11 ILE 14 1HD1 ILE 14 0.396 2.851 0.854 125 HD12 ILE 14 2HD1 ILE 14 0.405 2.266 2.521 126 HD13 ILE 14 3HD1 ILE 14 -0.069 3.924 2.167 127 H ALA 15 H ALA 15 -2.795 -1.596 2.117 128 HA ALA 15 HA ALA 15 -2.379 -3.366 -0.040 129 HB1 ALA 15 1HB ALA 15 -3.243 -4.019 2.805 130 HB2 ALA 15 2HB ALA 15 -1.586 -3.795 2.252 131 HB3 ALA 15 3HB ALA 15 -2.527 -5.153 1.645 132 H LEU 16 H LEU 16 -5.238 -2.692 1.878 133 HA LEU 16 HA LEU 16 -6.886 -4.790 0.818 134 HB2 LEU 16 2HB LEU 16 -7.641 -2.318 2.422 135 HB3 LEU 16 1HB LEU 16 -8.773 -3.589 1.994 136 HG LEU 16 HG LEU 16 -6.372 -3.882 3.849 137 HD11 LEU 16 1HD1 LEU 16 -8.218 -2.639 4.864 138 HD12 LEU 16 2HD1 LEU 16 -8.046 -4.219 5.622 139 HD13 LEU 16 3HD1 LEU 16 -9.346 -3.936 4.461 140 HD21 LEU 16 1HD2 LEU 16 -6.695 -5.960 2.601 141 HD22 LEU 16 2HD2 LEU 16 -8.400 -5.993 3.053 142 HD23 LEU 16 3HD2 LEU 16 -7.155 -6.168 4.291 143 H LEU 17 H LEU 17 -6.656 -1.266 0.234 144 HA LEU 17 HA LEU 17 -8.840 -1.204 -1.620 145 HB2 LEU 17 2HB LEU 17 -6.678 0.837 -1.031 146 HB3 LEU 17 1HB LEU 17 -7.936 1.106 -2.224 147 HG LEU 17 HG LEU 17 -8.313 0.816 0.781 148 HD11 LEU 17 1HD1 LEU 17 -9.147 3.130 0.631 149 HD12 LEU 17 2HD1 LEU 17 -8.816 3.148 -1.104 150 HD13 LEU 17 3HD1 LEU 17 -7.487 3.005 0.049 151 HD21 LEU 17 1HD2 LEU 17 -10.726 1.175 0.391 152 HD22 LEU 17 2HD2 LEU 17 -10.173 -0.334 -0.331 153 HD23 LEU 17 3HD2 LEU 17 -10.466 1.077 -1.352 154 H SER 18 H SER 18 -5.332 -1.634 -2.025 155 HA SER 18 HA SER 18 -5.317 -1.368 -4.890 156 HB2 SER 18 2HB SER 18 -3.092 -2.463 -4.764 157 HB3 SER 18 1HB SER 18 -3.242 -1.186 -3.554 158 HG SER 18 HG SER 18 -3.454 -2.677 -1.978 159 H GLN 19 H GLN 19 -5.581 -4.112 -2.626 160 HA GLN 19 HA GLN 19 -5.892 -6.244 -4.412 161 HB2 GLN 19 2HB GLN 19 -5.644 -6.457 -1.932 162 HB3 GLN 19 1HB GLN 19 -7.270 -5.820 -1.722 163 HG2 GLN 19 2HG GLN 19 -7.330 -8.218 -1.451 164 HG3 GLN 19 1HG GLN 19 -8.170 -7.805 -2.944 165 HE21 GLN 19 1HE2 GLN 19 -5.416 -9.376 -1.555 166 HE22 GLN 19 2HE2 GLN 19 -4.836 -10.122 -3.003 167 H SER 20 H SER 20 -8.284 -3.977 -3.100 168 HA SER 20 HA SER 20 -10.611 -4.944 -4.309 169 HB2 SER 20 2HB SER 20 -9.920 -2.074 -3.551 170 HB3 SER 20 1HB SER 20 -11.540 -2.671 -3.917 171 HG SER 20 HG SER 20 -10.103 -4.044 -1.967 172 H LEU 21 H LEU 21 -8.445 -2.273 -5.385 173 HA LEU 21 HA LEU 21 -9.812 -1.614 -7.730 174 HB2 LEU 21 2HB LEU 21 -6.850 -1.243 -7.132 175 HB3 LEU 21 1HB LEU 21 -7.698 -0.489 -8.469 176 HG LEU 21 HG LEU 21 -8.054 0.104 -5.508 177 HD11 LEU 21 1HD1 LEU 21 -7.278 2.358 -6.106 178 HD12 LEU 21 2HD1 LEU 21 -7.067 1.850 -7.785 179 HD13 LEU 21 3HD1 LEU 21 -6.080 1.130 -6.511 180 HD21 LEU 21 1HD2 LEU 21 -10.271 0.173 -6.556 181 HD22 LEU 21 2HD2 LEU 21 -9.662 1.273 -7.796 182 HD23 LEU 21 3HD2 LEU 21 -9.724 1.790 -6.110 183 H LEU 22 H LEU 22 -7.328 -4.060 -7.124 184 HA LEU 22 HA LEU 22 -6.726 -4.749 -9.794 185 HB2 LEU 22 2HB LEU 22 -5.299 -5.490 -7.924 186 HB3 LEU 22 1HB LEU 22 -6.603 -6.488 -7.296 187 HG LEU 22 HG LEU 22 -6.500 -7.879 -9.404 188 HD11 LEU 22 1HD1 LEU 22 -4.558 -7.703 -10.897 189 HD12 LEU 22 2HD1 LEU 22 -4.027 -6.246 -10.054 190 HD13 LEU 22 3HD1 LEU 22 -5.552 -6.248 -10.944 191 HD21 LEU 22 1HD2 LEU 22 -4.476 -9.126 -8.817 192 HD22 LEU 22 2HD2 LEU 22 -5.353 -8.635 -7.370 193 HD23 LEU 22 3HD2 LEU 22 -3.895 -7.766 -7.851 194 H GLU 23 H GLU 23 -8.838 -6.432 -7.431 195 HA GLU 23 HA GLU 23 -9.911 -8.317 -9.206 196 HB2 GLU 23 2HB GLU 23 -11.192 -7.161 -6.697 197 HB3 GLU 23 1HB GLU 23 -11.738 -8.617 -7.524 198 HG2 GLU 23 2HG GLU 23 -9.511 -9.667 -7.054 199 HG3 GLU 23 1HG GLU 23 -9.064 -8.229 -6.137 200 H LEU 24 H LEU 24 -11.151 -5.153 -8.220 201 HA LEU 24 HA LEU 24 -13.646 -5.208 -9.513 202 HB2 LEU 24 2HB LEU 24 -11.949 -2.841 -8.635 203 HB3 LEU 24 1HB LEU 24 -13.621 -2.709 -9.164 204 HG LEU 24 HG LEU 24 -12.683 -4.251 -6.708 205 HD11 LEU 24 1HD1 LEU 24 -12.406 -1.833 -6.402 206 HD12 LEU 24 2HD1 LEU 24 -13.687 -2.462 -5.370 207 HD13 LEU 24 3HD1 LEU 24 -14.097 -1.569 -6.838 208 HD21 LEU 24 1HD2 LEU 24 -15.073 -4.445 -6.146 209 HD22 LEU 24 2HD2 LEU 24 -14.687 -5.256 -7.661 210 HD23 LEU 24 3HD2 LEU 24 -15.498 -3.687 -7.681 211 H ALA 25 H ALA 25 -10.470 -3.979 -10.594 212 HA ALA 25 HA ALA 25 -11.248 -2.841 -13.064 213 HB1 ALA 25 1HB ALA 25 -8.616 -4.198 -12.379 214 HB2 ALA 25 2HB ALA 25 -9.013 -2.512 -12.058 215 HB3 ALA 25 3HB ALA 25 -8.894 -3.077 -13.724 216 H GLN 26 H GLN 26 -10.187 -6.119 -12.216 217 HA GLN 26 HA GLN 26 -10.430 -7.291 -14.809 218 HB2 GLN 26 2HB GLN 26 -10.545 -8.596 -12.059 219 HB3 GLN 26 1HB GLN 26 -10.262 -9.444 -13.580 220 HG2 GLN 26 2HG GLN 26 -8.120 -8.421 -13.868 221 HG3 GLN 26 1HG GLN 26 -8.424 -7.244 -12.590 222 HE21 GLN 26 1HE2 GLN 26 -6.176 -9.023 -12.821 223 HE22 GLN 26 2HE2 GLN 26 -6.178 -10.024 -11.414 224 H ARG 27 H ARG 27 -12.728 -6.785 -12.180 225 HA ARG 27 HA ARG 27 -14.837 -8.484 -13.178 226 HB2 ARG 27 2HB ARG 27 -14.853 -6.229 -11.124 227 HB3 ARG 27 1HB ARG 27 -16.249 -7.242 -11.469 228 HG2 ARG 27 2HG ARG 27 -15.076 -9.213 -10.625 229 HG3 ARG 27 1HG ARG 27 -13.612 -8.266 -10.388 230 HD2 ARG 27 2HD ARG 27 -14.999 -6.804 -8.778 231 HD3 ARG 27 1HD ARG 27 -16.219 -8.078 -8.845 232 HE ARG 27 HE ARG 27 -13.697 -8.118 -7.439 233 HH11 ARG 27 1HH1 ARG 27 -16.173 -10.201 -8.807 234 HH12 ARG 27 2HH1 ARG 27 -15.769 -11.547 -7.789 235 HH21 ARG 27 1HH2 ARG 27 -13.180 -9.878 -6.109 236 HH22 ARG 27 2HH2 ARG 27 -14.071 -11.359 -6.264 237 H GLY 28 H GLY 28 -13.717 -5.313 -13.954 238 HA2 GLY 28 2HA GLY 28 -14.438 -3.990 -15.756 239 HA3 GLY 28 1HA GLY 28 -16.000 -4.796 -15.739 240 H GLU 29 H GLU 29 -15.144 -3.999 -12.610 241 HA GLU 29 HA GLU 29 -17.038 -1.814 -12.431 242 HB2 GLU 29 2HB GLU 29 -15.321 -2.835 -10.138 243 HB3 GLU 29 1HB GLU 29 -16.906 -2.085 -10.055 244 HG2 GLU 29 2HG GLU 29 -16.253 -4.877 -11.003 245 HG3 GLU 29 1HG GLU 29 -17.060 -4.436 -9.502 246 H TRP 30 H TRP 30 -15.148 -0.835 -14.021 247 HA TRP 30 HA TRP 30 -12.891 0.374 -12.817 248 HB2 TRP 30 2HB TRP 30 -14.312 1.020 -15.433 249 HB3 TRP 30 1HB TRP 30 -12.792 1.755 -14.935 250 HD1 TRP 30 HD1 TRP 30 -14.214 -1.519 -16.335 251 HE1 TRP 30 HE1 TRP 30 -12.251 -3.002 -17.067 252 HE3 TRP 30 HE3 TRP 30 -10.337 1.192 -14.385 253 HZ2 TRP 30 HZ2 TRP 30 -9.453 -3.033 -16.880 254 HZ3 TRP 30 HZ3 TRP 30 -8.045 0.361 -14.704 255 HH2 TRP 30 HH2 TRP 30 -7.612 -1.709 -15.924 256 H ASP 31 H ASP 31 -16.232 1.356 -13.103 257 HA ASP 31 HA ASP 31 -16.173 4.063 -12.496 258 HB2 ASP 31 2HB ASP 31 -18.102 1.980 -11.359 259 HB3 ASP 31 1HB ASP 31 -18.388 3.717 -11.388 260 H LEU 32 H LEU 32 -16.031 1.272 -10.308 261 HA LEU 32 HA LEU 32 -15.804 2.673 -7.866 262 HB2 LEU 32 2HB LEU 32 -15.000 -0.158 -8.629 263 HB3 LEU 32 1HB LEU 32 -14.912 0.453 -6.984 264 HG LEU 32 HG LEU 32 -17.479 0.216 -8.619 265 HD11 LEU 32 1HD1 LEU 32 -16.589 -1.985 -7.979 266 HD12 LEU 32 2HD1 LEU 32 -18.081 -1.624 -7.117 267 HD13 LEU 32 3HD1 LEU 32 -16.526 -1.481 -6.290 268 HD21 LEU 32 1HD2 LEU 32 -17.110 0.991 -5.704 269 HD22 LEU 32 2HD2 LEU 32 -18.652 0.774 -6.537 270 HD23 LEU 32 3HD2 LEU 32 -17.575 2.081 -7.015 271 H LEU 33 H LEU 33 -13.341 1.617 -10.235 272 HA LEU 33 HA LEU 33 -11.094 2.377 -8.631 273 HB2 LEU 33 2HB LEU 33 -11.361 1.926 -11.618 274 HB3 LEU 33 1HB LEU 33 -9.878 2.572 -10.935 275 HG LEU 33 HG LEU 33 -9.872 0.469 -9.407 276 HD11 LEU 33 1HD1 LEU 33 -11.784 -0.563 -11.503 277 HD12 LEU 33 2HD1 LEU 33 -12.143 -0.292 -9.797 278 HD13 LEU 33 3HD1 LEU 33 -10.974 -1.526 -10.264 279 HD21 LEU 33 1HD2 LEU 33 -9.341 0.155 -12.372 280 HD22 LEU 33 2HD2 LEU 33 -8.690 -0.870 -11.090 281 HD23 LEU 33 3HD2 LEU 33 -8.233 0.831 -11.174 282 H LEU 34 H LEU 34 -13.110 4.162 -10.943 283 HA LEU 34 HA LEU 34 -11.509 6.499 -11.166 284 HB2 LEU 34 2HB LEU 34 -14.518 6.190 -11.550 285 HB3 LEU 34 1HB LEU 34 -13.579 7.585 -12.063 286 HG LEU 34 HG LEU 34 -13.314 4.764 -13.177 287 HD11 LEU 34 1HD1 LEU 34 -15.390 5.837 -13.889 288 HD12 LEU 34 2HD1 LEU 34 -14.276 5.668 -15.241 289 HD13 LEU 34 3HD1 LEU 34 -14.491 7.241 -14.468 290 HD21 LEU 34 1HD2 LEU 34 -11.783 5.715 -14.844 291 HD22 LEU 34 2HD2 LEU 34 -11.145 5.897 -13.212 292 HD23 LEU 34 3HD2 LEU 34 -11.862 7.284 -14.037 293 H GLN 35 H GLN 35 -14.144 5.614 -8.959 294 HA GLN 35 HA GLN 35 -14.166 8.149 -7.571 295 HB2 GLN 35 2HB GLN 35 -15.543 5.494 -7.138 296 HB3 GLN 35 1HB GLN 35 -15.529 6.673 -5.833 297 HG2 GLN 35 2HG GLN 35 -17.595 6.865 -7.059 298 HG3 GLN 35 1HG GLN 35 -16.637 8.318 -7.311 299 HE21 GLN 35 1HE2 GLN 35 -15.748 8.695 -9.408 300 HE22 GLN 35 2HE2 GLN 35 -16.351 7.872 -10.803 301 H GLN 36 H GLN 36 -13.078 4.838 -6.657 302 HA GLN 36 HA GLN 36 -12.036 5.635 -4.131 303 HB2 GLN 36 2HB GLN 36 -11.409 3.091 -5.694 304 HB3 GLN 36 1HB GLN 36 -11.030 3.368 -3.998 305 HG2 GLN 36 2HG GLN 36 -13.807 3.185 -5.201 306 HG3 GLN 36 1HG GLN 36 -13.007 1.943 -4.245 307 HE21 GLN 36 1HE2 GLN 36 -15.565 3.306 -3.800 308 HE22 GLN 36 2HE2 GLN 36 -15.448 4.012 -2.228 309 H GLU 37 H GLU 37 -10.683 5.931 -7.288 310 HA GLU 37 HA GLU 37 -7.946 5.782 -6.913 311 HB2 GLU 37 2HB GLU 37 -8.994 6.222 -9.102 312 HB3 GLU 37 1HB GLU 37 -9.486 7.827 -8.574 313 HG2 GLU 37 2HG GLU 37 -7.128 8.512 -8.412 314 HG3 GLU 37 1HG GLU 37 -6.615 6.889 -8.863 315 H VAL 38 H VAL 38 -9.974 8.706 -6.460 316 HA VAL 38 HA VAL 38 -7.948 10.478 -5.692 317 HB VAL 38 HB VAL 38 -10.887 10.596 -4.868 318 HG11 VAL 38 1HG1 VAL 38 -10.565 13.043 -4.667 319 HG12 VAL 38 2HG1 VAL 38 -8.846 12.848 -5.011 320 HG13 VAL 38 3HG1 VAL 38 -9.532 12.158 -3.540 321 HG21 VAL 38 1HG2 VAL 38 -11.248 12.000 -6.862 322 HG22 VAL 38 2HG2 VAL 38 -10.658 10.400 -7.314 323 HG23 VAL 38 3HG2 VAL 38 -9.560 11.781 -7.336 324 H SER 39 H SER 39 -10.002 8.376 -3.696 325 HA SER 39 HA SER 39 -9.145 9.421 -1.162 326 HB2 SER 39 2HB SER 39 -10.481 7.417 -0.292 327 HB3 SER 39 1HB SER 39 -11.362 8.561 -1.307 328 HG SER 39 HG SER 39 -10.739 5.925 -1.772 329 H TYR 40 H TYR 40 -8.457 6.438 -2.974 330 HA TYR 40 HA TYR 40 -6.805 5.139 -1.081 331 HB2 TYR 40 2HB TYR 40 -7.723 3.797 -2.843 332 HB3 TYR 40 1HB TYR 40 -7.125 4.877 -4.095 333 HD1 TYR 40 HD1 TYR 40 -5.638 2.778 -1.305 334 HD2 TYR 40 HD2 TYR 40 -5.369 4.002 -5.389 335 HE1 TYR 40 HE1 TYR 40 -3.697 1.318 -1.628 336 HE2 TYR 40 HE2 TYR 40 -3.420 2.539 -5.703 337 HH TYR 40 HH TYR 40 -1.705 1.447 -4.413 338 H LEU 41 H LEU 41 -6.095 7.358 -3.734 339 HA LEU 41 HA LEU 41 -3.246 7.114 -3.427 340 HB2 LEU 41 2HB LEU 41 -4.879 9.005 -5.137 341 HB3 LEU 41 1HB LEU 41 -3.127 8.832 -5.205 342 HG LEU 41 HG LEU 41 -5.157 6.661 -5.879 343 HD11 LEU 41 1HD1 LEU 41 -4.991 8.438 -7.563 344 HD12 LEU 41 2HD1 LEU 41 -4.422 6.884 -8.154 345 HD13 LEU 41 3HD1 LEU 41 -3.257 8.135 -7.706 346 HD21 LEU 41 1HD2 LEU 41 -2.127 6.514 -5.976 347 HD22 LEU 41 2HD2 LEU 41 -3.235 5.296 -6.611 348 HD23 LEU 41 3HD2 LEU 41 -3.190 5.625 -4.881 349 H GLN 42 H GLN 42 -5.736 9.435 -2.408 350 HA GLN 42 HA GLN 42 -4.032 11.357 -1.251 351 HB2 GLN 42 2HB GLN 42 -6.514 11.603 -1.502 352 HB3 GLN 42 1HB GLN 42 -6.758 10.432 -0.217 353 HG2 GLN 42 2HG GLN 42 -5.226 13.006 0.248 354 HG3 GLN 42 1HG GLN 42 -6.981 12.954 0.349 355 HE21 GLN 42 1HE2 GLN 42 -4.997 13.564 2.412 356 HE22 GLN 42 2HE2 GLN 42 -5.298 12.456 3.704 357 H SER 43 H SER 43 -5.292 8.267 -0.010 358 HA SER 43 HA SER 43 -4.183 8.349 2.567 359 HB2 SER 43 2HB SER 43 -4.849 5.928 0.837 360 HB3 SER 43 1HB SER 43 -4.499 5.868 2.567 361 HG SER 43 HG SER 43 -6.537 7.537 1.548 362 H ILE 44 H ILE 44 -2.855 6.815 -0.423 363 HA ILE 44 HA ILE 44 -0.557 5.749 0.863 364 HB ILE 44 HB ILE 44 -1.597 4.861 -1.258 365 HG12 ILE 44 2HG1 ILE 44 1.394 5.378 -1.565 366 HG13 ILE 44 1HG1 ILE 44 0.707 4.158 -0.497 367 HG21 ILE 44 1HG2 ILE 44 -0.101 7.107 -2.647 368 HG22 ILE 44 2HG2 ILE 44 -1.848 6.995 -2.468 369 HG23 ILE 44 3HG2 ILE 44 -0.991 5.798 -3.436 370 HD11 ILE 44 1HD1 ILE 44 0.357 4.223 -3.497 371 HD12 ILE 44 2HD1 ILE 44 -0.235 2.976 -2.395 372 HD13 ILE 44 3HD1 ILE 44 1.496 3.218 -2.608 373 H GLU 45 H GLU 45 -1.094 8.782 -0.905 374 HA GLU 45 HA GLU 45 1.524 9.815 -0.906 375 HB2 GLU 45 2HB GLU 45 -1.180 11.209 -0.772 376 HB3 GLU 45 1HB GLU 45 0.330 12.095 -0.915 377 HG2 GLU 45 2HG GLU 45 -0.567 10.029 -2.940 378 HG3 GLU 45 1HG GLU 45 -0.981 11.735 -3.054 379 H THR 46 H THR 46 -1.137 10.209 1.456 380 HA THR 46 HA THR 46 0.089 11.714 3.438 381 HB THR 46 HB THR 46 -2.043 9.540 3.711 382 HG1 THR 46 HG1 THR 46 -3.280 11.024 2.901 383 HG21 THR 46 1HG2 THR 46 -1.074 9.999 5.945 384 HG22 THR 46 2HG2 THR 46 -2.723 10.613 5.824 385 HG23 THR 46 3HG2 THR 46 -1.357 11.725 5.713 386 H VAL 47 H VAL 47 0.225 8.222 2.879 387 HA VAL 47 HA VAL 47 1.495 7.450 5.309 388 HB VAL 47 HB VAL 47 1.352 6.010 2.620 389 HG11 VAL 47 1HG1 VAL 47 3.189 5.067 3.974 390 HG12 VAL 47 2HG1 VAL 47 1.853 3.922 3.858 391 HG13 VAL 47 3HG1 VAL 47 2.091 4.849 5.340 392 HG21 VAL 47 1HG2 VAL 47 -0.407 5.824 5.089 393 HG22 VAL 47 2HG2 VAL 47 -0.520 4.748 3.701 394 HG23 VAL 47 3HG2 VAL 47 -0.859 6.461 3.514 395 H MET 48 H MET 48 2.741 8.086 2.012 396 HA MET 48 HA MET 48 5.481 7.551 2.624 397 HB2 MET 48 2HB MET 48 4.205 9.092 0.329 398 HB3 MET 48 1HB MET 48 5.941 8.819 0.451 399 HG2 MET 48 2HG MET 48 5.569 6.383 0.396 400 HG3 MET 48 1HG MET 48 3.830 6.651 0.268 401 HE1 MET 48 1HE MET 48 3.377 8.939 -1.783 402 HE2 MET 48 2HE MET 48 2.586 7.363 -1.894 403 HE3 MET 48 3HE MET 48 3.380 8.055 -3.310 404 H GLU 49 H GLU 49 3.490 10.441 2.863 405 HA GLU 49 HA GLU 49 5.579 12.307 3.493 406 HB2 GLU 49 2HB GLU 49 2.581 12.362 4.062 407 HB3 GLU 49 1HB GLU 49 3.662 13.718 4.383 408 HG2 GLU 49 2HG GLU 49 4.159 13.925 1.992 409 HG3 GLU 49 1HG GLU 49 3.156 12.518 1.642 410 H LYS 50 H LYS 50 3.772 9.935 5.304 411 HA LYS 50 HA LYS 50 4.003 11.261 7.856 412 HB2 LYS 50 2HB LYS 50 2.109 9.592 6.899 413 HB3 LYS 50 1HB LYS 50 3.118 8.378 7.666 414 HG2 LYS 50 2HG LYS 50 1.326 9.078 9.171 415 HG3 LYS 50 1HG LYS 50 2.893 9.552 9.834 416 HD2 LYS 50 2HD LYS 50 1.225 11.349 10.122 417 HD3 LYS 50 1HD LYS 50 2.530 11.874 9.056 418 HE2 LYS 50 2HE LYS 50 1.046 11.324 7.091 419 HE3 LYS 50 1HE LYS 50 -0.256 10.978 8.230 420 HZ1 LYS 50 1HZ LYS 50 1.134 13.587 7.969 421 HZ2 LYS 50 2HZ LYS 50 -0.171 13.249 8.986 422 HZ3 LYS 50 3HZ LYS 50 -0.378 13.219 7.310 423 H GLN 51 H GLN 51 4.848 10.157 9.770 424 HA GLN 51 HA GLN 51 7.595 9.381 9.335 425 HB2 GLN 51 2HB GLN 51 6.979 11.030 11.069 426 HB3 GLN 51 1HB GLN 51 6.001 9.823 11.899 427 HG2 GLN 51 2HG GLN 51 8.027 8.506 12.383 428 HG3 GLN 51 1HG GLN 51 9.010 9.681 11.516 429 HE21 GLN 51 1HE2 GLN 51 7.571 12.016 12.606 430 HE22 GLN 51 2HE2 GLN 51 8.078 12.135 14.252 431 H THR 52 H THR 52 8.208 7.294 9.148 432 HA THR 52 HA THR 52 6.768 5.016 10.066 433 HB THR 52 HB THR 52 9.726 5.342 9.370 434 HG1 THR 52 HG1 THR 52 9.109 4.933 7.360 435 HG21 THR 52 1HG2 THR 52 9.336 3.313 10.787 436 HG22 THR 52 2HG2 THR 52 9.817 2.896 9.144 437 HG23 THR 52 3HG2 THR 52 8.128 2.755 9.629 438 HA PRO 53 HA PRO 53 7.912 5.617 14.459 439 HB2 PRO 53 2HB PRO 53 6.748 3.340 15.458 440 HB3 PRO 53 1HB PRO 53 5.784 4.742 14.946 441 HG2 PRO 53 2HG PRO 53 6.430 2.249 13.388 442 HG3 PRO 53 1HG PRO 53 4.852 3.035 13.635 443 HD2 PRO 53 2HD PRO 53 6.240 3.446 11.381 444 HD3 PRO 53 1HD PRO 53 5.317 4.768 12.135 445 HA PRO 54 HA PRO 54 11.521 2.921 14.972 446 HB2 PRO 54 2HB PRO 54 11.886 3.087 17.693 447 HB3 PRO 54 1HB PRO 54 12.308 4.406 16.583 448 HG2 PRO 54 2HG PRO 54 9.863 4.100 18.292 449 HG3 PRO 54 1HG PRO 54 10.849 5.548 17.988 450 HD2 PRO 54 2HD PRO 54 8.483 5.089 16.707 451 HD3 PRO 54 1HD PRO 54 9.818 5.990 15.955 452 H GLY 55 H GLY 55 8.738 2.475 17.179 453 HA2 GLY 55 2HA GLY 55 9.513 -0.138 18.072 454 HA3 GLY 55 1HA GLY 55 8.024 0.704 18.429 455 H ILE 56 H ILE 56 9.617 -0.931 15.706 456 HA ILE 56 HA ILE 56 7.056 -2.170 14.853 457 HB ILE 56 HB ILE 56 9.646 -1.672 13.289 458 HG12 ILE 56 2HG1 ILE 56 6.895 -0.400 12.904 459 HG13 ILE 56 1HG1 ILE 56 8.268 0.387 13.676 460 HG21 ILE 56 1HG2 ILE 56 8.483 -2.547 11.294 461 HG22 ILE 56 2HG2 ILE 56 7.067 -2.924 12.273 462 HG23 ILE 56 3HG2 ILE 56 8.582 -3.779 12.557 463 HD11 ILE 56 1HD1 ILE 56 8.096 -0.485 10.798 464 HD12 ILE 56 2HD1 ILE 56 9.513 0.242 11.563 465 HD13 ILE 56 3HD1 ILE 56 8.015 1.163 11.421 466 H THR 57 H THR 57 6.939 -4.159 15.802 467 HA THR 57 HA THR 57 9.304 -5.649 16.618 468 HB THR 57 HB THR 57 7.748 -7.207 17.692 469 HG1 THR 57 HG1 THR 57 5.510 -6.993 17.400 470 HG21 THR 57 1HG2 THR 57 6.519 -5.692 19.211 471 HG22 THR 57 2HG2 THR 57 6.791 -4.345 18.104 472 HG23 THR 57 3HG2 THR 57 8.158 -5.102 18.927 473 H ARG 58 H ARG 58 8.696 -8.280 16.253 474 HA ARG 58 HA ARG 58 9.524 -8.789 13.609 475 HB2 ARG 58 2HB ARG 58 10.015 -10.260 15.572 476 HB3 ARG 58 1HB ARG 58 8.324 -10.735 15.629 477 HG2 ARG 58 2HG ARG 58 9.725 -12.469 14.585 478 HG3 ARG 58 1HG ARG 58 8.535 -11.846 13.440 479 HD2 ARG 58 2HD ARG 58 10.187 -10.651 12.212 480 HD3 ARG 58 1HD ARG 58 11.360 -10.751 13.525 481 HE ARG 58 HE ARG 58 11.950 -12.873 12.863 482 HH11 ARG 58 1HH1 ARG 58 9.156 -11.902 10.949 483 HH12 ARG 58 2HH1 ARG 58 9.341 -13.214 9.834 484 HH21 ARG 58 1HH2 ARG 58 12.171 -14.556 11.384 485 HH22 ARG 58 2HH2 ARG 58 11.042 -14.712 10.080 486 H SER 59 H SER 59 6.427 -9.671 15.198 487 HA SER 59 HA SER 59 5.102 -10.579 12.889 488 HB2 SER 59 2HB SER 59 3.872 -9.506 15.459 489 HB3 SER 59 1HB SER 59 3.069 -10.542 14.277 490 HG SER 59 HG SER 59 4.905 -12.052 14.751 491 H ILE 60 H ILE 60 5.295 -7.361 14.363 492 HA ILE 60 HA ILE 60 3.364 -6.050 12.747 493 HB ILE 60 HB ILE 60 5.796 -4.958 14.227 494 HG12 ILE 60 2HG1 ILE 60 2.809 -4.841 14.884 495 HG13 ILE 60 1HG1 ILE 60 3.985 -5.897 15.659 496 HG21 ILE 60 1HG2 ILE 60 4.853 -2.681 13.920 497 HG22 ILE 60 2HG2 ILE 60 3.611 -3.341 12.859 498 HG23 ILE 60 3HG2 ILE 60 5.305 -3.412 12.377 499 HD11 ILE 60 1HD1 ILE 60 5.145 -3.919 16.547 500 HD12 ILE 60 2HD1 ILE 60 3.468 -4.032 17.080 501 HD13 ILE 60 3HD1 ILE 60 3.913 -2.888 15.816 502 H GLN 61 H GLN 61 6.865 -6.572 12.357 503 HA GLN 61 HA GLN 61 7.227 -5.099 9.958 504 HB2 GLN 61 2HB GLN 61 9.101 -5.747 11.427 505 HB3 GLN 61 1HB GLN 61 8.820 -7.449 11.076 506 HG2 GLN 61 2HG GLN 61 9.388 -6.994 8.677 507 HG3 GLN 61 1HG GLN 61 9.767 -5.328 9.123 508 HE21 GLN 61 1HE2 GLN 61 11.935 -5.550 8.481 509 HE22 GLN 61 2HE2 GLN 61 13.074 -6.483 9.380 510 H ASP 62 H ASP 62 6.340 -8.472 10.596 511 HA ASP 62 HA ASP 62 6.421 -9.427 7.929 512 HB2 ASP 62 2HB ASP 62 4.898 -10.383 10.383 513 HB3 ASP 62 1HB ASP 62 4.800 -11.225 8.838 514 H MET 63 H MET 63 3.751 -8.095 9.904 515 HA MET 63 HA MET 63 1.742 -8.374 7.920 516 HB2 MET 63 2HB MET 63 1.865 -6.594 10.381 517 HB3 MET 63 1HB MET 63 0.451 -6.686 9.336 518 HG2 MET 63 2HG MET 63 0.265 -9.105 9.824 519 HG3 MET 63 1HG MET 63 1.655 -8.980 10.902 520 HE1 MET 63 1HE MET 63 0.253 -6.704 13.788 521 HE2 MET 63 2HE MET 63 1.100 -6.092 12.369 522 HE3 MET 63 3HE MET 63 1.662 -7.565 13.164 523 H VAL 64 H VAL 64 3.805 -5.622 8.826 524 HA VAL 64 HA VAL 64 2.668 -3.720 7.074 525 HB VAL 64 HB VAL 64 5.382 -3.809 8.461 526 HG11 VAL 64 1HG1 VAL 64 4.245 -1.520 6.809 527 HG12 VAL 64 2HG1 VAL 64 5.677 -2.472 6.424 528 HG13 VAL 64 3HG1 VAL 64 5.675 -1.420 7.838 529 HG21 VAL 64 1HG2 VAL 64 3.413 -3.534 9.940 530 HG22 VAL 64 2HG2 VAL 64 2.891 -2.133 9.001 531 HG23 VAL 64 3HG2 VAL 64 4.395 -2.067 9.921 532 H ALA 65 H ALA 65 5.832 -5.477 6.750 533 HA ALA 65 HA ALA 65 6.335 -4.673 4.095 534 HB1 ALA 65 1HB ALA 65 8.082 -5.625 5.577 535 HB2 ALA 65 2HB ALA 65 8.045 -6.407 3.996 536 HB3 ALA 65 3HB ALA 65 7.348 -7.219 5.409 537 H GLY 66 H GLY 66 4.493 -7.395 5.378 538 HA2 GLY 66 2HA GLY 66 4.068 -8.841 2.971 539 HA3 GLY 66 1HA GLY 66 3.043 -8.888 4.400 540 H TYR 67 H TYR 67 2.337 -6.148 4.485 541 HA TYR 67 HA TYR 67 0.213 -6.050 2.555 542 HB2 TYR 67 2HB TYR 67 1.105 -4.123 4.728 543 HB3 TYR 67 1HB TYR 67 -0.246 -3.772 3.654 544 HD1 TYR 67 HD1 TYR 67 -0.830 -7.097 3.852 545 HD2 TYR 67 HD2 TYR 67 -0.694 -3.752 6.518 546 HE1 TYR 67 HE1 TYR 67 -2.378 -8.243 5.381 547 HE2 TYR 67 HE2 TYR 67 -2.238 -4.905 8.010 548 HH TYR 67 HH TYR 67 -2.971 -8.198 7.768 549 H ILE 68 H ILE 68 3.353 -4.444 2.924 550 HA ILE 68 HA ILE 68 3.087 -2.504 0.877 551 HB ILE 68 HB ILE 68 5.688 -3.887 1.741 552 HG12 ILE 68 2HG1 ILE 68 4.497 -1.273 2.795 553 HG13 ILE 68 1HG1 ILE 68 4.553 -2.786 3.679 554 HG21 ILE 68 1HG2 ILE 68 6.816 -1.868 0.827 555 HG22 ILE 68 2HG2 ILE 68 5.256 -1.234 0.300 556 HG23 ILE 68 3HG2 ILE 68 5.894 -2.713 -0.421 557 HD11 ILE 68 1HD1 ILE 68 6.995 -2.691 3.696 558 HD12 ILE 68 2HD1 ILE 68 6.273 -1.264 4.434 559 HD13 ILE 68 3HD1 ILE 68 6.942 -1.167 2.806 560 H LYS 69 H LYS 69 4.485 -5.787 0.891 561 HA LYS 69 HA LYS 69 4.998 -6.142 -1.813 562 HB2 LYS 69 2HB LYS 69 5.808 -7.767 -0.191 563 HB3 LYS 69 1HB LYS 69 4.172 -8.169 0.314 564 HG2 LYS 69 2HG LYS 69 5.161 -9.943 -1.091 565 HG3 LYS 69 1HG LYS 69 3.724 -9.240 -1.835 566 HD2 LYS 69 2HD LYS 69 5.330 -7.766 -3.210 567 HD3 LYS 69 1HD LYS 69 6.632 -8.801 -2.619 568 HE2 LYS 69 2HE LYS 69 5.610 -10.753 -3.668 569 HE3 LYS 69 1HE LYS 69 4.202 -9.796 -4.148 570 HZ1 LYS 69 1HZ LYS 69 6.985 -9.451 -5.114 571 HZ2 LYS 69 2HZ LYS 69 5.704 -8.424 -5.503 572 HZ3 LYS 69 3HZ LYS 69 5.672 -10.038 -6.003 573 H GLN 70 H GLN 70 1.972 -6.692 0.013 574 HA GLN 70 HA GLN 70 0.506 -7.913 -2.056 575 HB2 GLN 70 2HB GLN 70 -0.195 -8.002 0.322 576 HB3 GLN 70 1HB GLN 70 -0.574 -6.281 0.283 577 HG2 GLN 70 2HG GLN 70 -2.341 -6.677 -1.375 578 HG3 GLN 70 1HG GLN 70 -1.920 -8.387 -1.445 579 HE21 GLN 70 1HE2 GLN 70 -3.967 -9.056 -0.842 580 HE22 GLN 70 2HE2 GLN 70 -4.604 -8.851 0.751 581 H THR 71 H THR 71 0.828 -4.437 -1.138 582 HA THR 71 HA THR 71 -1.201 -3.653 -3.023 583 HB THR 71 HB THR 71 -1.137 -2.228 -1.150 584 HG1 THR 71 HG1 THR 71 -1.530 -0.763 -2.623 585 HG21 THR 71 1HG2 THR 71 0.775 -0.883 -0.432 586 HG22 THR 71 2HG2 THR 71 1.800 -1.639 -1.656 587 HG23 THR 71 3HG2 THR 71 1.149 -2.598 -0.327 588 H LEU 72 H LEU 72 2.353 -3.626 -2.960 589 HA LEU 72 HA LEU 72 2.690 -2.218 -5.396 590 HB2 LEU 72 2HB LEU 72 4.558 -4.220 -4.062 591 HB3 LEU 72 1HB LEU 72 4.993 -3.205 -5.431 592 HG LEU 72 HG LEU 72 4.372 -2.310 -2.602 593 HD11 LEU 72 1HD1 LEU 72 6.631 -1.357 -2.641 594 HD12 LEU 72 2HD1 LEU 72 6.879 -1.975 -4.277 595 HD13 LEU 72 3HD1 LEU 72 6.655 -3.097 -2.930 596 HD21 LEU 72 1HD2 LEU 72 4.678 0.019 -3.409 597 HD22 LEU 72 2HD2 LEU 72 3.223 -0.760 -4.008 598 HD23 LEU 72 3HD2 LEU 72 4.628 -0.573 -5.070 599 H ASP 73 H ASP 73 2.254 -5.634 -4.661 600 HA ASP 73 HA ASP 73 2.866 -6.664 -7.229 601 HB2 ASP 73 2HB ASP 73 2.760 -7.981 -5.026 602 HB3 ASP 73 1HB ASP 73 1.004 -7.948 -5.172 603 H ASN 74 H ASN 74 -0.294 -6.150 -5.603 604 HA ASN 74 HA ASN 74 -1.966 -6.834 -7.758 605 HB2 ASN 74 2HB ASN 74 -2.557 -4.996 -5.390 606 HB3 ASN 74 1HB ASN 74 -3.782 -5.645 -6.474 607 HD21 ASN 74 1HD2 ASN 74 -3.523 -5.974 -3.587 608 HD22 ASN 74 2HD2 ASN 74 -3.425 -7.674 -3.302 609 H GLU 75 H GLU 75 -0.749 -3.671 -6.722 610 HA GLU 75 HA GLU 75 -2.316 -2.155 -8.586 611 HB2 GLU 75 2HB GLU 75 -1.204 -1.551 -6.195 612 HB3 GLU 75 1HB GLU 75 0.092 -0.950 -7.210 613 HG2 GLU 75 2HG GLU 75 -2.800 -0.065 -7.390 614 HG3 GLU 75 1HG GLU 75 -1.561 0.778 -6.467 615 H GLN 76 H GLN 76 0.985 -3.507 -8.592 616 HA GLN 76 HA GLN 76 1.822 -2.156 -11.006 617 HB2 GLN 76 2HB GLN 76 3.403 -3.109 -9.287 618 HB3 GLN 76 1HB GLN 76 2.961 -4.723 -9.825 619 HG2 GLN 76 2HG GLN 76 3.866 -4.212 -12.068 620 HG3 GLN 76 1HG GLN 76 4.301 -2.591 -11.524 621 HE21 GLN 76 1HE2 GLN 76 4.683 -5.606 -9.644 622 HE22 GLN 76 2HE2 GLN 76 6.408 -5.556 -9.620 623 H LEU 77 H LEU 77 0.151 -5.179 -10.274 624 HA LEU 77 HA LEU 77 0.138 -6.307 -12.887 625 HB2 LEU 77 2HB LEU 77 -1.871 -6.594 -10.616 626 HB3 LEU 77 1HB LEU 77 -1.931 -7.540 -12.094 627 HG LEU 77 HG LEU 77 0.304 -7.629 -10.028 628 HD11 LEU 77 1HD1 LEU 77 -1.761 -8.678 -9.221 629 HD12 LEU 77 2HD1 LEU 77 -0.500 -9.877 -9.494 630 HD13 LEU 77 3HD1 LEU 77 -1.818 -9.704 -10.658 631 HD21 LEU 77 1HD2 LEU 77 1.202 -8.018 -12.269 632 HD22 LEU 77 2HD2 LEU 77 -0.013 -9.264 -12.565 633 HD23 LEU 77 3HD2 LEU 77 1.219 -9.509 -11.326 634 H LEU 78 H LEU 78 -2.052 -4.076 -11.184 635 HA LEU 78 HA LEU 78 -3.862 -3.487 -13.232 636 HB2 LEU 78 2HB LEU 78 -2.764 -1.750 -10.995 637 HB3 LEU 78 1HB LEU 78 -4.011 -1.176 -12.094 638 HG LEU 78 HG LEU 78 -4.283 -3.583 -10.258 639 HD11 LEU 78 1HD1 LEU 78 -5.831 -2.207 -8.971 640 HD12 LEU 78 2HD1 LEU 78 -5.540 -0.832 -10.038 641 HD13 LEU 78 3HD1 LEU 78 -4.235 -1.453 -9.021 642 HD21 LEU 78 1HD2 LEU 78 -6.282 -2.270 -12.135 643 HD22 LEU 78 2HD2 LEU 78 -6.661 -3.535 -10.965 644 HD23 LEU 78 3HD2 LEU 78 -5.574 -3.879 -12.304 645 H LYS 79 H LYS 79 -0.712 -1.983 -12.512 646 HA LYS 79 HA LYS 79 -0.820 -0.050 -14.588 647 HB2 LYS 79 2HB LYS 79 1.476 -1.165 -12.927 648 HB3 LYS 79 1HB LYS 79 1.689 0.142 -14.089 649 HG2 LYS 79 2HG LYS 79 -0.201 0.226 -11.719 650 HG3 LYS 79 1HG LYS 79 1.400 0.975 -11.773 651 HD2 LYS 79 2HD LYS 79 0.735 2.565 -13.408 652 HD3 LYS 79 1HD LYS 79 -0.714 1.656 -13.847 653 HE2 LYS 79 2HE LYS 79 -1.191 3.707 -12.530 654 HE3 LYS 79 1HE LYS 79 -1.783 2.236 -11.766 655 HZ1 LYS 79 1HZ LYS 79 0.172 2.259 -10.346 656 HZ2 LYS 79 2HZ LYS 79 -0.759 3.644 -10.158 657 HZ3 LYS 79 3HZ LYS 79 0.683 3.706 -11.038 658 H GLY 80 H GLY 80 0.309 -3.371 -14.535 659 HA2 GLY 80 2HA GLY 80 1.494 -3.436 -17.147 660 HA3 GLY 80 1HA GLY 80 0.936 -4.818 -16.208 661 H LEU 81 H LEU 81 -1.738 -3.903 -15.842 662 HA LEU 81 HA LEU 81 -3.001 -4.798 -18.254 663 HB2 LEU 81 2HB LEU 81 -3.719 -5.227 -15.846 664 HB3 LEU 81 1HB LEU 81 -4.288 -3.576 -15.762 665 HG LEU 81 HG LEU 81 -5.425 -5.564 -17.781 666 HD11 LEU 81 1HD1 LEU 81 -5.711 -6.580 -15.576 667 HD12 LEU 81 2HD1 LEU 81 -7.263 -6.045 -16.214 668 HD13 LEU 81 3HD1 LEU 81 -6.453 -5.101 -14.958 669 HD21 LEU 81 1HD2 LEU 81 -5.972 -3.213 -18.231 670 HD22 LEU 81 2HD2 LEU 81 -6.623 -3.034 -16.602 671 HD23 LEU 81 3HD2 LEU 81 -7.412 -4.113 -17.756 672 H LEU 82 H LEU 82 -2.377 -1.627 -16.786 673 HA LEU 82 HA LEU 82 -4.382 -0.206 -18.303 674 HB2 LEU 82 2HB LEU 82 -2.167 0.746 -16.441 675 HB3 LEU 82 1HB LEU 82 -3.274 1.849 -17.241 676 HG LEU 82 HG LEU 82 -4.125 -0.313 -15.269 677 HD11 LEU 82 1HD1 LEU 82 -4.514 1.497 -13.657 678 HD12 LEU 82 2HD1 LEU 82 -3.857 2.673 -14.797 679 HD13 LEU 82 3HD1 LEU 82 -2.817 1.414 -14.131 680 HD21 LEU 82 1HD2 LEU 82 -6.309 0.826 -15.275 681 HD22 LEU 82 2HD2 LEU 82 -5.893 0.192 -16.864 682 HD23 LEU 82 3HD2 LEU 82 -5.739 1.921 -16.538 683 H GLN 83 H GLN 83 -0.813 0.280 -18.124 684 HA GLN 83 HA GLN 83 -0.503 0.576 -20.981 685 HB2 GLN 83 2HB GLN 83 -0.453 3.082 -19.231 686 HB3 GLN 83 1HB GLN 83 0.397 3.016 -20.764 687 HG2 GLN 83 2HG GLN 83 -2.604 2.785 -20.374 688 HG3 GLN 83 1HG GLN 83 -1.741 4.193 -20.988 689 HE21 GLN 83 1HE2 GLN 83 -3.861 2.582 -22.242 690 HE22 GLN 83 2HE2 GLN 83 -3.221 2.023 -23.745 691 H GLN 84 H GLN 84 0.952 1.516 -17.811 692 HA GLN 84 HA GLN 84 3.477 0.216 -18.436 693 HB2 GLN 84 2HB GLN 84 3.681 2.354 -19.680 694 HB3 GLN 84 1HB GLN 84 3.302 3.255 -18.229 695 HG2 GLN 84 2HG GLN 84 5.672 3.413 -18.651 696 HG3 GLN 84 1HG GLN 84 5.426 2.440 -17.202 697 HE21 GLN 84 1HE2 GLN 84 6.409 2.386 -20.557 698 HE22 GLN 84 2HE2 GLN 84 7.144 0.820 -20.529 699 H ARG 85 H ARG 85 4.932 0.175 -16.612 700 HA ARG 85 HA ARG 85 3.495 -0.447 -14.231 701 HB2 ARG 85 2HB ARG 85 6.486 -0.489 -14.783 702 HB3 ARG 85 1HB ARG 85 5.695 -1.265 -13.410 703 HG2 ARG 85 2HG ARG 85 4.584 -2.854 -14.820 704 HG3 ARG 85 1HG ARG 85 5.007 -1.955 -16.281 705 HD2 ARG 85 2HD ARG 85 6.403 -3.932 -16.103 706 HD3 ARG 85 1HD ARG 85 7.393 -2.488 -15.909 707 HE ARG 85 HE ARG 85 6.876 -3.147 -13.352 708 HH11 ARG 85 1HH1 ARG 85 8.077 -5.108 -16.031 709 HH12 ARG 85 2HH1 ARG 85 8.984 -6.160 -14.991 710 HH21 ARG 85 1HH2 ARG 85 8.095 -4.508 -12.034 711 HH22 ARG 85 2HH2 ARG 85 8.997 -5.821 -12.728 712 H LEU 86 H LEU 86 6.090 1.942 -14.873 713 HA LEU 86 HA LEU 86 5.713 3.202 -12.253 714 HB2 LEU 86 2HB LEU 86 7.680 3.718 -14.510 715 HB3 LEU 86 1HB LEU 86 7.594 4.737 -13.081 716 HG LEU 86 HG LEU 86 8.282 1.766 -13.066 717 HD11 LEU 86 1HD1 LEU 86 10.548 2.482 -12.453 718 HD12 LEU 86 2HD1 LEU 86 10.075 4.174 -12.630 719 HD13 LEU 86 3HD1 LEU 86 10.088 3.106 -14.037 720 HD21 LEU 86 1HD2 LEU 86 8.235 3.768 -10.779 721 HD22 LEU 86 2HD2 LEU 86 8.835 2.109 -10.684 722 HD23 LEU 86 3HD2 LEU 86 7.131 2.407 -11.006 723 H ASP 87 H ASP 87 4.180 3.485 -15.203 724 HA ASP 87 HA ASP 87 3.638 6.342 -15.094 725 HB2 ASP 87 2HB ASP 87 3.586 5.246 -17.277 726 HB3 ASP 87 1HB ASP 87 2.380 4.095 -16.725 727 H GLU 88 H GLU 88 2.845 6.720 -13.090 728 HA GLU 88 HA GLU 88 1.003 4.972 -11.759 729 HB2 GLU 88 2HB GLU 88 1.999 7.715 -10.887 730 HB3 GLU 88 1HB GLU 88 1.238 6.504 -9.868 731 HG2 GLU 88 2HG GLU 88 3.904 6.104 -11.252 732 HG3 GLU 88 1HG GLU 88 3.730 6.717 -9.613 733 H LEU 89 H LEU 89 -0.928 5.944 -10.589 734 HA LEU 89 HA LEU 89 -2.849 6.907 -12.492 735 HB2 LEU 89 2HB LEU 89 -3.038 6.450 -9.496 736 HB3 LEU 89 1HB LEU 89 -4.413 6.840 -10.512 737 HG LEU 89 HG LEU 89 -2.751 4.300 -10.730 738 HD11 LEU 89 1HD1 LEU 89 -4.034 4.349 -8.632 739 HD12 LEU 89 2HD1 LEU 89 -4.659 3.128 -9.738 740 HD13 LEU 89 3HD1 LEU 89 -5.523 4.656 -9.534 741 HD21 LEU 89 1HD2 LEU 89 -3.733 4.908 -12.889 742 HD22 LEU 89 2HD2 LEU 89 -5.328 5.061 -12.147 743 HD23 LEU 89 3HD2 LEU 89 -4.535 3.485 -12.223 744 H SER 90 H SER 90 -4.520 8.631 -11.273 745 HA SER 90 HA SER 90 -3.282 11.157 -11.752 746 HB2 SER 90 2HB SER 90 -6.029 10.659 -10.527 747 HB3 SER 90 1HB SER 90 -5.499 12.082 -11.431 748 HG SER 90 HG SER 90 -6.410 9.648 -12.320 749 H SER 91 H SER 91 -2.697 12.792 -10.339 750 HA SER 91 HA SER 91 -2.301 14.019 -8.491 751 HB2 SER 91 2HB SER 91 -4.774 13.658 -8.063 752 HB3 SER 91 1HB SER 91 -4.351 12.286 -7.041 753 HG SER 91 HG SER 91 -3.284 13.697 -5.651 754 H LEU 92 H LEU 92 -0.773 11.571 -9.095 755 HA LEU 92 HA LEU 92 0.476 11.089 -6.437 756 HB2 LEU 92 2HB LEU 92 0.607 9.497 -9.024 757 HB3 LEU 92 1HB LEU 92 1.713 9.207 -7.689 758 HG LEU 92 HG LEU 92 -1.318 8.873 -7.585 759 HD11 LEU 92 1HD1 LEU 92 -0.847 6.470 -7.319 760 HD12 LEU 92 2HD1 LEU 92 0.877 6.776 -7.550 761 HD13 LEU 92 3HD1 LEU 92 -0.262 7.086 -8.864 762 HD21 LEU 92 1HD2 LEU 92 -0.951 7.938 -5.317 763 HD22 LEU 92 2HD2 LEU 92 -0.494 9.636 -5.423 764 HD23 LEU 92 3HD2 LEU 92 0.757 8.389 -5.417 765 H ILE 93 H ILE 93 2.912 10.852 -6.555 766 HA ILE 93 HA ILE 93 3.955 13.411 -7.081 767 HB ILE 93 HB ILE 93 5.493 10.851 -6.426 768 HG12 ILE 93 2HG1 ILE 93 4.366 12.983 -4.548 769 HG13 ILE 93 1HG1 ILE 93 3.706 11.369 -4.765 770 HG21 ILE 93 1HG2 ILE 93 7.264 12.365 -5.528 771 HG22 ILE 93 2HG2 ILE 93 6.348 13.763 -6.093 772 HG23 ILE 93 3HG2 ILE 93 7.008 12.618 -7.258 773 HD11 ILE 93 1HD1 ILE 93 6.410 12.031 -3.616 774 HD12 ILE 93 2HD1 ILE 93 5.745 10.408 -3.832 775 HD13 ILE 93 3HD1 ILE 93 4.972 11.539 -2.723 776 H GLY 94 H GLY 94 3.814 13.952 -9.244 777 HA2 GLY 94 2HA GLY 94 4.511 14.254 -11.400 778 HA3 GLY 94 1HA GLY 94 6.021 13.499 -10.918 779 H GLN 95 H GLN 95 2.844 11.958 -10.830 780 HA GLN 95 HA GLN 95 2.239 9.841 -11.350 781 HB2 GLN 95 2HB GLN 95 1.711 9.519 -13.718 782 HB3 GLN 95 1HB GLN 95 1.321 11.154 -13.206 783 HG2 GLN 95 2HG GLN 95 3.361 11.994 -14.313 784 HG3 GLN 95 1HG GLN 95 3.763 10.349 -14.815 785 HE21 GLN 95 1HE2 GLN 95 2.490 9.355 -16.411 786 HE22 GLN 95 2HE2 GLN 95 1.483 10.269 -17.472 787 H SER 96 H SER 96 4.846 9.866 -10.531 788 HA SER 96 HA SER 96 5.799 7.275 -11.435 789 HB2 SER 96 2HB SER 96 7.567 9.763 -11.664 790 HB3 SER 96 1HB SER 96 8.169 8.107 -11.765 791 HG SER 96 HG SER 96 6.277 8.144 -13.502 792 H THR 97 H THR 97 8.127 7.101 -9.981 793 HA THR 97 HA THR 97 9.292 7.267 -8.071 794 HB THR 97 HB THR 97 7.363 9.508 -7.395 795 HG1 THR 97 HG1 THR 97 8.961 10.778 -8.106 796 HG21 THR 97 1HG2 THR 97 9.749 8.617 -5.722 797 HG22 THR 97 2HG2 THR 97 8.051 8.567 -5.234 798 HG23 THR 97 3HG2 THR 97 8.845 10.119 -5.498 799 H ARG 98 H ARG 98 5.779 7.022 -7.650 800 HA ARG 98 HA ARG 98 5.504 6.409 -4.986 801 HB2 ARG 98 2HB ARG 98 3.685 7.000 -6.567 802 HB3 ARG 98 1HB ARG 98 3.833 5.444 -7.356 803 HG2 ARG 98 2HG ARG 98 2.962 5.775 -4.465 804 HG3 ARG 98 1HG ARG 98 1.842 5.763 -5.820 805 HD2 ARG 98 2HD ARG 98 3.521 3.481 -4.754 806 HD3 ARG 98 1HD ARG 98 1.769 3.562 -4.951 807 HE ARG 98 HE ARG 98 3.226 3.757 -7.434 808 HH11 ARG 98 1HH1 ARG 98 1.791 1.462 -5.170 809 HH12 ARG 98 2HH1 ARG 98 1.665 0.206 -6.360 810 HH21 ARG 98 1HH2 ARG 98 3.111 2.134 -8.933 811 HH22 ARG 98 2HH2 ARG 98 2.420 0.590 -8.514 812 H GLN 99 H GLN 99 5.917 4.078 -7.719 813 HA GLN 99 HA GLN 99 5.626 1.732 -6.179 814 HB2 GLN 99 2HB GLN 99 5.455 1.855 -8.692 815 HB3 GLN 99 1HB GLN 99 7.203 2.050 -8.764 816 HG2 GLN 99 2HG GLN 99 7.383 -0.202 -7.569 817 HG3 GLN 99 1HG GLN 99 5.652 -0.396 -7.848 818 HE21 GLN 99 1HE2 GLN 99 4.914 -0.565 -10.055 819 HE22 GLN 99 2HE2 GLN 99 5.988 -1.083 -11.303 820 H LYS 100 H LYS 100 8.499 3.549 -7.226 821 HA LYS 100 HA LYS 100 10.467 1.865 -6.045 822 HB2 LYS 100 2HB LYS 100 11.016 3.374 -7.910 823 HB3 LYS 100 1HB LYS 100 10.635 4.781 -6.923 824 HG2 LYS 100 2HG LYS 100 12.529 4.165 -5.394 825 HG3 LYS 100 1HG LYS 100 12.939 2.841 -6.487 826 HD2 LYS 100 2HD LYS 100 13.458 4.426 -8.280 827 HD3 LYS 100 1HD LYS 100 12.897 5.777 -7.291 828 HE2 LYS 100 2HE LYS 100 15.347 5.676 -7.305 829 HE3 LYS 100 1HE LYS 100 14.731 5.362 -5.683 830 HZ1 LYS 100 1HZ LYS 100 15.107 3.024 -5.994 831 HZ2 LYS 100 2HZ LYS 100 16.536 3.852 -6.358 832 HZ3 LYS 100 3HZ LYS 100 15.563 3.254 -7.604 833 H SER 101 H SER 101 8.524 4.502 -4.779 834 HA SER 101 HA SER 101 10.185 5.165 -2.529 835 HB2 SER 101 2HB SER 101 8.577 6.787 -3.510 836 HB3 SER 101 1HB SER 101 7.231 5.757 -3.025 837 HG SER 101 HG SER 101 7.325 7.035 -1.336 838 H LEU 102 H LEU 102 7.278 3.158 -3.019 839 HA LEU 102 HA LEU 102 7.254 2.173 -0.292 840 HB2 LEU 102 2HB LEU 102 5.697 1.406 -2.768 841 HB3 LEU 102 1HB LEU 102 5.594 0.460 -1.296 842 HG LEU 102 HG LEU 102 4.736 2.511 -0.097 843 HD11 LEU 102 1HD1 LEU 102 5.596 4.263 -1.567 844 HD12 LEU 102 2HD1 LEU 102 3.851 4.390 -1.367 845 HD13 LEU 102 3HD1 LEU 102 4.520 3.725 -2.860 846 HD21 LEU 102 1HD2 LEU 102 3.080 1.546 -2.449 847 HD22 LEU 102 2HD2 LEU 102 2.458 2.320 -0.987 848 HD23 LEU 102 3HD2 LEU 102 3.235 0.742 -0.884 849 H ASN 103 H ASN 103 8.761 1.222 -3.294 850 HA ASN 103 HA ASN 103 9.493 -1.447 -2.520 851 HB2 ASN 103 2HB ASN 103 9.435 -0.391 -4.910 852 HB3 ASN 103 1HB ASN 103 11.013 0.275 -4.532 853 HD21 ASN 103 1HD2 ASN 103 12.114 -2.044 -3.177 854 HD22 ASN 103 2HD2 ASN 103 12.283 -3.278 -4.367 855 H ASN 104 H ASN 104 10.867 1.766 -2.194 856 HA ASN 104 HA ASN 104 13.342 1.044 -0.940 857 HB2 ASN 104 2HB ASN 104 13.077 3.246 -2.045 858 HB3 ASN 104 1HB ASN 104 11.801 3.690 -0.914 859 HD21 ASN 104 1HD2 ASN 104 12.368 4.321 1.171 860 HD22 ASN 104 2HD2 ASN 104 13.992 4.650 1.654 861 H ALA 105 H ALA 105 10.082 1.909 0.147 862 HA ALA 105 HA ALA 105 10.510 1.938 2.921 863 HB1 ALA 105 1HB ALA 105 7.992 1.122 1.430 864 HB2 ALA 105 2HB ALA 105 8.452 2.771 1.854 865 HB3 ALA 105 3HB ALA 105 8.090 1.607 3.129 866 H TYR 106 H TYR 106 9.532 -0.729 0.751 867 HA TYR 106 HA TYR 106 9.334 -2.771 2.673 868 HB2 TYR 106 2HB TYR 106 8.468 -2.878 0.285 869 HB3 TYR 106 1HB TYR 106 10.118 -3.118 -0.267 870 HD1 TYR 106 HD1 TYR 106 11.367 -5.227 0.941 871 HD2 TYR 106 HD2 TYR 106 7.136 -4.806 0.624 872 HE1 TYR 106 HE1 TYR 106 11.118 -7.639 1.238 873 HE2 TYR 106 HE2 TYR 106 6.897 -7.224 0.940 874 HH TYR 106 HH TYR 106 8.177 -9.265 0.709 875 H GLY 107 H GLY 107 12.021 -1.822 0.509 876 HA2 GLY 107 2HA GLY 107 13.821 -3.881 1.180 877 HA3 GLY 107 1HA GLY 107 14.243 -2.365 0.402 878 H ARG 108 H ARG 108 13.563 -0.545 2.376 879 HA ARG 108 HA ARG 108 15.849 -0.659 4.073 880 HB2 ARG 108 2HB ARG 108 14.826 1.476 3.173 881 HB3 ARG 108 1HB ARG 108 13.500 1.261 4.306 882 HG2 ARG 108 2HG ARG 108 14.890 2.807 5.392 883 HG3 ARG 108 1HG ARG 108 15.321 1.285 6.162 884 HD2 ARG 108 2HD ARG 108 16.910 2.507 3.879 885 HD3 ARG 108 1HD ARG 108 17.246 2.833 5.579 886 HE ARG 108 HE ARG 108 17.266 0.053 5.222 887 HH11 ARG 108 1HH1 ARG 108 19.208 2.826 4.217 888 HH12 ARG 108 2HH1 ARG 108 20.668 1.901 4.093 889 HH21 ARG 108 1HH2 ARG 108 19.221 -1.132 5.042 890 HH22 ARG 108 2HH2 ARG 108 20.679 -0.325 4.556 891 H LEU 109 H LEU 109 12.380 -1.333 4.521 892 HA LEU 109 HA LEU 109 12.401 -1.684 7.344 893 HB2 LEU 109 2HB LEU 109 10.312 -1.408 6.046 894 HB3 LEU 109 1HB LEU 109 10.570 -2.965 5.279 895 HG LEU 109 HG LEU 109 10.304 -4.085 7.515 896 HD11 LEU 109 1HD1 LEU 109 9.609 -1.311 8.548 897 HD12 LEU 109 2HD1 LEU 109 11.011 -2.284 9.003 898 HD13 LEU 109 3HD1 LEU 109 9.394 -2.829 9.433 899 HD21 LEU 109 1HD2 LEU 109 7.959 -2.324 6.746 900 HD22 LEU 109 2HD2 LEU 109 7.883 -3.821 7.681 901 HD23 LEU 109 3HD2 LEU 109 8.385 -3.862 5.994 902 H SER 110 H SER 110 12.852 -3.876 4.646 903 HA SER 110 HA SER 110 12.885 -6.336 5.975 904 HB2 SER 110 2HB SER 110 12.621 -6.197 3.539 905 HB3 SER 110 1HB SER 110 14.234 -5.502 3.361 906 HG SER 110 HG SER 110 14.042 -7.942 4.690 907 H GLY 111 H GLY 111 15.576 -4.161 4.990 908 HA2 GLY 111 2HA GLY 111 17.577 -5.857 6.271 909 HA3 GLY 111 1HA GLY 111 17.862 -4.351 5.419 910 H MET 112 H MET 112 16.658 -2.352 6.723 911 HA MET 112 HA MET 112 17.967 -2.423 9.358 912 HB2 MET 112 2HB MET 112 18.619 -0.539 8.014 913 HB3 MET 112 1HB MET 112 16.946 -0.108 7.662 914 HG2 MET 112 2HG MET 112 18.102 1.370 9.360 915 HG3 MET 112 1HG MET 112 16.582 0.659 9.918 916 HE1 MET 112 1HE MET 112 16.648 0.399 12.435 917 HE2 MET 112 2HE MET 112 17.883 1.657 12.343 918 HE3 MET 112 3HE MET 112 18.139 0.236 13.358 919 H LEU 113 H LEU 113 14.870 -0.838 8.289 920 HA LEU 113 HA LEU 113 13.018 -1.956 10.001 921 HB2 LEU 113 2HB LEU 113 14.743 -1.137 11.777 922 HB3 LEU 113 1HB LEU 113 14.189 0.482 11.413 923 HG LEU 113 HG LEU 113 11.906 -0.116 12.190 924 HD11 LEU 113 1HD1 LEU 113 11.863 -2.490 11.648 925 HD12 LEU 113 2HD1 LEU 113 11.481 -2.251 13.350 926 HD13 LEU 113 3HD1 LEU 113 13.082 -2.829 12.881 927 HD21 LEU 113 1HD2 LEU 113 13.462 0.884 13.777 928 HD22 LEU 113 2HD2 LEU 113 14.087 -0.707 14.217 929 HD23 LEU 113 3HD2 LEU 113 12.420 -0.277 14.596 930 H LEU 114 H LEU 114 13.578 -0.066 7.561 931 HA LEU 114 HA LEU 114 12.491 1.389 6.228 932 HB2 LEU 114 2HB LEU 114 10.409 0.182 7.512 933 HB3 LEU 114 1HB LEU 114 10.140 1.817 8.050 934 HG LEU 114 HG LEU 114 10.252 0.981 5.128 935 HD11 LEU 114 1HD1 LEU 114 7.827 1.099 5.080 936 HD12 LEU 114 2HD1 LEU 114 7.783 1.485 6.800 937 HD13 LEU 114 3HD1 LEU 114 8.362 -0.095 6.264 938 HD21 LEU 114 1HD2 LEU 114 9.181 3.144 4.632 939 HD22 LEU 114 2HD2 LEU 114 10.762 3.356 5.379 940 HD23 LEU 114 3HD2 LEU 114 9.301 3.596 6.338 941 H VAL 115 H VAL 115 13.970 2.063 8.916 942 HA VAL 115 HA VAL 115 13.503 4.978 8.829 943 HB VAL 115 HB VAL 115 14.752 5.119 10.964 944 HG11 VAL 115 1HG1 VAL 115 12.438 3.139 11.090 945 HG12 VAL 115 2HG1 VAL 115 12.304 4.900 11.061 946 HG13 VAL 115 3HG1 VAL 115 13.044 4.099 12.445 947 HG21 VAL 115 1HG2 VAL 115 16.241 3.168 10.749 948 HG22 VAL 115 2HG2 VAL 115 14.866 2.076 10.908 949 HG23 VAL 115 3HG2 VAL 115 15.346 3.095 12.268 950 HA PRO 116 HA PRO 116 17.277 5.009 6.355 951 HB2 PRO 116 2HB PRO 116 17.573 7.686 6.014 952 HB3 PRO 116 1HB PRO 116 16.213 6.811 5.278 953 HG2 PRO 116 2HG PRO 116 16.242 8.451 7.796 954 HG3 PRO 116 1HG PRO 116 15.055 8.449 6.473 955 HD2 PRO 116 2HD PRO 116 14.671 7.068 8.815 956 HD3 PRO 116 1HD PRO 116 13.969 6.554 7.264 957 H ASP 117 H ASP 117 19.447 6.305 6.390 958 HA ASP 117 HA ASP 117 21.328 7.130 7.295 959 HB2 ASP 117 2HB ASP 117 19.960 8.711 8.611 960 HB3 ASP 117 1HB ASP 117 19.751 7.511 9.875 961 H ALA 118 H ALA 118 19.672 4.556 9.019 962 HA ALA 118 HA ALA 118 22.215 3.459 10.044 963 HB1 ALA 118 1HB ALA 118 20.441 3.761 11.715 964 HB2 ALA 118 2HB ALA 118 20.812 2.054 11.495 965 HB3 ALA 118 3HB ALA 118 19.350 2.738 10.776 966 HA PRO 119 HA PRO 119 21.623 0.121 6.968 967 HB2 PRO 119 2HB PRO 119 23.994 -1.113 7.255 968 HB3 PRO 119 1HB PRO 119 23.925 0.527 6.576 969 HG2 PRO 119 2HG PRO 119 24.695 -0.332 9.342 970 HG3 PRO 119 1HG PRO 119 25.413 0.923 8.311 971 HD2 PRO 119 2HD PRO 119 23.539 1.395 10.352 972 HD3 PRO 119 1HD PRO 119 23.935 2.523 9.037 973 H GLY 120 H GLY 120 21.252 -2.167 7.036 974 HA2 GLY 120 2HA GLY 120 20.881 -3.360 9.739 975 HA3 GLY 120 1HA GLY 120 19.838 -3.668 8.361 976 H ALA 121 H ALA 121 20.677 -5.834 9.547 977 HA ALA 121 HA ALA 121 23.219 -6.867 8.733 978 HB1 ALA 121 1HB ALA 121 22.398 -9.011 9.623 979 HB2 ALA 121 2HB ALA 121 20.766 -8.350 9.742 980 HB3 ALA 121 3HB ALA 121 22.060 -7.690 10.743 981 H SER 122 H SER 122 23.776 -8.004 6.944 982 HA SER 122 HA SER 122 21.889 -9.149 5.078 983 HB2 SER 122 2HB SER 122 22.680 -7.666 3.157 984 HB3 SER 122 1HB SER 122 21.691 -6.827 4.355 985 HG SER 122 HG SER 122 24.207 -6.645 5.146 Start of MODEL 8 1 H1 MET 1 1H MET 1 3.781 3.861 20.657 2 H2 MET 1 2H MET 1 3.967 2.579 21.734 3 H3 MET 1 3H MET 1 2.588 3.547 21.805 4 HA MET 1 HA MET 1 3.352 1.816 19.539 5 HB2 MET 1 2HB MET 1 2.676 0.526 21.564 6 HB3 MET 1 1HB MET 1 1.166 1.419 21.641 7 HG2 MET 1 2HG MET 1 0.768 -0.793 20.728 8 HG3 MET 1 1HG MET 1 0.500 0.406 19.460 9 HE1 MET 1 1HE MET 1 1.994 -2.671 17.469 10 HE2 MET 1 2HE MET 1 0.641 -1.540 17.573 11 HE3 MET 1 3HE MET 1 0.894 -2.740 18.845 12 H THR 2 H THR 2 1.618 4.603 20.543 13 HA THR 2 HA THR 2 -0.786 4.485 19.127 14 HB THR 2 HB THR 2 -0.654 7.050 19.126 15 HG1 THR 2 HG1 THR 2 1.182 7.974 19.698 16 HG21 THR 2 1HG2 THR 2 -1.697 5.828 21.017 17 HG22 THR 2 2HG2 THR 2 -0.832 7.261 21.580 18 HG23 THR 2 3HG2 THR 2 -0.114 5.661 21.781 19 H SER 3 H SER 3 2.308 5.910 18.060 20 HA SER 3 HA SER 3 1.535 6.599 15.440 21 HB2 SER 3 2HB SER 3 4.304 5.970 16.540 22 HB3 SER 3 1HB SER 3 3.966 6.860 15.047 23 HG SER 3 HG SER 3 3.889 8.552 16.284 24 H THR 4 H THR 4 2.691 3.601 16.852 25 HA THR 4 HA THR 4 3.293 2.246 14.408 26 HB THR 4 HB THR 4 2.685 0.876 17.072 27 HG1 THR 4 HG1 THR 4 4.886 1.199 17.565 28 HG21 THR 4 1HG2 THR 4 4.350 -0.771 16.283 29 HG22 THR 4 2HG2 THR 4 4.573 0.144 14.792 30 HG23 THR 4 3HG2 THR 4 3.022 -0.632 15.128 31 H VAL 5 H VAL 5 0.400 2.558 16.428 32 HA VAL 5 HA VAL 5 -1.151 0.533 15.127 33 HB VAL 5 HB VAL 5 -2.093 2.965 16.733 34 HG11 VAL 5 1HG1 VAL 5 -3.903 2.127 15.273 35 HG12 VAL 5 2HG1 VAL 5 -4.253 1.802 16.969 36 HG13 VAL 5 3HG1 VAL 5 -3.689 0.497 15.922 37 HG21 VAL 5 1HG2 VAL 5 -0.701 1.431 18.063 38 HG22 VAL 5 2HG2 VAL 5 -1.731 0.072 17.614 39 HG23 VAL 5 3HG2 VAL 5 -2.377 1.384 18.606 40 H GLU 6 H GLU 6 -0.938 4.104 14.802 41 HA GLU 6 HA GLU 6 -2.610 4.492 12.600 42 HB2 GLU 6 2HB GLU 6 -0.063 5.916 13.464 43 HB3 GLU 6 1HB GLU 6 -0.987 6.450 12.062 44 HG2 GLU 6 2HG GLU 6 -2.078 6.249 14.880 45 HG3 GLU 6 1HG GLU 6 -1.499 7.732 14.124 46 H PHE 7 H PHE 7 0.814 3.665 12.679 47 HA PHE 7 HA PHE 7 1.463 3.703 9.987 48 HB2 PHE 7 2HB PHE 7 3.110 3.619 11.777 49 HB3 PHE 7 1HB PHE 7 2.540 2.042 12.298 50 HD1 PHE 7 HD1 PHE 7 3.968 3.729 9.261 51 HD2 PHE 7 HD2 PHE 7 3.779 0.185 11.647 52 HE1 PHE 7 HE1 PHE 7 5.698 2.682 7.858 53 HE2 PHE 7 HE2 PHE 7 5.496 -0.849 10.241 54 HZ PHE 7 HZ PHE 7 6.453 0.395 8.355 55 H ILE 8 H ILE 8 0.702 0.740 11.905 56 HA ILE 8 HA ILE 8 0.644 -1.109 9.799 57 HB ILE 8 HB ILE 8 -0.946 -1.266 12.415 58 HG12 ILE 8 2HG1 ILE 8 1.841 -2.377 11.817 59 HG13 ILE 8 1HG1 ILE 8 1.510 -0.963 12.808 60 HG21 ILE 8 1HG2 ILE 8 -1.768 -2.887 10.752 61 HG22 ILE 8 2HG2 ILE 8 -0.947 -3.720 12.070 62 HG23 ILE 8 3HG2 ILE 8 -0.131 -3.505 10.519 63 HD11 ILE 8 1HD1 ILE 8 0.705 -3.806 13.415 64 HD12 ILE 8 2HD1 ILE 8 0.283 -2.399 14.397 65 HD13 ILE 8 3HD1 ILE 8 1.972 -2.864 14.202 66 H ASN 9 H ASN 9 -1.976 0.760 11.310 67 HA ASN 9 HA ASN 9 -4.131 -0.575 10.056 68 HB2 ASN 9 2HB ASN 9 -4.257 0.723 12.218 69 HB3 ASN 9 1HB ASN 9 -4.144 2.211 11.284 70 HD21 ASN 9 1HD2 ASN 9 -5.992 -0.654 10.302 71 HD22 ASN 9 2HD2 ASN 9 -7.542 0.086 10.469 72 H ARG 10 H ARG 10 -2.358 2.384 9.245 73 HA ARG 10 HA ARG 10 -4.006 3.145 7.037 74 HB2 ARG 10 2HB ARG 10 -1.148 3.903 7.768 75 HB3 ARG 10 1HB ARG 10 -1.999 4.578 6.384 76 HG2 ARG 10 2HG ARG 10 -3.677 5.590 7.862 77 HG3 ARG 10 1HG ARG 10 -2.905 4.853 9.268 78 HD2 ARG 10 2HD ARG 10 -0.823 6.170 8.736 79 HD3 ARG 10 1HD ARG 10 -1.717 6.984 7.450 80 HE ARG 10 HE ARG 10 -2.691 7.117 10.242 81 HH11 ARG 10 1HH1 ARG 10 -1.452 8.810 7.410 82 HH12 ARG 10 2HH1 ARG 10 -1.799 10.388 8.053 83 HH21 ARG 10 1HH2 ARG 10 -3.104 9.192 11.085 84 HH22 ARG 10 2HH2 ARG 10 -2.736 10.601 10.138 85 H TRP 11 H TRP 11 -1.014 1.168 7.326 86 HA TRP 11 HA TRP 11 -0.810 0.631 4.517 87 HB2 TRP 11 2HB TRP 11 0.375 -0.756 6.944 88 HB3 TRP 11 1HB TRP 11 0.601 -1.411 5.323 89 HD1 TRP 11 HD1 TRP 11 2.213 0.934 7.672 90 HE1 TRP 11 HE1 TRP 11 3.995 2.341 6.479 91 HE3 TRP 11 HE3 TRP 11 0.963 -0.071 2.805 92 HZ2 TRP 11 HZ2 TRP 11 4.788 2.953 3.857 93 HZ3 TRP 11 HZ3 TRP 11 2.290 0.974 1.011 94 HH2 TRP 11 HH2 TRP 11 4.165 2.456 1.530 95 H GLN 12 H GLN 12 -2.720 -0.864 7.072 96 HA GLN 12 HA GLN 12 -3.599 -3.165 5.660 97 HB2 GLN 12 2HB GLN 12 -5.032 -1.528 7.808 98 HB3 GLN 12 1HB GLN 12 -5.621 -3.067 7.189 99 HG2 GLN 12 2HG GLN 12 -3.591 -4.183 8.054 100 HG3 GLN 12 1HG GLN 12 -3.023 -2.642 8.690 101 HE21 GLN 12 1HE2 GLN 12 -5.407 -5.192 9.080 102 HE22 GLN 12 2HE2 GLN 12 -5.905 -4.745 10.672 103 H ARG 13 H ARG 13 -4.914 0.119 5.978 104 HA ARG 13 HA ARG 13 -7.159 -0.012 4.355 105 HB2 ARG 13 2HB ARG 13 -6.586 1.934 5.788 106 HB3 ARG 13 1HB ARG 13 -5.221 2.313 4.746 107 HG2 ARG 13 2HG ARG 13 -6.986 3.851 4.215 108 HG3 ARG 13 1HG ARG 13 -6.839 2.726 2.865 109 HD2 ARG 13 2HD ARG 13 -8.792 1.464 3.694 110 HD3 ARG 13 1HD ARG 13 -8.938 2.564 5.068 111 HE ARG 13 HE ARG 13 -9.873 2.984 2.390 112 HH11 ARG 13 1HH1 ARG 13 -8.699 4.755 5.207 113 HH12 ARG 13 2HH1 ARG 13 -9.510 6.217 4.753 114 HH21 ARG 13 1HH2 ARG 13 -10.910 4.902 1.845 115 HH22 ARG 13 2HH2 ARG 13 -10.755 6.296 2.857 116 H ILE 14 H ILE 14 -3.813 0.814 3.444 117 HA ILE 14 HA ILE 14 -4.185 1.393 0.714 118 HB ILE 14 HB ILE 14 -1.743 0.384 2.248 119 HG12 ILE 14 2HG1 ILE 14 -2.402 3.215 1.298 120 HG13 ILE 14 1HG1 ILE 14 -2.723 2.622 2.922 121 HG21 ILE 14 1HG2 ILE 14 -0.350 1.178 0.373 122 HG22 ILE 14 2HG2 ILE 14 -1.801 1.535 -0.564 123 HG23 ILE 14 3HG2 ILE 14 -1.423 -0.133 -0.128 124 HD11 ILE 14 1HD1 ILE 14 -0.702 3.958 2.815 125 HD12 ILE 14 2HD1 ILE 14 0.008 2.839 1.657 126 HD13 ILE 14 3HD1 ILE 14 -0.348 2.305 3.306 127 H ALA 15 H ALA 15 -3.087 -1.633 2.275 128 HA ALA 15 HA ALA 15 -2.635 -3.170 -0.031 129 HB1 ALA 15 1HB ALA 15 -1.785 -3.715 2.209 130 HB2 ALA 15 2HB ALA 15 -2.640 -5.085 1.496 131 HB3 ALA 15 3HB ALA 15 -3.418 -4.103 2.744 132 H LEU 16 H LEU 16 -5.487 -2.891 2.027 133 HA LEU 16 HA LEU 16 -7.058 -4.904 0.745 134 HB2 LEU 16 2HB LEU 16 -7.871 -2.628 2.596 135 HB3 LEU 16 1HB LEU 16 -8.963 -3.903 2.076 136 HG LEU 16 HG LEU 16 -6.452 -4.324 3.760 137 HD11 LEU 16 1HD1 LEU 16 -7.995 -4.825 5.612 138 HD12 LEU 16 2HD1 LEU 16 -9.374 -4.422 4.585 139 HD13 LEU 16 3HD1 LEU 16 -8.205 -3.174 5.024 140 HD21 LEU 16 1HD2 LEU 16 -8.559 -6.330 2.892 141 HD22 LEU 16 2HD2 LEU 16 -7.249 -6.642 4.033 142 HD23 LEU 16 3HD2 LEU 16 -6.878 -6.269 2.353 143 H LEU 17 H LEU 17 -6.906 -1.353 0.441 144 HA LEU 17 HA LEU 17 -9.061 -1.012 -1.355 145 HB2 LEU 17 2HB LEU 17 -6.589 0.685 -0.853 146 HB3 LEU 17 1HB LEU 17 -7.778 1.137 -2.062 147 HG LEU 17 HG LEU 17 -8.291 0.897 0.931 148 HD11 LEU 17 1HD1 LEU 17 -8.203 3.348 -0.864 149 HD12 LEU 17 2HD1 LEU 17 -6.982 2.885 0.324 150 HD13 LEU 17 3HD1 LEU 17 -8.601 3.331 0.857 151 HD21 LEU 17 1HD2 LEU 17 -10.271 0.204 -0.318 152 HD22 LEU 17 2HD2 LEU 17 -10.210 1.676 -1.290 153 HD23 LEU 17 3HD2 LEU 17 -10.538 1.770 0.442 154 H SER 18 H SER 18 -5.556 -1.386 -1.975 155 HA SER 18 HA SER 18 -5.655 -1.157 -4.783 156 HB2 SER 18 2HB SER 18 -3.373 -2.175 -4.719 157 HB3 SER 18 1HB SER 18 -3.564 -0.881 -3.533 158 HG SER 18 HG SER 18 -3.693 -2.372 -1.919 159 H GLN 19 H GLN 19 -5.794 -4.039 -2.642 160 HA GLN 19 HA GLN 19 -5.870 -5.991 -4.689 161 HB2 GLN 19 2HB GLN 19 -5.413 -6.571 -2.327 162 HB3 GLN 19 1HB GLN 19 -7.066 -6.152 -1.891 163 HG2 GLN 19 2HG GLN 19 -6.690 -8.608 -2.075 164 HG3 GLN 19 1HG GLN 19 -7.946 -8.027 -3.163 165 HE21 GLN 19 1HE2 GLN 19 -4.694 -9.313 -2.980 166 HE22 GLN 19 2HE2 GLN 19 -4.532 -9.692 -4.652 167 H SER 20 H SER 20 -8.460 -4.215 -3.029 168 HA SER 20 HA SER 20 -10.648 -5.422 -4.301 169 HB2 SER 20 2HB SER 20 -10.362 -2.584 -3.260 170 HB3 SER 20 1HB SER 20 -11.889 -3.347 -3.710 171 HG SER 20 HG SER 20 -10.192 -4.614 -1.860 172 H LEU 21 H LEU 21 -8.669 -2.601 -5.247 173 HA LEU 21 HA LEU 21 -10.148 -1.842 -7.536 174 HB2 LEU 21 2HB LEU 21 -7.184 -1.365 -6.957 175 HB3 LEU 21 1HB LEU 21 -8.132 -0.529 -8.176 176 HG LEU 21 HG LEU 21 -8.427 -0.284 -5.162 177 HD11 LEU 21 1HD1 LEU 21 -7.582 1.772 -7.225 178 HD12 LEU 21 2HD1 LEU 21 -6.528 0.963 -6.063 179 HD13 LEU 21 3HD1 LEU 21 -7.781 2.062 -5.495 180 HD21 LEU 21 1HD2 LEU 21 -10.159 0.989 -7.292 181 HD22 LEU 21 2HD2 LEU 21 -10.201 1.370 -5.569 182 HD23 LEU 21 3HD2 LEU 21 -10.656 -0.239 -6.124 183 H LEU 22 H LEU 22 -7.561 -4.174 -7.027 184 HA LEU 22 HA LEU 22 -6.963 -4.734 -9.747 185 HB2 LEU 22 2HB LEU 22 -5.436 -5.316 -7.888 186 HB3 LEU 22 1HB LEU 22 -6.608 -6.475 -7.279 187 HG LEU 22 HG LEU 22 -6.327 -7.834 -9.372 188 HD11 LEU 22 1HD1 LEU 22 -4.472 -7.395 -10.909 189 HD12 LEU 22 2HD1 LEU 22 -4.113 -5.878 -10.078 190 HD13 LEU 22 3HD1 LEU 22 -5.644 -6.078 -10.936 191 HD21 LEU 22 1HD2 LEU 22 -3.737 -7.305 -7.883 192 HD22 LEU 22 2HD2 LEU 22 -4.133 -8.750 -8.818 193 HD23 LEU 22 3HD2 LEU 22 -5.040 -8.374 -7.357 194 H GLU 23 H GLU 23 -8.970 -6.493 -7.356 195 HA GLU 23 HA GLU 23 -10.007 -8.524 -8.965 196 HB2 GLU 23 2HB GLU 23 -11.344 -7.083 -6.638 197 HB3 GLU 23 1HB GLU 23 -11.885 -8.622 -7.300 198 HG2 GLU 23 2HG GLU 23 -9.874 -9.736 -6.537 199 HG3 GLU 23 1HG GLU 23 -9.147 -8.198 -6.061 200 H LEU 24 H LEU 24 -11.278 -5.292 -8.285 201 HA LEU 24 HA LEU 24 -13.705 -5.508 -9.732 202 HB2 LEU 24 2HB LEU 24 -12.157 -3.062 -8.773 203 HB3 LEU 24 1HB LEU 24 -13.776 -2.990 -9.459 204 HG LEU 24 HG LEU 24 -13.071 -4.531 -6.929 205 HD11 LEU 24 1HD1 LEU 24 -14.133 -2.733 -5.656 206 HD12 LEU 24 2HD1 LEU 24 -14.372 -1.804 -7.136 207 HD13 LEU 24 3HD1 LEU 24 -12.739 -2.132 -6.556 208 HD21 LEU 24 1HD2 LEU 24 -15.501 -4.634 -6.580 209 HD22 LEU 24 2HD2 LEU 24 -15.010 -5.448 -8.064 210 HD23 LEU 24 3HD2 LEU 24 -15.757 -3.849 -8.140 211 H ALA 25 H ALA 25 -10.466 -4.337 -10.617 212 HA ALA 25 HA ALA 25 -11.092 -3.322 -13.200 213 HB1 ALA 25 1HB ALA 25 -8.689 -3.511 -13.649 214 HB2 ALA 25 2HB ALA 25 -8.487 -4.539 -12.223 215 HB3 ALA 25 3HB ALA 25 -8.969 -2.852 -12.037 216 H GLN 26 H GLN 26 -10.198 -6.545 -12.043 217 HA GLN 26 HA GLN 26 -10.110 -7.848 -14.597 218 HB2 GLN 26 2HB GLN 26 -10.464 -8.962 -11.782 219 HB3 GLN 26 1HB GLN 26 -10.143 -9.948 -13.210 220 HG2 GLN 26 2HG GLN 26 -7.971 -8.921 -13.511 221 HG3 GLN 26 1HG GLN 26 -8.279 -7.762 -12.219 222 HE21 GLN 26 1HE2 GLN 26 -6.108 -9.667 -12.505 223 HE22 GLN 26 2HE2 GLN 26 -6.137 -10.644 -11.082 224 H ARG 27 H ARG 27 -12.667 -7.172 -12.288 225 HA ARG 27 HA ARG 27 -14.733 -8.715 -13.600 226 HB2 ARG 27 2HB ARG 27 -14.934 -6.392 -11.618 227 HB3 ARG 27 1HB ARG 27 -16.279 -7.419 -12.115 228 HG2 ARG 27 2HG ARG 27 -15.272 -9.357 -11.046 229 HG3 ARG 27 1HG ARG 27 -13.812 -8.440 -10.678 230 HD2 ARG 27 2HD ARG 27 -15.258 -6.904 -9.245 231 HD3 ARG 27 1HD ARG 27 -16.577 -8.060 -9.479 232 HE ARG 27 HE ARG 27 -14.401 -9.523 -8.542 233 HH11 ARG 27 1HH1 ARG 27 -16.440 -6.907 -7.300 234 HH12 ARG 27 2HH1 ARG 27 -16.212 -7.371 -5.638 235 HH21 ARG 27 1HH2 ARG 27 -14.128 -10.107 -6.351 236 HH22 ARG 27 2HH2 ARG 27 -14.908 -9.179 -5.101 237 H GLY 28 H GLY 28 -13.320 -5.551 -13.967 238 HA2 GLY 28 2HA GLY 28 -13.504 -4.168 -15.851 239 HA3 GLY 28 1HA GLY 28 -15.033 -4.917 -16.278 240 H GLU 29 H GLU 29 -14.812 -4.075 -12.995 241 HA GLU 29 HA GLU 29 -16.656 -1.847 -13.232 242 HB2 GLU 29 2HB GLU 29 -15.394 -2.748 -10.619 243 HB3 GLU 29 1HB GLU 29 -16.977 -2.040 -10.896 244 HG2 GLU 29 2HG GLU 29 -16.099 -4.867 -11.492 245 HG3 GLU 29 1HG GLU 29 -17.229 -4.345 -10.244 246 H TRP 30 H TRP 30 -14.677 -0.823 -14.506 247 HA TRP 30 HA TRP 30 -12.451 0.257 -13.116 248 HB2 TRP 30 2HB TRP 30 -13.717 1.111 -15.760 249 HB3 TRP 30 1HB TRP 30 -12.157 1.684 -15.168 250 HD1 TRP 30 HD1 TRP 30 -13.765 -1.296 -16.904 251 HE1 TRP 30 HE1 TRP 30 -11.938 -2.992 -17.542 252 HE3 TRP 30 HE3 TRP 30 -9.825 0.737 -14.351 253 HZ2 TRP 30 HZ2 TRP 30 -9.198 -3.408 -17.048 254 HZ3 TRP 30 HZ3 TRP 30 -7.631 -0.370 -14.487 255 HH2 TRP 30 HH2 TRP 30 -7.326 -2.402 -15.807 256 H ASP 31 H ASP 31 -15.735 1.363 -13.501 257 HA ASP 31 HA ASP 31 -15.596 4.028 -12.761 258 HB2 ASP 31 2HB ASP 31 -17.639 1.910 -11.955 259 HB3 ASP 31 1HB ASP 31 -17.846 3.622 -11.587 260 H LEU 32 H LEU 32 -15.724 1.160 -10.656 261 HA LEU 32 HA LEU 32 -15.717 2.514 -8.179 262 HB2 LEU 32 2HB LEU 32 -14.850 -0.344 -8.770 263 HB3 LEU 32 1HB LEU 32 -15.232 0.299 -7.180 264 HG LEU 32 HG LEU 32 -17.188 -0.108 -9.478 265 HD11 LEU 32 1HD1 LEU 32 -18.229 -1.786 -8.022 266 HD12 LEU 32 2HD1 LEU 32 -16.981 -1.518 -6.801 267 HD13 LEU 32 3HD1 LEU 32 -16.549 -2.191 -8.374 268 HD21 LEU 32 1HD2 LEU 32 -17.834 1.896 -8.246 269 HD22 LEU 32 2HD2 LEU 32 -17.749 1.021 -6.718 270 HD23 LEU 32 3HD2 LEU 32 -18.967 0.585 -7.919 271 H LEU 33 H LEU 33 -13.105 1.495 -10.308 272 HA LEU 33 HA LEU 33 -10.958 1.875 -8.452 273 HB2 LEU 33 2HB LEU 33 -11.038 1.755 -11.481 274 HB3 LEU 33 1HB LEU 33 -9.567 2.220 -10.642 275 HG LEU 33 HG LEU 33 -9.749 -0.002 -9.366 276 HD11 LEU 33 1HD1 LEU 33 -12.067 -0.548 -9.848 277 HD12 LEU 33 2HD1 LEU 33 -10.990 -1.822 -10.415 278 HD13 LEU 33 3HD1 LEU 33 -11.698 -0.689 -11.570 279 HD21 LEU 33 1HD2 LEU 33 -9.216 -0.096 -12.346 280 HD22 LEU 33 2HD2 LEU 33 -8.641 -1.262 -11.150 281 HD23 LEU 33 3HD2 LEU 33 -8.075 0.406 -11.096 282 H LEU 34 H LEU 34 -12.271 3.953 -11.054 283 HA LEU 34 HA LEU 34 -10.562 6.166 -10.593 284 HB2 LEU 34 2HB LEU 34 -13.303 6.085 -11.920 285 HB3 LEU 34 1HB LEU 34 -12.176 7.429 -12.026 286 HG LEU 34 HG LEU 34 -11.718 4.636 -13.155 287 HD11 LEU 34 1HD1 LEU 34 -12.255 7.253 -14.600 288 HD12 LEU 34 2HD1 LEU 34 -13.375 5.897 -14.443 289 HD13 LEU 34 3HD1 LEU 34 -11.885 5.701 -15.361 290 HD21 LEU 34 1HD2 LEU 34 -9.678 5.561 -14.190 291 HD22 LEU 34 2HD2 LEU 34 -9.590 5.593 -12.431 292 HD23 LEU 34 3HD2 LEU 34 -9.922 7.081 -13.323 293 H GLN 35 H GLN 35 -13.624 5.244 -9.148 294 HA GLN 35 HA GLN 35 -14.237 7.729 -7.852 295 HB2 GLN 35 2HB GLN 35 -15.138 4.887 -7.192 296 HB3 GLN 35 1HB GLN 35 -15.811 6.346 -6.460 297 HG2 GLN 35 2HG GLN 35 -16.727 7.074 -8.564 298 HG3 GLN 35 1HG GLN 35 -15.896 5.789 -9.440 299 HE21 GLN 35 1HE2 GLN 35 -18.701 6.267 -9.498 300 HE22 GLN 35 2HE2 GLN 35 -19.471 4.861 -8.851 301 H GLN 36 H GLN 36 -12.559 4.749 -6.849 302 HA GLN 36 HA GLN 36 -12.037 5.757 -4.160 303 HB2 GLN 36 2HB GLN 36 -11.241 3.131 -5.519 304 HB3 GLN 36 1HB GLN 36 -10.864 3.545 -3.849 305 HG2 GLN 36 2HG GLN 36 -13.630 3.200 -5.026 306 HG3 GLN 36 1HG GLN 36 -12.812 2.089 -3.931 307 HE21 GLN 36 1HE2 GLN 36 -15.390 3.476 -3.610 308 HE22 GLN 36 2HE2 GLN 36 -15.262 4.364 -2.139 309 H GLU 37 H GLU 37 -10.525 6.005 -7.161 310 HA GLU 37 HA GLU 37 -7.831 5.579 -6.806 311 HB2 GLU 37 2HB GLU 37 -8.938 6.027 -8.975 312 HB3 GLU 37 1HB GLU 37 -9.167 7.714 -8.528 313 HG2 GLU 37 2HG GLU 37 -6.715 8.026 -8.487 314 HG3 GLU 37 1HG GLU 37 -6.491 6.335 -8.930 315 H VAL 38 H VAL 38 -9.505 8.736 -6.412 316 HA VAL 38 HA VAL 38 -7.187 10.211 -5.738 317 HB VAL 38 HB VAL 38 -10.090 10.889 -5.064 318 HG11 VAL 38 1HG1 VAL 38 -8.566 12.237 -3.700 319 HG12 VAL 38 2HG1 VAL 38 -9.303 13.248 -4.943 320 HG13 VAL 38 3HG1 VAL 38 -7.640 12.691 -5.133 321 HG21 VAL 38 1HG2 VAL 38 -8.418 11.714 -7.463 322 HG22 VAL 38 2HG2 VAL 38 -10.063 12.255 -7.116 323 HG23 VAL 38 3HG2 VAL 38 -9.752 10.557 -7.484 324 H SER 39 H SER 39 -9.656 8.654 -3.667 325 HA SER 39 HA SER 39 -8.685 9.612 -1.170 326 HB2 SER 39 2HB SER 39 -10.372 7.150 -1.809 327 HB3 SER 39 1HB SER 39 -10.116 7.807 -0.188 328 HG SER 39 HG SER 39 -11.069 9.505 -2.211 329 H TYR 40 H TYR 40 -8.005 6.745 -3.094 330 HA TYR 40 HA TYR 40 -6.492 5.295 -1.182 331 HB2 TYR 40 2HB TYR 40 -7.455 4.084 -3.045 332 HB3 TYR 40 1HB TYR 40 -6.658 5.125 -4.224 333 HD1 TYR 40 HD1 TYR 40 -5.713 2.872 -1.351 334 HD2 TYR 40 HD2 TYR 40 -4.765 4.213 -5.292 335 HE1 TYR 40 HE1 TYR 40 -3.808 1.340 -1.415 336 HE2 TYR 40 HE2 TYR 40 -2.858 2.675 -5.348 337 HH TYR 40 HH TYR 40 -1.415 1.459 -3.857 338 H LEU 41 H LEU 41 -5.476 7.285 -3.997 339 HA LEU 41 HA LEU 41 -2.698 7.027 -3.596 340 HB2 LEU 41 2HB LEU 41 -4.170 9.278 -5.022 341 HB3 LEU 41 1HB LEU 41 -2.460 8.912 -5.175 342 HG LEU 41 HG LEU 41 -4.769 7.179 -6.149 343 HD11 LEU 41 1HD1 LEU 41 -4.349 9.124 -7.573 344 HD12 LEU 41 2HD1 LEU 41 -3.903 7.634 -8.398 345 HD13 LEU 41 3HD1 LEU 41 -2.647 8.676 -7.721 346 HD21 LEU 41 1HD2 LEU 41 -2.997 5.716 -5.331 347 HD22 LEU 41 2HD2 LEU 41 -1.801 6.574 -6.303 348 HD23 LEU 41 3HD2 LEU 41 -3.086 5.656 -7.091 349 H GLN 42 H GLN 42 -5.040 9.425 -2.495 350 HA GLN 42 HA GLN 42 -3.467 11.314 -1.205 351 HB2 GLN 42 2HB GLN 42 -5.950 11.420 -1.548 352 HB3 GLN 42 1HB GLN 42 -6.163 10.190 -0.308 353 HG2 GLN 42 2HG GLN 42 -5.233 11.734 1.378 354 HG3 GLN 42 1HG GLN 42 -5.019 12.967 0.135 355 HE21 GLN 42 1HE2 GLN 42 -6.600 13.110 2.555 356 HE22 GLN 42 2HE2 GLN 42 -8.233 13.408 2.072 357 H SER 43 H SER 43 -4.996 8.427 0.230 358 HA SER 43 HA SER 43 -3.899 8.508 2.762 359 HB2 SER 43 2HB SER 43 -4.652 6.040 1.137 360 HB3 SER 43 1HB SER 43 -4.405 6.070 2.887 361 HG SER 43 HG SER 43 -6.559 6.912 1.398 362 H ILE 44 H ILE 44 -2.665 6.595 -0.019 363 HA ILE 44 HA ILE 44 -0.639 5.305 1.416 364 HB ILE 44 HB ILE 44 -1.597 4.342 -0.613 365 HG12 ILE 44 2HG1 ILE 44 1.395 4.781 -1.045 366 HG13 ILE 44 1HG1 ILE 44 0.712 3.625 0.096 367 HG21 ILE 44 1HG2 ILE 44 -1.889 6.369 -1.954 368 HG22 ILE 44 2HG2 ILE 44 -1.050 5.118 -2.872 369 HG23 ILE 44 3HG2 ILE 44 -0.148 6.481 -2.198 370 HD11 ILE 44 1HD1 ILE 44 0.378 3.566 -2.908 371 HD12 ILE 44 2HD1 ILE 44 -0.354 2.426 -1.775 372 HD13 ILE 44 3HD1 ILE 44 1.397 2.512 -1.929 373 H GLU 45 H GLU 45 -0.473 8.231 -0.623 374 HA GLU 45 HA GLU 45 2.363 8.504 -0.434 375 HB2 GLU 45 2HB GLU 45 0.309 10.681 -0.961 376 HB3 GLU 45 1HB GLU 45 2.042 10.804 -1.262 377 HG2 GLU 45 2HG GLU 45 0.039 9.035 -2.690 378 HG3 GLU 45 1HG GLU 45 0.945 10.388 -3.355 379 H THR 46 H THR 46 -0.361 9.935 1.426 380 HA THR 46 HA THR 46 1.195 11.503 3.189 381 HB THR 46 HB THR 46 -1.542 10.266 3.716 382 HG1 THR 46 HG1 THR 46 -2.272 11.748 2.400 383 HG21 THR 46 1HG2 THR 46 -0.536 11.178 5.801 384 HG22 THR 46 2HG2 THR 46 -1.897 12.166 5.268 385 HG23 THR 46 3HG2 THR 46 -0.244 12.716 4.986 386 H VAL 47 H VAL 47 0.514 8.034 3.227 387 HA VAL 47 HA VAL 47 1.344 7.520 5.935 388 HB VAL 47 HB VAL 47 1.305 5.548 3.593 389 HG11 VAL 47 1HG1 VAL 47 2.699 4.728 5.455 390 HG12 VAL 47 2HG1 VAL 47 1.220 3.780 5.327 391 HG13 VAL 47 3HG1 VAL 47 1.377 5.000 6.595 392 HG21 VAL 47 1HG2 VAL 47 -0.921 6.478 3.968 393 HG22 VAL 47 2HG2 VAL 47 -0.831 6.088 5.681 394 HG23 VAL 47 3HG2 VAL 47 -0.873 4.795 4.481 395 H MET 48 H MET 48 2.979 7.270 2.739 396 HA MET 48 HA MET 48 5.514 6.456 3.801 397 HB2 MET 48 2HB MET 48 4.831 7.732 1.126 398 HB3 MET 48 1HB MET 48 6.423 7.101 1.533 399 HG2 MET 48 2HG MET 48 5.387 4.845 1.861 400 HG3 MET 48 1HG MET 48 3.856 5.514 1.288 401 HE1 MET 48 1HE MET 48 4.710 6.492 -2.408 402 HE2 MET 48 2HE MET 48 4.915 7.562 -1.024 403 HE3 MET 48 3HE MET 48 3.493 6.514 -1.129 404 H GLU 49 H GLU 49 4.030 9.583 3.384 405 HA GLU 49 HA GLU 49 6.423 11.147 3.900 406 HB2 GLU 49 2HB GLU 49 3.467 11.881 3.812 407 HB3 GLU 49 1HB GLU 49 4.761 13.049 4.064 408 HG2 GLU 49 2HG GLU 49 5.675 12.565 1.830 409 HG3 GLU 49 1HG GLU 49 4.438 11.329 1.586 410 H LYS 50 H LYS 50 4.049 9.517 5.781 411 HA LYS 50 HA LYS 50 4.237 11.113 8.171 412 HB2 LYS 50 2HB LYS 50 2.262 9.616 7.434 413 HB3 LYS 50 1HB LYS 50 3.222 8.239 7.952 414 HG2 LYS 50 2HG LYS 50 1.625 8.841 9.674 415 HG3 LYS 50 1HG LYS 50 3.262 9.148 10.253 416 HD2 LYS 50 2HD LYS 50 1.783 10.956 10.949 417 HD3 LYS 50 1HD LYS 50 2.959 11.571 9.794 418 HE2 LYS 50 2HE LYS 50 0.150 10.769 8.964 419 HE3 LYS 50 1HE LYS 50 0.533 12.381 9.553 420 HZ1 LYS 50 1HZ LYS 50 1.579 11.081 7.097 421 HZ2 LYS 50 2HZ LYS 50 2.198 12.524 7.721 422 HZ3 LYS 50 3HZ LYS 50 0.592 12.452 7.208 423 H GLN 51 H GLN 51 5.617 10.815 9.902 424 HA GLN 51 HA GLN 51 8.057 9.437 9.586 425 HB2 GLN 51 2HB GLN 51 7.972 11.349 11.053 426 HB3 GLN 51 1HB GLN 51 6.719 10.623 12.051 427 HG2 GLN 51 2HG GLN 51 8.341 8.918 12.828 428 HG3 GLN 51 1HG GLN 51 9.594 9.661 11.838 429 HE21 GLN 51 1HE2 GLN 51 8.879 12.407 12.437 430 HE22 GLN 51 2HE2 GLN 51 9.327 12.692 14.079 431 H THR 52 H THR 52 8.247 7.294 9.513 432 HA THR 52 HA THR 52 6.531 5.378 10.676 433 HB THR 52 HB THR 52 9.424 5.084 9.736 434 HG1 THR 52 HG1 THR 52 7.180 5.527 8.382 435 HG21 THR 52 1HG2 THR 52 7.334 2.938 10.306 436 HG22 THR 52 2HG2 THR 52 8.836 3.193 11.198 437 HG23 THR 52 3HG2 THR 52 8.889 2.655 9.520 438 HA PRO 53 HA PRO 53 7.919 5.757 14.997 439 HB2 PRO 53 2HB PRO 53 6.909 3.305 15.887 440 HB3 PRO 53 1HB PRO 53 5.927 4.767 15.676 441 HG2 PRO 53 2HG PRO 53 6.285 2.464 13.782 442 HG3 PRO 53 1HG PRO 53 4.792 3.297 14.272 443 HD2 PRO 53 2HD PRO 53 5.924 3.876 11.936 444 HD3 PRO 53 1HD PRO 53 5.235 5.174 12.939 445 HA PRO 54 HA PRO 54 11.719 3.333 15.043 446 HB2 PRO 54 2HB PRO 54 12.116 3.913 17.900 447 HB3 PRO 54 1HB PRO 54 12.906 4.649 16.493 448 HG2 PRO 54 2HG PRO 54 11.178 6.017 18.100 449 HG3 PRO 54 1HG PRO 54 11.409 6.396 16.377 450 HD2 PRO 54 2HD PRO 54 9.219 4.764 17.673 451 HD3 PRO 54 1HD PRO 54 9.101 6.035 16.427 452 H GLY 55 H GLY 55 9.672 2.804 17.961 453 HA2 GLY 55 2HA GLY 55 10.879 0.250 18.578 454 HA3 GLY 55 1HA GLY 55 9.539 1.022 19.410 455 H ILE 56 H ILE 56 10.409 -0.850 16.557 456 HA ILE 56 HA ILE 56 7.633 -1.910 16.341 457 HB ILE 56 HB ILE 56 9.660 -1.421 14.097 458 HG12 ILE 56 2HG1 ILE 56 6.954 -0.084 14.609 459 HG13 ILE 56 1HG1 ILE 56 8.527 0.663 14.870 460 HG21 ILE 56 1HG2 ILE 56 7.849 -2.197 12.581 461 HG22 ILE 56 2HG2 ILE 56 6.879 -2.636 13.984 462 HG23 ILE 56 3HG2 ILE 56 8.403 -3.464 13.670 463 HD11 ILE 56 1HD1 ILE 56 9.005 0.440 12.459 464 HD12 ILE 56 2HD1 ILE 56 7.599 1.447 12.809 465 HD13 ILE 56 3HD1 ILE 56 7.374 -0.199 12.216 466 H THR 57 H THR 57 7.455 -4.174 16.095 467 HA THR 57 HA THR 57 9.884 -5.796 16.565 468 HB THR 57 HB THR 57 8.301 -7.592 17.234 469 HG1 THR 57 HG1 THR 57 5.998 -6.612 17.484 470 HG21 THR 57 1HG2 THR 57 9.011 -5.961 18.975 471 HG22 THR 57 2HG2 THR 57 7.381 -6.565 19.268 472 HG23 THR 57 3HG2 THR 57 7.611 -4.952 18.589 473 H ARG 58 H ARG 58 9.813 -8.033 15.504 474 HA ARG 58 HA ARG 58 9.811 -7.803 12.683 475 HB2 ARG 58 2HB ARG 58 11.320 -9.374 13.773 476 HB3 ARG 58 1HB ARG 58 9.975 -10.270 14.472 477 HG2 ARG 58 2HG ARG 58 10.895 -11.519 12.591 478 HG3 ARG 58 1HG ARG 58 9.271 -10.965 12.185 479 HD2 ARG 58 2HD ARG 58 10.492 -8.951 11.037 480 HD3 ARG 58 1HD ARG 58 11.929 -9.975 11.134 481 HE ARG 58 HE ARG 58 9.632 -11.264 9.951 482 HH11 ARG 58 1HH1 ARG 58 12.409 -9.209 9.232 483 HH12 ARG 58 2HH1 ARG 58 12.439 -9.643 7.552 484 HH21 ARG 58 1HH2 ARG 58 9.668 -11.783 7.743 485 HH22 ARG 58 2HH2 ARG 58 10.889 -11.098 6.708 486 H SER 59 H SER 59 7.379 -9.115 14.945 487 HA SER 59 HA SER 59 5.699 -10.400 13.099 488 HB2 SER 59 2HB SER 59 4.869 -8.937 15.636 489 HB3 SER 59 1HB SER 59 3.943 -10.191 14.803 490 HG SER 59 HG SER 59 5.558 -10.629 16.713 491 H ILE 60 H ILE 60 5.802 -7.037 14.200 492 HA ILE 60 HA ILE 60 3.633 -6.028 12.657 493 HB ILE 60 HB ILE 60 6.060 -4.574 13.803 494 HG12 ILE 60 2HG1 ILE 60 3.237 -4.819 14.949 495 HG13 ILE 60 1HG1 ILE 60 4.615 -5.770 15.491 496 HG21 ILE 60 1HG2 ILE 60 3.457 -3.406 12.754 497 HG22 ILE 60 2HG2 ILE 60 5.056 -3.208 12.036 498 HG23 ILE 60 3HG2 ILE 60 4.701 -2.496 13.610 499 HD11 ILE 60 1HD1 ILE 60 4.171 -3.959 17.014 500 HD12 ILE 60 2HD1 ILE 60 4.323 -2.778 15.714 501 HD13 ILE 60 3HD1 ILE 60 5.729 -3.714 16.228 502 H GLN 61 H GLN 61 7.120 -6.331 12.083 503 HA GLN 61 HA GLN 61 7.331 -5.011 9.603 504 HB2 GLN 61 2HB GLN 61 9.213 -5.726 11.110 505 HB3 GLN 61 1HB GLN 61 8.960 -7.394 10.614 506 HG2 GLN 61 2HG GLN 61 9.702 -6.921 8.374 507 HG3 GLN 61 1HG GLN 61 9.673 -5.178 8.673 508 HE21 GLN 61 1HE2 GLN 61 11.864 -4.855 8.220 509 HE22 GLN 61 2HE2 GLN 61 13.141 -5.454 9.217 510 H ASP 62 H ASP 62 6.338 -8.306 10.416 511 HA ASP 62 HA ASP 62 6.343 -9.323 7.724 512 HB2 ASP 62 2HB ASP 62 5.119 -10.396 10.297 513 HB3 ASP 62 1HB ASP 62 4.992 -11.249 8.762 514 H MET 63 H MET 63 3.777 -8.167 9.932 515 HA MET 63 HA MET 63 1.592 -8.636 8.174 516 HB2 MET 63 2HB MET 63 1.788 -6.628 10.463 517 HB3 MET 63 1HB MET 63 0.297 -7.124 9.670 518 HG2 MET 63 2HG MET 63 0.656 -9.435 10.460 519 HG3 MET 63 1HG MET 63 2.126 -8.908 11.280 520 HE1 MET 63 1HE MET 63 0.675 -6.454 14.009 521 HE2 MET 63 2HE MET 63 1.214 -5.982 12.399 522 HE3 MET 63 3HE MET 63 2.140 -7.161 13.327 523 H VAL 64 H VAL 64 3.386 -5.639 8.926 524 HA VAL 64 HA VAL 64 2.047 -3.950 7.114 525 HB VAL 64 HB VAL 64 4.819 -3.682 8.375 526 HG11 VAL 64 1HG1 VAL 64 3.254 -1.589 6.817 527 HG12 VAL 64 2HG1 VAL 64 4.766 -2.349 6.313 528 HG13 VAL 64 3HG1 VAL 64 4.740 -1.291 7.723 529 HG21 VAL 64 1HG2 VAL 64 2.946 -3.664 9.986 530 HG22 VAL 64 2HG2 VAL 64 2.158 -2.371 9.079 531 HG23 VAL 64 3HG2 VAL 64 3.697 -2.069 9.890 532 H ALA 65 H ALA 65 5.356 -5.464 6.732 533 HA ALA 65 HA ALA 65 5.576 -4.508 4.032 534 HB1 ALA 65 1HB ALA 65 7.633 -5.801 3.859 535 HB2 ALA 65 2HB ALA 65 7.233 -6.696 5.334 536 HB3 ALA 65 3HB ALA 65 7.577 -4.968 5.414 537 H GLY 66 H GLY 66 4.202 -7.422 5.442 538 HA2 GLY 66 2HA GLY 66 3.937 -8.959 3.055 539 HA3 GLY 66 1HA GLY 66 2.910 -9.080 4.481 540 H TYR 67 H TYR 67 1.920 -6.475 4.560 541 HA TYR 67 HA TYR 67 -0.109 -6.500 2.538 542 HB2 TYR 67 2HB TYR 67 0.469 -4.824 4.975 543 HB3 TYR 67 1HB TYR 67 -0.615 -4.145 3.766 544 HD1 TYR 67 HD1 TYR 67 -1.628 -7.207 3.085 545 HD2 TYR 67 HD2 TYR 67 -1.511 -4.724 6.569 546 HE1 TYR 67 HE1 TYR 67 -3.579 -8.389 3.989 547 HE2 TYR 67 HE2 TYR 67 -3.466 -5.921 7.459 548 HH TYR 67 HH TYR 67 -4.623 -8.844 6.145 549 H ILE 68 H ILE 68 2.884 -4.642 2.989 550 HA ILE 68 HA ILE 68 2.363 -2.770 0.895 551 HB ILE 68 HB ILE 68 5.154 -3.634 1.813 552 HG12 ILE 68 2HG1 ILE 68 3.357 -1.410 2.890 553 HG13 ILE 68 1HG1 ILE 68 3.958 -2.802 3.777 554 HG21 ILE 68 1HG2 ILE 68 5.882 -1.453 0.875 555 HG22 ILE 68 2HG2 ILE 68 4.226 -1.105 0.376 556 HG23 ILE 68 3HG2 ILE 68 5.105 -2.443 -0.365 557 HD11 ILE 68 1HD1 ILE 68 5.173 -0.857 4.432 558 HD12 ILE 68 2HD1 ILE 68 5.570 -0.478 2.756 559 HD13 ILE 68 3HD1 ILE 68 6.250 -1.916 3.520 560 H LYS 69 H LYS 69 3.889 -5.964 1.097 561 HA LYS 69 HA LYS 69 4.778 -6.307 -1.540 562 HB2 LYS 69 2HB LYS 69 5.150 -7.824 0.540 563 HB3 LYS 69 1HB LYS 69 3.585 -8.542 0.198 564 HG2 LYS 69 2HG LYS 69 5.837 -8.515 -1.835 565 HG3 LYS 69 1HG LYS 69 5.691 -9.780 -0.619 566 HD2 LYS 69 2HD LYS 69 3.522 -10.452 -1.539 567 HD3 LYS 69 1HD LYS 69 3.573 -9.114 -2.691 568 HE2 LYS 69 2HE LYS 69 5.638 -10.124 -3.699 569 HE3 LYS 69 1HE LYS 69 5.446 -11.510 -2.621 570 HZ1 LYS 69 1HZ LYS 69 4.510 -11.962 -4.790 571 HZ2 LYS 69 2HZ LYS 69 3.490 -10.618 -4.678 572 HZ3 LYS 69 3HZ LYS 69 3.278 -11.929 -3.635 573 H GLN 70 H GLN 70 1.659 -7.079 -0.001 574 HA GLN 70 HA GLN 70 0.242 -8.098 -2.152 575 HB2 GLN 70 2HB GLN 70 -0.595 -8.138 0.178 576 HB3 GLN 70 1HB GLN 70 -0.840 -6.394 0.135 577 HG2 GLN 70 2HG GLN 70 -2.559 -6.652 -1.594 578 HG3 GLN 70 1HG GLN 70 -2.276 -8.392 -1.643 579 HE21 GLN 70 1HE2 GLN 70 -4.454 -8.820 -1.126 580 HE22 GLN 70 2HE2 GLN 70 -5.100 -8.550 0.452 581 H THR 71 H THR 71 0.532 -4.625 -1.147 582 HA THR 71 HA THR 71 -1.091 -3.758 -3.376 583 HB THR 71 HB THR 71 -1.355 -2.366 -1.488 584 HG1 THR 71 HG1 THR 71 -1.418 -0.916 -3.045 585 HG21 THR 71 1HG2 THR 71 0.715 -2.833 -0.261 586 HG22 THR 71 2HG2 THR 71 0.408 -1.102 -0.370 587 HG23 THR 71 3HG2 THR 71 1.629 -1.851 -1.406 588 H LEU 72 H LEU 72 2.336 -4.350 -2.953 589 HA LEU 72 HA LEU 72 3.331 -2.803 -5.112 590 HB2 LEU 72 2HB LEU 72 4.360 -5.528 -4.173 591 HB3 LEU 72 1HB LEU 72 5.178 -4.501 -5.335 592 HG LEU 72 HG LEU 72 4.876 -4.075 -2.358 593 HD11 LEU 72 1HD1 LEU 72 7.336 -4.177 -4.121 594 HD12 LEU 72 2HD1 LEU 72 6.763 -5.461 -3.055 595 HD13 LEU 72 3HD1 LEU 72 7.319 -3.936 -2.371 596 HD21 LEU 72 1HD2 LEU 72 4.332 -1.942 -3.327 597 HD22 LEU 72 2HD2 LEU 72 5.767 -1.999 -4.364 598 HD23 LEU 72 3HD2 LEU 72 5.944 -1.873 -2.611 599 H ASP 73 H ASP 73 2.236 -6.203 -4.957 600 HA ASP 73 HA ASP 73 2.338 -6.745 -7.722 601 HB2 ASP 73 2HB ASP 73 0.594 -8.008 -5.555 602 HB3 ASP 73 1HB ASP 73 0.690 -8.623 -7.207 603 H ASN 74 H ASN 74 -0.485 -5.876 -5.711 604 HA ASN 74 HA ASN 74 -2.495 -5.972 -7.614 605 HB2 ASN 74 2HB ASN 74 -2.321 -4.082 -5.230 606 HB3 ASN 74 1HB ASN 74 -3.794 -4.431 -6.130 607 HD21 ASN 74 1HD2 ASN 74 -3.233 -4.793 -3.345 608 HD22 ASN 74 2HD2 ASN 74 -3.507 -6.460 -3.008 609 H GLU 75 H GLU 75 -0.699 -3.073 -6.549 610 HA GLU 75 HA GLU 75 -1.832 -1.260 -8.364 611 HB2 GLU 75 2HB GLU 75 0.707 -1.273 -6.726 612 HB3 GLU 75 1HB GLU 75 0.466 -0.000 -7.914 613 HG2 GLU 75 2HG GLU 75 -1.468 -0.622 -5.663 614 HG3 GLU 75 1HG GLU 75 -0.222 0.626 -5.609 615 H GLN 76 H GLN 76 1.312 -2.996 -8.553 616 HA GLN 76 HA GLN 76 2.134 -1.774 -10.973 617 HB2 GLN 76 2HB GLN 76 3.609 -2.888 -9.264 618 HB3 GLN 76 1HB GLN 76 3.055 -4.450 -9.852 619 HG2 GLN 76 2HG GLN 76 4.031 -3.956 -12.058 620 HG3 GLN 76 1HG GLN 76 4.582 -2.387 -11.466 621 HE21 GLN 76 1HE2 GLN 76 4.642 -5.455 -9.658 622 HE22 GLN 76 2HE2 GLN 76 6.363 -5.543 -9.554 623 H LEU 77 H LEU 77 0.213 -4.631 -10.360 624 HA LEU 77 HA LEU 77 0.214 -5.694 -13.024 625 HB2 LEU 77 2HB LEU 77 -1.583 -6.155 -10.609 626 HB3 LEU 77 1HB LEU 77 -1.849 -6.970 -12.141 627 HG LEU 77 HG LEU 77 0.678 -7.238 -10.453 628 HD11 LEU 77 1HD1 LEU 77 -1.243 -8.310 -9.362 629 HD12 LEU 77 2HD1 LEU 77 -0.098 -9.512 -9.945 630 HD13 LEU 77 3HD1 LEU 77 -1.596 -9.219 -10.834 631 HD21 LEU 77 1HD2 LEU 77 -0.148 -8.685 -12.988 632 HD22 LEU 77 2HD2 LEU 77 1.273 -9.053 -12.006 633 HD23 LEU 77 3HD2 LEU 77 1.155 -7.501 -12.830 634 H LEU 78 H LEU 78 -1.994 -3.568 -11.159 635 HA LEU 78 HA LEU 78 -3.898 -3.055 -13.180 636 HB2 LEU 78 2HB LEU 78 -2.962 -1.320 -10.858 637 HB3 LEU 78 1HB LEU 78 -4.274 -0.837 -11.923 638 HG LEU 78 HG LEU 78 -4.272 -3.304 -10.145 639 HD11 LEU 78 1HD1 LEU 78 -5.999 -2.142 -8.860 640 HD12 LEU 78 2HD1 LEU 78 -5.841 -0.718 -9.893 641 HD13 LEU 78 3HD1 LEU 78 -4.494 -1.220 -8.864 642 HD21 LEU 78 1HD2 LEU 78 -6.412 -2.218 -11.998 643 HD22 LEU 78 2HD2 LEU 78 -6.625 -3.537 -10.845 644 HD23 LEU 78 3HD2 LEU 78 -5.509 -3.724 -12.192 645 H LYS 79 H LYS 79 -0.729 -1.638 -12.572 646 HA LYS 79 HA LYS 79 -0.988 0.620 -14.319 647 HB2 LYS 79 2HB LYS 79 1.611 -0.706 -13.375 648 HB3 LYS 79 1HB LYS 79 1.424 0.933 -13.990 649 HG2 LYS 79 2HG LYS 79 0.341 -0.143 -11.388 650 HG3 LYS 79 1HG LYS 79 1.695 0.961 -11.565 651 HD2 LYS 79 2HD LYS 79 0.286 2.750 -12.228 652 HD3 LYS 79 1HD LYS 79 -1.084 1.692 -12.554 653 HE2 LYS 79 2HE LYS 79 0.041 2.100 -9.762 654 HE3 LYS 79 1HE LYS 79 -1.248 3.101 -10.448 655 HZ1 LYS 79 1HZ LYS 79 -1.345 0.163 -10.025 656 HZ2 LYS 79 2HZ LYS 79 -2.542 1.050 -10.813 657 HZ3 LYS 79 3HZ LYS 79 -2.215 1.342 -9.180 658 H GLY 80 H GLY 80 0.595 -2.566 -14.581 659 HA2 GLY 80 2HA GLY 80 1.392 -2.432 -17.290 660 HA3 GLY 80 1HA GLY 80 1.145 -3.898 -16.355 661 H LEU 81 H LEU 81 -1.651 -3.266 -15.772 662 HA LEU 81 HA LEU 81 -2.937 -4.445 -18.028 663 HB2 LEU 81 2HB LEU 81 -3.520 -4.469 -15.433 664 HB3 LEU 81 1HB LEU 81 -4.463 -3.044 -15.799 665 HG LEU 81 HG LEU 81 -4.896 -5.802 -17.054 666 HD11 LEU 81 1HD1 LEU 81 -6.912 -5.936 -15.628 667 HD12 LEU 81 2HD1 LEU 81 -6.436 -4.442 -14.815 668 HD13 LEU 81 3HD1 LEU 81 -5.423 -5.883 -14.686 669 HD21 LEU 81 1HD2 LEU 81 -5.679 -4.062 -18.555 670 HD22 LEU 81 2HD2 LEU 81 -6.593 -3.298 -17.255 671 HD23 LEU 81 3HD2 LEU 81 -7.058 -4.897 -17.840 672 H LEU 82 H LEU 82 -2.733 -1.116 -16.730 673 HA LEU 82 HA LEU 82 -4.556 0.050 -18.612 674 HB2 LEU 82 2HB LEU 82 -2.403 1.343 -16.872 675 HB3 LEU 82 1HB LEU 82 -3.555 2.247 -17.842 676 HG LEU 82 HG LEU 82 -4.263 0.453 -15.479 677 HD11 LEU 82 1HD1 LEU 82 -4.841 2.551 -14.326 678 HD12 LEU 82 2HD1 LEU 82 -4.284 3.483 -15.718 679 HD13 LEU 82 3HD1 LEU 82 -3.139 2.519 -14.785 680 HD21 LEU 82 1HD2 LEU 82 -6.553 1.349 -15.725 681 HD22 LEU 82 2HD2 LEU 82 -6.059 0.411 -17.131 682 HD23 LEU 82 3HD2 LEU 82 -6.073 2.175 -17.211 683 H GLN 83 H GLN 83 -1.015 0.455 -18.276 684 HA GLN 83 HA GLN 83 -0.639 0.287 -21.188 685 HB2 GLN 83 2HB GLN 83 0.409 2.597 -19.479 686 HB3 GLN 83 1HB GLN 83 0.834 2.304 -21.155 687 HG2 GLN 83 2HG GLN 83 -1.926 3.023 -20.142 688 HG3 GLN 83 1HG GLN 83 -0.794 4.136 -20.903 689 HE21 GLN 83 1HE2 GLN 83 0.049 2.186 -22.953 690 HE22 GLN 83 2HE2 GLN 83 -1.274 2.037 -24.051 691 H GLN 84 H GLN 84 1.317 1.161 -18.287 692 HA GLN 84 HA GLN 84 3.225 -1.037 -18.830 693 HB2 GLN 84 2HB GLN 84 3.981 1.927 -18.704 694 HB3 GLN 84 1HB GLN 84 5.150 0.619 -18.562 695 HG2 GLN 84 2HG GLN 84 4.580 -0.137 -20.848 696 HG3 GLN 84 1HG GLN 84 3.414 1.180 -20.980 697 HE21 GLN 84 1HE2 GLN 84 4.494 2.049 -22.787 698 HE22 GLN 84 2HE2 GLN 84 6.014 2.862 -22.640 699 H ARG 85 H ARG 85 4.816 -1.266 -16.979 700 HA ARG 85 HA ARG 85 3.329 -1.589 -14.599 701 HB2 ARG 85 2HB ARG 85 5.365 -2.532 -13.629 702 HB3 ARG 85 1HB ARG 85 5.162 -3.103 -15.278 703 HG2 ARG 85 2HG ARG 85 6.823 -1.343 -16.007 704 HG3 ARG 85 1HG ARG 85 7.110 -0.994 -14.302 705 HD2 ARG 85 2HD ARG 85 7.554 -3.692 -15.632 706 HD3 ARG 85 1HD ARG 85 8.813 -2.506 -15.291 707 HE ARG 85 HE ARG 85 7.509 -3.083 -12.887 708 HH11 ARG 85 1HH1 ARG 85 9.547 -4.790 -15.216 709 HH12 ARG 85 2HH1 ARG 85 10.205 -5.873 -14.027 710 HH21 ARG 85 1HH2 ARG 85 8.415 -4.508 -11.334 711 HH22 ARG 85 2HH2 ARG 85 9.563 -5.711 -11.835 712 H LEU 86 H LEU 86 5.080 1.160 -15.676 713 HA LEU 86 HA LEU 86 5.157 2.353 -12.960 714 HB2 LEU 86 2HB LEU 86 6.570 3.224 -15.509 715 HB3 LEU 86 1HB LEU 86 6.682 4.057 -13.964 716 HG LEU 86 HG LEU 86 7.717 1.256 -14.574 717 HD11 LEU 86 1HD1 LEU 86 9.115 3.016 -15.526 718 HD12 LEU 86 2HD1 LEU 86 9.939 2.228 -14.184 719 HD13 LEU 86 3HD1 LEU 86 9.215 3.824 -13.958 720 HD21 LEU 86 1HD2 LEU 86 6.874 1.328 -12.283 721 HD22 LEU 86 2HD2 LEU 86 7.820 2.782 -11.954 722 HD23 LEU 86 3HD2 LEU 86 8.636 1.253 -12.291 723 H ASP 87 H ASP 87 3.351 2.428 -15.850 724 HA ASP 87 HA ASP 87 2.516 5.157 -15.926 725 HB2 ASP 87 2HB ASP 87 2.281 3.576 -17.870 726 HB3 ASP 87 1HB ASP 87 1.044 2.687 -16.992 727 H GLU 88 H GLU 88 1.710 5.987 -14.071 728 HA GLU 88 HA GLU 88 0.448 4.455 -12.041 729 HB2 GLU 88 2HB GLU 88 0.700 7.480 -12.285 730 HB3 GLU 88 1HB GLU 88 0.328 6.593 -10.806 731 HG2 GLU 88 2HG GLU 88 2.545 5.499 -10.902 732 HG3 GLU 88 1HG GLU 88 2.913 6.371 -12.387 733 H LEU 89 H LEU 89 -1.662 4.823 -11.056 734 HA LEU 89 HA LEU 89 -3.904 4.882 -12.725 735 HB2 LEU 89 2HB LEU 89 -3.721 5.594 -9.766 736 HB3 LEU 89 1HB LEU 89 -5.238 5.383 -10.624 737 HG LEU 89 HG LEU 89 -3.171 3.208 -10.086 738 HD11 LEU 89 1HD1 LEU 89 -4.885 2.233 -8.622 739 HD12 LEU 89 2HD1 LEU 89 -5.958 3.597 -8.945 740 HD13 LEU 89 3HD1 LEU 89 -4.436 3.853 -8.087 741 HD21 LEU 89 1HD2 LEU 89 -4.803 1.634 -11.062 742 HD22 LEU 89 2HD2 LEU 89 -4.233 2.799 -12.252 743 HD23 LEU 89 3HD2 LEU 89 -5.835 2.989 -11.535 744 H SER 90 H SER 90 -2.486 7.392 -10.730 745 HA SER 90 HA SER 90 -2.843 9.389 -12.778 746 HB2 SER 90 2HB SER 90 -4.964 9.661 -11.516 747 HB3 SER 90 1HB SER 90 -4.067 9.782 -10.004 748 HG SER 90 HG SER 90 -4.216 11.617 -12.144 749 H SER 91 H SER 91 -1.279 11.109 -12.478 750 HA SER 91 HA SER 91 1.168 10.184 -11.459 751 HB2 SER 91 2HB SER 91 0.421 12.988 -12.359 752 HB3 SER 91 1HB SER 91 2.074 12.422 -12.093 753 HG SER 91 HG SER 91 0.647 10.755 -13.715 754 H LEU 92 H LEU 92 1.766 9.998 -9.411 755 HA LEU 92 HA LEU 92 0.370 11.019 -7.198 756 HB2 LEU 92 2HB LEU 92 3.209 9.939 -7.299 757 HB3 LEU 92 1HB LEU 92 2.253 10.118 -5.834 758 HG LEU 92 HG LEU 92 1.566 8.252 -8.145 759 HD11 LEU 92 1HD1 LEU 92 3.563 7.505 -6.978 760 HD12 LEU 92 2HD1 LEU 92 2.206 6.442 -6.618 761 HD13 LEU 92 3HD1 LEU 92 2.737 7.626 -5.423 762 HD21 LEU 92 1HD2 LEU 92 0.254 8.554 -5.425 763 HD22 LEU 92 2HD2 LEU 92 -0.128 7.320 -6.629 764 HD23 LEU 92 3HD2 LEU 92 -0.445 9.016 -6.980 765 H ILE 93 H ILE 93 3.758 11.783 -7.988 766 HA ILE 93 HA ILE 93 3.493 14.489 -6.829 767 HB ILE 93 HB ILE 93 6.018 13.006 -7.775 768 HG12 ILE 93 2HG1 ILE 93 4.970 13.391 -4.925 769 HG13 ILE 93 1HG1 ILE 93 4.933 11.879 -5.819 770 HG21 ILE 93 1HG2 ILE 93 6.294 15.457 -7.816 771 HG22 ILE 93 2HG2 ILE 93 7.268 14.740 -6.535 772 HG23 ILE 93 3HG2 ILE 93 5.759 15.561 -6.134 773 HD11 ILE 93 1HD1 ILE 93 7.398 11.858 -5.851 774 HD12 ILE 93 2HD1 ILE 93 6.722 11.858 -4.222 775 HD13 ILE 93 3HD1 ILE 93 7.404 13.342 -4.889 776 H GLY 94 H GLY 94 4.031 12.751 -9.815 777 HA2 GLY 94 2HA GLY 94 3.324 14.177 -11.840 778 HA3 GLY 94 1HA GLY 94 4.686 15.192 -11.359 779 H GLN 95 H GLN 95 6.176 12.881 -10.386 780 HA GLN 95 HA GLN 95 7.166 11.695 -12.887 781 HB2 GLN 95 2HB GLN 95 8.376 11.624 -10.061 782 HB3 GLN 95 1HB GLN 95 9.138 11.040 -11.532 783 HG2 GLN 95 2HG GLN 95 10.216 13.064 -11.268 784 HG3 GLN 95 1HG GLN 95 8.902 13.533 -12.340 785 HE21 GLN 95 1HE2 GLN 95 10.404 15.271 -10.641 786 HE22 GLN 95 2HE2 GLN 95 9.305 15.982 -9.511 787 H SER 96 H SER 96 7.248 9.397 -13.085 788 HA SER 96 HA SER 96 5.181 7.938 -11.767 789 HB2 SER 96 2HB SER 96 6.015 6.019 -13.196 790 HB3 SER 96 1HB SER 96 5.624 7.479 -14.103 791 HG SER 96 HG SER 96 8.226 7.478 -13.304 792 H THR 97 H THR 97 5.717 7.987 -9.603 793 HA THR 97 HA THR 97 8.267 6.781 -8.697 794 HB THR 97 HB THR 97 7.752 9.214 -8.109 795 HG1 THR 97 HG1 THR 97 8.065 8.604 -5.664 796 HG21 THR 97 1HG2 THR 97 5.315 8.989 -7.651 797 HG22 THR 97 2HG2 THR 97 6.175 9.686 -6.275 798 HG23 THR 97 3HG2 THR 97 5.681 7.987 -6.242 799 H ARG 98 H ARG 98 5.218 5.698 -9.208 800 HA ARG 98 HA ARG 98 4.166 4.991 -6.704 801 HB2 ARG 98 2HB ARG 98 3.204 4.834 -9.260 802 HB3 ARG 98 1HB ARG 98 3.576 3.139 -9.022 803 HG2 ARG 98 2HG ARG 98 1.644 4.845 -7.420 804 HG3 ARG 98 1HG ARG 98 1.235 3.560 -8.553 805 HD2 ARG 98 2HD ARG 98 0.901 2.675 -6.353 806 HD3 ARG 98 1HD ARG 98 2.380 1.933 -6.957 807 HE ARG 98 HE ARG 98 3.491 2.867 -5.204 808 HH11 ARG 98 1HH1 ARG 98 0.538 4.765 -5.593 809 HH12 ARG 98 2HH1 ARG 98 0.871 5.758 -4.204 810 HH21 ARG 98 1HH2 ARG 98 3.911 4.249 -3.453 811 HH22 ARG 98 2HH2 ARG 98 2.747 5.466 -3.018 812 H GLN 99 H GLN 99 5.820 2.849 -9.054 813 HA GLN 99 HA GLN 99 5.927 0.632 -7.236 814 HB2 GLN 99 2HB GLN 99 5.709 0.364 -9.704 815 HB3 GLN 99 1HB GLN 99 7.308 1.051 -9.937 816 HG2 GLN 99 2HG GLN 99 7.186 -1.343 -8.153 817 HG3 GLN 99 1HG GLN 99 6.781 -1.626 -9.841 818 HE21 GLN 99 1HE2 GLN 99 8.589 -2.920 -10.109 819 HE22 GLN 99 2HE2 GLN 99 10.193 -2.289 -10.219 820 H LYS 100 H LYS 100 8.202 3.089 -8.386 821 HA LYS 100 HA LYS 100 10.593 1.940 -7.438 822 HB2 LYS 100 2HB LYS 100 10.490 3.737 -9.158 823 HB3 LYS 100 1HB LYS 100 9.984 4.888 -7.925 824 HG2 LYS 100 2HG LYS 100 12.134 4.600 -6.747 825 HG3 LYS 100 1HG LYS 100 12.642 3.400 -7.938 826 HD2 LYS 100 2HD LYS 100 12.059 6.335 -8.518 827 HD3 LYS 100 1HD LYS 100 13.662 5.614 -8.368 828 HE2 LYS 100 2HE LYS 100 13.202 4.183 -10.330 829 HE3 LYS 100 1HE LYS 100 11.598 4.907 -10.478 830 HZ1 LYS 100 1HZ LYS 100 13.167 5.914 -12.011 831 HZ2 LYS 100 2HZ LYS 100 14.182 6.355 -10.735 832 HZ3 LYS 100 3HZ LYS 100 12.649 7.054 -10.877 833 H SER 101 H SER 101 8.577 4.556 -6.034 834 HA SER 101 HA SER 101 10.208 4.821 -3.680 835 HB2 SER 101 2HB SER 101 9.011 6.759 -4.648 836 HB3 SER 101 1HB SER 101 7.459 6.008 -4.279 837 HG SER 101 HG SER 101 8.185 6.049 -2.017 838 H LEU 102 H LEU 102 7.230 3.007 -4.470 839 HA LEU 102 HA LEU 102 6.611 2.469 -1.700 840 HB2 LEU 102 2HB LEU 102 5.086 2.343 -3.887 841 HB3 LEU 102 1HB LEU 102 5.638 0.678 -3.933 842 HG LEU 102 HG LEU 102 4.706 0.322 -1.639 843 HD11 LEU 102 1HD1 LEU 102 3.754 3.196 -1.908 844 HD12 LEU 102 2HD1 LEU 102 4.908 2.553 -0.732 845 HD13 LEU 102 3HD1 LEU 102 3.220 2.060 -0.661 846 HD21 LEU 102 1HD2 LEU 102 2.332 0.329 -2.264 847 HD22 LEU 102 2HD2 LEU 102 3.325 -0.228 -3.608 848 HD23 LEU 102 3HD2 LEU 102 2.666 1.413 -3.618 849 H ASN 103 H ASN 103 8.453 0.816 -4.222 850 HA ASN 103 HA ASN 103 9.063 -1.541 -2.642 851 HB2 ASN 103 2HB ASN 103 8.953 -1.542 -5.172 852 HB3 ASN 103 1HB ASN 103 10.406 -0.546 -5.200 853 HD21 ASN 103 1HD2 ASN 103 9.668 -3.336 -3.094 854 HD22 ASN 103 2HD2 ASN 103 10.948 -4.324 -3.689 855 H ASN 104 H ASN 104 10.472 1.607 -3.207 856 HA ASN 104 HA ASN 104 13.043 1.221 -2.045 857 HB2 ASN 104 2HB ASN 104 12.501 3.186 -3.446 858 HB3 ASN 104 1HB ASN 104 11.310 3.727 -2.275 859 HD21 ASN 104 1HD2 ASN 104 14.694 3.633 -3.076 860 HD22 ASN 104 2HD2 ASN 104 15.222 4.656 -1.786 861 H ALA 105 H ALA 105 9.980 2.540 -0.781 862 HA ALA 105 HA ALA 105 10.628 2.864 1.904 863 HB1 ALA 105 1HB ALA 105 8.213 2.762 2.333 864 HB2 ALA 105 2HB ALA 105 7.945 2.080 0.724 865 HB3 ALA 105 3HB ALA 105 8.562 3.724 0.896 866 H TYR 106 H TYR 106 9.237 0.050 0.222 867 HA TYR 106 HA TYR 106 9.053 -1.801 2.304 868 HB2 TYR 106 2HB TYR 106 8.137 -2.017 -0.063 869 HB3 TYR 106 1HB TYR 106 9.756 -2.392 -0.624 870 HD1 TYR 106 HD1 TYR 106 10.882 -4.515 0.715 871 HD2 TYR 106 HD2 TYR 106 6.696 -3.823 0.326 872 HE1 TYR 106 HE1 TYR 106 10.458 -6.893 1.104 873 HE2 TYR 106 HE2 TYR 106 6.279 -6.195 0.733 874 HH TYR 106 HH TYR 106 8.673 -8.335 1.883 875 H GLY 107 H GLY 107 11.797 -0.998 0.172 876 HA2 GLY 107 2HA GLY 107 13.544 -3.097 0.864 877 HA3 GLY 107 1HA GLY 107 14.021 -1.558 0.164 878 H ARG 108 H ARG 108 13.503 0.287 2.049 879 HA ARG 108 HA ARG 108 15.544 -0.108 4.007 880 HB2 ARG 108 2HB ARG 108 13.477 2.057 3.552 881 HB3 ARG 108 1HB ARG 108 14.494 2.092 4.981 882 HG2 ARG 108 2HG ARG 108 15.477 3.567 3.417 883 HG3 ARG 108 1HG ARG 108 16.507 2.142 3.443 884 HD2 ARG 108 2HD ARG 108 14.385 2.607 1.331 885 HD3 ARG 108 1HD ARG 108 16.043 3.180 1.170 886 HE ARG 108 HE ARG 108 16.081 0.419 1.734 887 HH11 ARG 108 1HH1 ARG 108 15.223 2.580 -0.917 888 HH12 ARG 108 2HH1 ARG 108 15.545 1.393 -2.142 889 HH21 ARG 108 1HH2 ARG 108 16.490 -1.126 0.068 890 HH22 ARG 108 2HH2 ARG 108 16.252 -0.675 -1.592 891 H LEU 109 H LEU 109 12.064 -0.471 3.994 892 HA LEU 109 HA LEU 109 11.492 -0.481 6.739 893 HB2 LEU 109 2HB LEU 109 9.860 -0.411 4.710 894 HB3 LEU 109 1HB LEU 109 9.991 -2.156 4.709 895 HG LEU 109 HG LEU 109 9.308 -1.820 7.307 896 HD11 LEU 109 1HD1 LEU 109 7.942 0.540 5.983 897 HD12 LEU 109 2HD1 LEU 109 9.278 0.650 7.137 898 HD13 LEU 109 3HD1 LEU 109 7.736 -0.028 7.648 899 HD21 LEU 109 1HD2 LEU 109 8.106 -3.239 5.773 900 HD22 LEU 109 2HD2 LEU 109 7.342 -1.842 5.021 901 HD23 LEU 109 3HD2 LEU 109 6.971 -2.255 6.697 902 H SER 110 H SER 110 11.932 -3.198 4.507 903 HA SER 110 HA SER 110 12.057 -5.188 6.593 904 HB2 SER 110 2HB SER 110 12.679 -5.439 3.605 905 HB3 SER 110 1HB SER 110 12.332 -6.757 4.732 906 HG SER 110 HG SER 110 10.603 -4.852 3.626 907 H GLY 111 H GLY 111 14.296 -3.049 5.052 908 HA2 GLY 111 2HA GLY 111 16.644 -4.649 5.139 909 HA3 GLY 111 1HA GLY 111 16.564 -2.911 4.945 910 H MET 112 H MET 112 15.850 -1.750 7.265 911 HA MET 112 HA MET 112 18.033 -2.690 9.057 912 HB2 MET 112 2HB MET 112 17.645 -0.192 8.176 913 HB3 MET 112 1HB MET 112 16.565 -0.087 9.559 914 HG2 MET 112 2HG MET 112 19.531 -0.724 9.621 915 HG3 MET 112 1HG MET 112 18.756 0.764 10.147 916 HE1 MET 112 1HE MET 112 17.210 -0.176 13.574 917 HE2 MET 112 2HE MET 112 16.406 0.108 12.029 918 HE3 MET 112 3HE MET 112 17.753 1.136 12.527 919 H LEU 113 H LEU 113 14.830 -1.270 9.524 920 HA LEU 113 HA LEU 113 13.448 -3.092 10.987 921 HB2 LEU 113 2HB LEU 113 15.317 -2.869 12.725 922 HB3 LEU 113 1HB LEU 113 14.856 -1.200 12.956 923 HG LEU 113 HG LEU 113 14.073 -3.007 14.697 924 HD11 LEU 113 1HD1 LEU 113 13.294 -0.684 14.794 925 HD12 LEU 113 2HD1 LEU 113 12.034 -1.818 15.275 926 HD13 LEU 113 3HD1 LEU 113 11.981 -1.063 13.677 927 HD21 LEU 113 1HD2 LEU 113 11.939 -4.109 14.252 928 HD22 LEU 113 2HD2 LEU 113 13.159 -4.627 13.091 929 HD23 LEU 113 3HD2 LEU 113 11.924 -3.463 12.609 930 H LEU 114 H LEU 114 12.757 -1.674 9.139 931 HA LEU 114 HA LEU 114 11.101 -0.516 8.290 932 HB2 LEU 114 2HB LEU 114 10.124 -0.307 11.138 933 HB3 LEU 114 1HB LEU 114 9.188 0.183 9.734 934 HG LEU 114 HG LEU 114 9.683 -2.320 8.912 935 HD11 LEU 114 1HD1 LEU 114 11.153 -3.003 10.666 936 HD12 LEU 114 2HD1 LEU 114 9.669 -3.939 10.768 937 HD13 LEU 114 3HD1 LEU 114 9.954 -2.619 11.898 938 HD21 LEU 114 1HD2 LEU 114 7.568 -3.096 9.884 939 HD22 LEU 114 2HD2 LEU 114 7.440 -1.470 9.221 940 HD23 LEU 114 3HD2 LEU 114 7.550 -1.701 10.968 941 H VAL 115 H VAL 115 13.375 1.066 9.997 942 HA VAL 115 HA VAL 115 12.356 3.751 9.878 943 HB VAL 115 HB VAL 115 14.674 4.402 10.577 944 HG11 VAL 115 1HG1 VAL 115 13.489 2.127 12.226 945 HG12 VAL 115 2HG1 VAL 115 13.018 3.828 12.301 946 HG13 VAL 115 3HG1 VAL 115 14.634 3.342 12.808 947 HG21 VAL 115 1HG2 VAL 115 16.356 2.663 11.094 948 HG22 VAL 115 2HG2 VAL 115 15.966 2.696 9.377 949 HG23 VAL 115 3HG2 VAL 115 15.297 1.425 10.404 950 HA PRO 116 HA PRO 116 13.580 4.688 5.586 951 HB2 PRO 116 2HB PRO 116 14.008 7.505 6.540 952 HB3 PRO 116 1HB PRO 116 12.893 6.887 5.303 953 HG2 PRO 116 2HG PRO 116 11.986 7.740 7.667 954 HG3 PRO 116 1HG PRO 116 11.241 6.338 6.861 955 HD2 PRO 116 2HD PRO 116 13.231 6.378 9.137 956 HD3 PRO 116 1HD PRO 116 11.766 5.386 8.934 957 H ASP 117 H ASP 117 15.554 5.105 8.323 958 HA ASP 117 HA ASP 117 17.863 6.364 7.488 959 HB2 ASP 117 2HB ASP 117 17.332 5.822 9.832 960 HB3 ASP 117 1HB ASP 117 17.510 4.105 9.509 961 H ALA 118 H ALA 118 16.841 3.052 6.841 962 HA ALA 118 HA ALA 118 17.561 1.445 5.412 963 HB1 ALA 118 1HB ALA 118 19.881 3.267 4.646 964 HB2 ALA 118 2HB ALA 118 18.307 3.229 3.852 965 HB3 ALA 118 3HB ALA 118 19.355 1.815 3.786 966 HA PRO 119 HA PRO 119 20.413 -0.916 7.960 967 HB2 PRO 119 2HB PRO 119 21.181 -2.958 6.319 968 HB3 PRO 119 1HB PRO 119 19.513 -2.792 6.907 969 HG2 PRO 119 2HG PRO 119 20.658 -1.943 4.257 970 HG3 PRO 119 1HG PRO 119 19.174 -2.865 4.591 971 HD2 PRO 119 2HD PRO 119 19.105 -0.208 4.093 972 HD3 PRO 119 1HD PRO 119 17.978 -0.973 5.238 973 H GLY 120 H GLY 120 21.704 1.382 6.471 974 HA2 GLY 120 2HA GLY 120 24.303 0.604 5.582 975 HA3 GLY 120 1HA GLY 120 23.762 2.229 5.977 976 H ALA 121 H ALA 121 23.548 2.722 8.367 977 HA ALA 121 HA ALA 121 25.891 1.710 9.827 978 HB1 ALA 121 1HB ALA 121 25.641 4.149 9.630 979 HB2 ALA 121 2HB ALA 121 25.537 3.653 11.317 980 HB3 ALA 121 3HB ALA 121 24.070 4.076 10.430 981 H SER 122 H SER 122 24.942 -0.350 10.256 982 HA SER 122 HA SER 122 22.559 -0.662 11.851 983 HB2 SER 122 2HB SER 122 24.701 -2.685 11.066 984 HB3 SER 122 1HB SER 122 23.120 -3.069 11.754 985 HG SER 122 HG SER 122 23.077 -1.457 9.495 Start of MODEL 9 1 H1 MET 1 1H MET 1 1.375 3.738 21.944 2 H2 MET 1 2H MET 1 2.386 2.432 22.312 3 H3 MET 1 3H MET 1 0.882 2.161 21.599 4 HA MET 1 HA MET 1 3.094 3.653 20.342 5 HB2 MET 1 2HB MET 1 3.471 1.663 18.921 6 HB3 MET 1 1HB MET 1 3.696 1.257 20.613 7 HG2 MET 1 2HG MET 1 1.583 0.084 20.676 8 HG3 MET 1 1HG MET 1 1.165 0.656 19.060 9 HE1 MET 1 1HE MET 1 0.801 -2.362 19.516 10 HE2 MET 1 2HE MET 1 1.685 -3.061 18.159 11 HE3 MET 1 3HE MET 1 0.698 -1.623 17.910 12 H THR 2 H THR 2 0.882 5.018 20.381 13 HA THR 2 HA THR 2 -1.290 4.376 18.744 14 HB THR 2 HB THR 2 -1.741 6.869 18.707 15 HG1 THR 2 HG1 THR 2 0.085 7.665 20.474 16 HG21 THR 2 1HG2 THR 2 -1.022 5.711 21.432 17 HG22 THR 2 2HG2 THR 2 -2.573 5.539 20.607 18 HG23 THR 2 3HG2 THR 2 -2.043 7.128 21.160 19 H SER 3 H SER 3 1.811 5.873 17.919 20 HA SER 3 HA SER 3 1.286 6.645 15.257 21 HB2 SER 3 2HB SER 3 3.798 6.537 15.007 22 HB3 SER 3 1HB SER 3 3.273 7.446 16.424 23 HG SER 3 HG SER 3 5.006 5.602 16.479 24 H THR 4 H THR 4 2.510 3.576 16.637 25 HA THR 4 HA THR 4 2.881 2.202 14.176 26 HB THR 4 HB THR 4 2.451 0.982 16.942 27 HG1 THR 4 HG1 THR 4 4.961 0.927 16.489 28 HG21 THR 4 1HG2 THR 4 3.854 -0.148 14.484 29 HG22 THR 4 2HG2 THR 4 2.303 -0.701 15.122 30 HG23 THR 4 3HG2 THR 4 3.777 -0.919 16.068 31 H VAL 5 H VAL 5 0.144 2.424 16.429 32 HA VAL 5 HA VAL 5 -1.467 0.373 15.321 33 HB VAL 5 HB VAL 5 -2.317 2.862 16.883 34 HG11 VAL 5 1HG1 VAL 5 -3.914 0.324 16.324 35 HG12 VAL 5 2HG1 VAL 5 -4.237 1.920 15.643 36 HG13 VAL 5 3HG1 VAL 5 -4.422 1.650 17.377 37 HG21 VAL 5 1HG2 VAL 5 -1.801 0.019 17.854 38 HG22 VAL 5 2HG2 VAL 5 -2.364 1.363 18.851 39 HG23 VAL 5 3HG2 VAL 5 -0.753 1.412 18.133 40 H GLU 6 H GLU 6 -1.431 3.913 14.827 41 HA GLU 6 HA GLU 6 -3.293 4.074 12.737 42 HB2 GLU 6 2HB GLU 6 -0.882 5.810 13.407 43 HB3 GLU 6 1HB GLU 6 -2.018 6.216 12.123 44 HG2 GLU 6 2HG GLU 6 -2.728 5.907 15.057 45 HG3 GLU 6 1HG GLU 6 -2.466 7.440 14.227 46 H PHE 7 H PHE 7 0.198 3.442 12.715 47 HA PHE 7 HA PHE 7 0.708 3.664 9.974 48 HB2 PHE 7 2HB PHE 7 2.398 3.562 11.867 49 HB3 PHE 7 1HB PHE 7 2.133 1.827 11.947 50 HD1 PHE 7 HD1 PHE 7 2.981 4.459 9.395 51 HD2 PHE 7 HD2 PHE 7 3.711 0.488 10.827 52 HE1 PHE 7 HE1 PHE 7 4.771 4.183 7.737 53 HE2 PHE 7 HE2 PHE 7 5.489 0.224 9.155 54 HZ PHE 7 HZ PHE 7 6.020 2.067 7.618 55 H ILE 8 H ILE 8 0.055 0.675 11.899 56 HA ILE 8 HA ILE 8 0.033 -1.145 9.734 57 HB ILE 8 HB ILE 8 -1.520 -1.460 12.352 58 HG12 ILE 8 2HG1 ILE 8 1.337 -2.390 11.782 59 HG13 ILE 8 1HG1 ILE 8 0.921 -0.985 12.757 60 HG21 ILE 8 1HG2 ILE 8 -1.326 -3.896 11.926 61 HG22 ILE 8 2HG2 ILE 8 -0.502 -3.569 10.402 62 HG23 ILE 8 3HG2 ILE 8 -2.183 -3.082 10.614 63 HD11 ILE 8 1HD1 ILE 8 -0.270 -2.461 14.338 64 HD12 ILE 8 2HD1 ILE 8 1.443 -2.849 14.178 65 HD13 ILE 8 3HD1 ILE 8 0.239 -3.856 13.378 66 H ASN 9 H ASN 9 -2.573 0.646 11.390 67 HA ASN 9 HA ASN 9 -4.776 -0.547 10.083 68 HB2 ASN 9 2HB ASN 9 -4.948 0.713 12.227 69 HB3 ASN 9 1HB ASN 9 -4.598 2.209 11.374 70 HD21 ASN 9 1HD2 ASN 9 -6.741 -0.387 10.204 71 HD22 ASN 9 2HD2 ASN 9 -8.188 0.555 10.287 72 H ARG 10 H ARG 10 -2.739 2.173 9.237 73 HA ARG 10 HA ARG 10 -4.345 3.030 6.991 74 HB2 ARG 10 2HB ARG 10 -1.564 3.828 7.929 75 HB3 ARG 10 1HB ARG 10 -2.326 4.502 6.489 76 HG2 ARG 10 2HG ARG 10 -4.109 5.487 7.820 77 HG3 ARG 10 1HG ARG 10 -3.506 4.698 9.280 78 HD2 ARG 10 2HD ARG 10 -1.363 6.010 9.005 79 HD3 ARG 10 1HD ARG 10 -2.147 6.903 7.695 80 HE ARG 10 HE ARG 10 -3.896 7.206 9.731 81 HH11 ARG 10 1HH1 ARG 10 -0.423 7.766 9.573 82 HH12 ARG 10 2HH1 ARG 10 -0.451 9.019 10.772 83 HH21 ARG 10 1HH2 ARG 10 -3.898 8.794 11.355 84 HH22 ARG 10 2HH2 ARG 10 -2.422 9.598 11.780 85 H TRP 11 H TRP 11 -1.547 0.891 7.503 86 HA TRP 11 HA TRP 11 -1.214 0.413 4.672 87 HB2 TRP 11 2HB TRP 11 -0.055 -0.933 7.134 88 HB3 TRP 11 1HB TRP 11 0.132 -1.666 5.541 89 HD1 TRP 11 HD1 TRP 11 1.740 0.873 7.738 90 HE1 TRP 11 HE1 TRP 11 3.535 2.165 6.446 91 HE3 TRP 11 HE3 TRP 11 0.600 -0.618 2.963 92 HZ2 TRP 11 HZ2 TRP 11 4.375 2.536 3.803 93 HZ3 TRP 11 HZ3 TRP 11 1.955 0.272 1.100 94 HH2 TRP 11 HH2 TRP 11 3.807 1.820 1.518 95 H GLN 12 H GLN 12 -3.368 -0.845 7.132 96 HA GLN 12 HA GLN 12 -4.346 -3.094 5.649 97 HB2 GLN 12 2HB GLN 12 -5.859 -1.321 7.642 98 HB3 GLN 12 1HB GLN 12 -6.438 -2.859 7.003 99 HG2 GLN 12 2HG GLN 12 -4.505 -3.992 8.097 100 HG3 GLN 12 1HG GLN 12 -4.040 -2.445 8.804 101 HE21 GLN 12 1HE2 GLN 12 -6.408 -5.014 8.856 102 HE22 GLN 12 2HE2 GLN 12 -7.154 -4.560 10.346 103 H ARG 13 H ARG 13 -5.384 0.277 6.000 104 HA ARG 13 HA ARG 13 -7.393 0.588 4.157 105 HB2 ARG 13 2HB ARG 13 -6.729 2.376 5.644 106 HB3 ARG 13 1HB ARG 13 -5.104 2.393 5.003 107 HG2 ARG 13 2HG ARG 13 -6.119 4.357 4.210 108 HG3 ARG 13 1HG ARG 13 -6.068 3.264 2.827 109 HD2 ARG 13 2HD ARG 13 -8.434 2.757 3.085 110 HD3 ARG 13 1HD ARG 13 -8.503 3.698 4.586 111 HE ARG 13 HE ARG 13 -7.575 5.226 2.337 112 HH11 ARG 13 1HH1 ARG 13 -10.498 4.091 3.908 113 HH12 ARG 13 2HH1 ARG 13 -11.482 5.371 3.280 114 HH21 ARG 13 1HH2 ARG 13 -8.829 6.963 1.593 115 HH22 ARG 13 2HH2 ARG 13 -10.526 7.016 1.955 116 H ILE 14 H ILE 14 -3.886 0.855 3.514 117 HA ILE 14 HA ILE 14 -4.103 1.390 0.723 118 HB ILE 14 HB ILE 14 -1.703 0.439 2.363 119 HG12 ILE 14 2HG1 ILE 14 -2.355 3.289 1.475 120 HG13 ILE 14 1HG1 ILE 14 -2.755 2.655 3.064 121 HG21 ILE 14 1HG2 ILE 14 -1.689 1.776 -0.365 122 HG22 ILE 14 2HG2 ILE 14 -1.380 0.068 -0.073 123 HG23 ILE 14 3HG2 ILE 14 -0.275 1.281 0.569 124 HD11 ILE 14 1HD1 ILE 14 0.038 2.871 1.945 125 HD12 ILE 14 2HD1 ILE 14 -0.410 2.321 3.564 126 HD13 ILE 14 3HD1 ILE 14 -0.718 3.986 3.081 127 H ALA 15 H ALA 15 -3.261 -1.591 2.555 128 HA ALA 15 HA ALA 15 -2.644 -3.278 0.382 129 HB1 ALA 15 1HB ALA 15 -2.032 -3.789 2.714 130 HB2 ALA 15 2HB ALA 15 -2.915 -5.133 1.990 131 HB3 ALA 15 3HB ALA 15 -3.726 -4.044 3.123 132 H LEU 16 H LEU 16 -5.686 -2.851 2.163 133 HA LEU 16 HA LEU 16 -7.174 -4.829 0.767 134 HB2 LEU 16 2HB LEU 16 -8.088 -2.513 2.514 135 HB3 LEU 16 1HB LEU 16 -9.162 -3.770 1.916 136 HG LEU 16 HG LEU 16 -6.799 -4.249 3.785 137 HD11 LEU 16 1HD1 LEU 16 -8.552 -2.971 4.912 138 HD12 LEU 16 2HD1 LEU 16 -8.449 -4.606 5.557 139 HD13 LEU 16 3HD1 LEU 16 -9.758 -4.178 4.451 140 HD21 LEU 16 1HD2 LEU 16 -7.726 -6.511 4.067 141 HD22 LEU 16 2HD2 LEU 16 -7.266 -6.207 2.394 142 HD23 LEU 16 3HD2 LEU 16 -8.969 -6.164 2.863 143 H LEU 17 H LEU 17 -6.988 -1.230 0.463 144 HA LEU 17 HA LEU 17 -8.989 -1.081 -1.569 145 HB2 LEU 17 2HB LEU 17 -6.869 0.914 -0.714 146 HB3 LEU 17 1HB LEU 17 -7.984 1.250 -2.029 147 HG LEU 17 HG LEU 17 -8.712 0.822 0.899 148 HD11 LEU 17 1HD1 LEU 17 -7.760 3.026 0.405 149 HD12 LEU 17 2HD1 LEU 17 -9.466 3.149 0.821 150 HD13 LEU 17 3HD1 LEU 17 -8.960 3.279 -0.867 151 HD21 LEU 17 1HD2 LEU 17 -10.598 1.284 -1.443 152 HD22 LEU 17 2HD2 LEU 17 -11.048 1.266 0.265 153 HD23 LEU 17 3HD2 LEU 17 -10.449 -0.203 -0.499 154 H SER 18 H SER 18 -5.464 -1.564 -1.750 155 HA SER 18 HA SER 18 -5.245 -1.184 -4.575 156 HB2 SER 18 2HB SER 18 -3.072 -2.392 -4.384 157 HB3 SER 18 1HB SER 18 -3.232 -1.130 -3.169 158 HG SER 18 HG SER 18 -3.302 -2.586 -1.632 159 H GLN 19 H GLN 19 -5.734 -4.055 -2.504 160 HA GLN 19 HA GLN 19 -5.897 -5.988 -4.556 161 HB2 GLN 19 2HB GLN 19 -5.570 -6.504 -2.132 162 HB3 GLN 19 1HB GLN 19 -7.238 -6.039 -1.818 163 HG2 GLN 19 2HG GLN 19 -6.928 -8.501 -1.927 164 HG3 GLN 19 1HG GLN 19 -8.065 -7.909 -3.137 165 HE21 GLN 19 1HE2 GLN 19 -4.833 -9.196 -2.634 166 HE22 GLN 19 2HE2 GLN 19 -4.547 -9.642 -4.278 167 H SER 20 H SER 20 -8.341 -3.883 -3.098 168 HA SER 20 HA SER 20 -10.642 -4.921 -4.344 169 HB2 SER 20 2HB SER 20 -10.079 -2.062 -3.435 170 HB3 SER 20 1HB SER 20 -11.671 -2.704 -3.851 171 HG SER 20 HG SER 20 -10.199 -4.128 -1.972 172 H LEU 21 H LEU 21 -8.523 -2.171 -5.274 173 HA LEU 21 HA LEU 21 -9.820 -1.449 -7.640 174 HB2 LEU 21 2HB LEU 21 -6.883 -1.131 -6.895 175 HB3 LEU 21 1HB LEU 21 -7.611 -0.396 -8.314 176 HG LEU 21 HG LEU 21 -8.202 0.273 -5.409 177 HD11 LEU 21 1HD1 LEU 21 -6.126 1.242 -6.266 178 HD12 LEU 21 2HD1 LEU 21 -7.334 2.492 -5.983 179 HD13 LEU 21 3HD1 LEU 21 -6.995 1.952 -7.632 180 HD21 LEU 21 1HD2 LEU 21 -10.304 0.356 -6.628 181 HD22 LEU 21 2HD2 LEU 21 -9.570 1.361 -7.881 182 HD23 LEU 21 3HD2 LEU 21 -9.757 1.985 -6.241 183 H LEU 22 H LEU 22 -7.332 -3.920 -7.041 184 HA LEU 22 HA LEU 22 -6.722 -4.511 -9.748 185 HB2 LEU 22 2HB LEU 22 -5.237 -5.218 -7.933 186 HB3 LEU 22 1HB LEU 22 -6.490 -6.257 -7.271 187 HG LEU 22 HG LEU 22 -6.370 -7.720 -9.282 188 HD11 LEU 22 1HD1 LEU 22 -5.739 -6.084 -10.970 189 HD12 LEU 22 2HD1 LEU 22 -4.597 -7.425 -10.966 190 HD13 LEU 22 3HD1 LEU 22 -4.149 -5.883 -10.227 191 HD21 LEU 22 1HD2 LEU 22 -4.188 -8.730 -8.857 192 HD22 LEU 22 2HD2 LEU 22 -4.958 -8.250 -7.347 193 HD23 LEU 22 3HD2 LEU 22 -3.652 -7.272 -8.020 194 H GLU 23 H GLU 23 -8.828 -6.278 -7.422 195 HA GLU 23 HA GLU 23 -9.854 -8.205 -9.189 196 HB2 GLU 23 2HB GLU 23 -11.141 -6.982 -6.706 197 HB3 GLU 23 1HB GLU 23 -11.742 -8.427 -7.524 198 HG2 GLU 23 2HG GLU 23 -9.647 -9.609 -7.018 199 HG3 GLU 23 1HG GLU 23 -8.997 -8.155 -6.258 200 H LEU 24 H LEU 24 -11.205 -5.075 -8.216 201 HA LEU 24 HA LEU 24 -13.571 -5.119 -9.718 202 HB2 LEU 24 2HB LEU 24 -11.969 -2.754 -8.666 203 HB3 LEU 24 1HB LEU 24 -13.593 -2.624 -9.329 204 HG LEU 24 HG LEU 24 -12.855 -4.228 -6.848 205 HD11 LEU 24 1HD1 LEU 24 -14.246 -1.543 -7.011 206 HD12 LEU 24 2HD1 LEU 24 -12.588 -1.821 -6.472 207 HD13 LEU 24 3HD1 LEU 24 -13.934 -2.480 -5.546 208 HD21 LEU 24 1HD2 LEU 24 -15.580 -3.607 -8.030 209 HD22 LEU 24 2HD2 LEU 24 -15.284 -4.410 -6.485 210 HD23 LEU 24 3HD2 LEU 24 -14.784 -5.184 -7.985 211 H ALA 25 H ALA 25 -10.293 -4.025 -10.571 212 HA ALA 25 HA ALA 25 -10.852 -2.838 -13.070 213 HB1 ALA 25 1HB ALA 25 -8.490 -3.247 -13.615 214 HB2 ALA 25 2HB ALA 25 -8.357 -4.372 -12.258 215 HB3 ALA 25 3HB ALA 25 -8.650 -2.657 -11.959 216 H GLN 26 H GLN 26 -9.993 -6.177 -12.203 217 HA GLN 26 HA GLN 26 -10.205 -7.288 -14.823 218 HB2 GLN 26 2HB GLN 26 -10.466 -8.724 -12.146 219 HB3 GLN 26 1HB GLN 26 -10.074 -9.467 -13.699 220 HG2 GLN 26 2HG GLN 26 -7.945 -8.247 -13.775 221 HG3 GLN 26 1HG GLN 26 -8.336 -7.427 -12.263 222 HE21 GLN 26 1HE2 GLN 26 -6.038 -9.081 -12.823 223 HE22 GLN 26 2HE2 GLN 26 -6.086 -10.391 -11.700 224 H ARG 27 H ARG 27 -12.572 -6.516 -12.407 225 HA ARG 27 HA ARG 27 -14.722 -8.143 -13.514 226 HB2 ARG 27 2HB ARG 27 -14.709 -6.014 -11.327 227 HB3 ARG 27 1HB ARG 27 -16.105 -7.003 -11.746 228 HG2 ARG 27 2HG ARG 27 -14.983 -9.022 -11.004 229 HG3 ARG 27 1HG ARG 27 -13.474 -8.146 -10.762 230 HD2 ARG 27 2HD ARG 27 -14.712 -6.740 -9.025 231 HD3 ARG 27 1HD ARG 27 -16.033 -7.908 -9.159 232 HE ARG 27 HE ARG 27 -13.411 -9.029 -8.587 233 HH11 ARG 27 1HH1 ARG 27 -16.437 -7.881 -7.185 234 HH12 ARG 27 2HH1 ARG 27 -16.203 -8.729 -5.689 235 HH21 ARG 27 1HH2 ARG 27 -13.096 -10.104 -6.612 236 HH22 ARG 27 2HH2 ARG 27 -14.303 -9.989 -5.369 237 H GLY 28 H GLY 28 -13.311 -5.236 -14.442 238 HA2 GLY 28 2HA GLY 28 -13.909 -3.767 -16.126 239 HA3 GLY 28 1HA GLY 28 -15.498 -4.509 -16.212 240 H GLU 29 H GLU 29 -14.727 -3.670 -13.060 241 HA GLU 29 HA GLU 29 -16.630 -1.496 -12.951 242 HB2 GLU 29 2HB GLU 29 -14.956 -2.839 -10.785 243 HB3 GLU 29 1HB GLU 29 -16.208 -1.643 -10.482 244 HG2 GLU 29 2HG GLU 29 -16.679 -4.350 -11.763 245 HG3 GLU 29 1HG GLU 29 -16.934 -3.983 -10.056 246 H TRP 30 H TRP 30 -14.954 -0.316 -14.479 247 HA TRP 30 HA TRP 30 -12.559 0.764 -13.401 248 HB2 TRP 30 2HB TRP 30 -14.168 2.009 -15.671 249 HB3 TRP 30 1HB TRP 30 -12.438 2.164 -15.373 250 HD1 TRP 30 HD1 TRP 30 -14.752 0.337 -17.527 251 HE1 TRP 30 HE1 TRP 30 -13.660 -1.722 -18.578 252 HE3 TRP 30 HE3 TRP 30 -10.549 0.040 -14.596 253 HZ2 TRP 30 HZ2 TRP 30 -11.354 -3.278 -18.236 254 HZ3 TRP 30 HZ3 TRP 30 -8.952 -1.778 -15.042 255 HH2 TRP 30 HH2 TRP 30 -9.354 -3.399 -16.823 256 H ASP 31 H ASP 31 -15.905 1.794 -13.311 257 HA ASP 31 HA ASP 31 -15.611 4.480 -12.510 258 HB2 ASP 31 2HB ASP 31 -17.844 2.562 -11.710 259 HB3 ASP 31 1HB ASP 31 -17.925 4.318 -11.667 260 H LEU 32 H LEU 32 -15.940 1.467 -10.612 261 HA LEU 32 HA LEU 32 -15.690 2.593 -8.040 262 HB2 LEU 32 2HB LEU 32 -15.154 -0.211 -9.073 263 HB3 LEU 32 1HB LEU 32 -14.959 0.202 -7.377 264 HG LEU 32 HG LEU 32 -17.568 0.357 -8.951 265 HD11 LEU 32 1HD1 LEU 32 -16.713 -1.561 -6.760 266 HD12 LEU 32 2HD1 LEU 32 -16.909 -1.947 -8.472 267 HD13 LEU 32 3HD1 LEU 32 -18.313 -1.488 -7.511 268 HD21 LEU 32 1HD2 LEU 32 -17.473 2.129 -7.258 269 HD22 LEU 32 2HD2 LEU 32 -17.057 0.948 -6.012 270 HD23 LEU 32 3HD2 LEU 32 -18.638 0.890 -6.798 271 H LEU 33 H LEU 33 -13.242 1.668 -10.425 272 HA LEU 33 HA LEU 33 -10.993 2.041 -8.719 273 HB2 LEU 33 2HB LEU 33 -11.294 1.910 -11.713 274 HB3 LEU 33 1HB LEU 33 -9.809 2.573 -11.056 275 HG LEU 33 HG LEU 33 -9.517 0.416 -9.742 276 HD11 LEU 33 1HD1 LEU 33 -11.804 -0.391 -9.772 277 HD12 LEU 33 2HD1 LEU 33 -10.710 -1.582 -10.470 278 HD13 LEU 33 3HD1 LEU 33 -11.734 -0.600 -11.524 279 HD21 LEU 33 1HD2 LEU 33 -8.219 0.871 -11.762 280 HD22 LEU 33 2HD2 LEU 33 -9.497 0.172 -12.765 281 HD23 LEU 33 3HD2 LEU 33 -8.604 -0.845 -11.628 282 H LEU 34 H LEU 34 -12.826 4.249 -10.819 283 HA LEU 34 HA LEU 34 -11.106 6.493 -10.634 284 HB2 LEU 34 2HB LEU 34 -14.108 6.399 -11.134 285 HB3 LEU 34 1HB LEU 34 -13.091 7.805 -11.420 286 HG LEU 34 HG LEU 34 -12.819 5.147 -12.875 287 HD11 LEU 34 1HD1 LEU 34 -14.913 6.242 -13.471 288 HD12 LEU 34 2HD1 LEU 34 -13.783 6.237 -14.821 289 HD13 LEU 34 3HD1 LEU 34 -14.040 7.719 -13.893 290 HD21 LEU 34 1HD2 LEU 34 -11.432 7.788 -13.424 291 HD22 LEU 34 2HD2 LEU 34 -11.302 6.318 -14.393 292 HD23 LEU 34 3HD2 LEU 34 -10.684 6.338 -12.746 293 H GLN 35 H GLN 35 -13.963 5.560 -8.711 294 HA GLN 35 HA GLN 35 -14.024 7.824 -6.998 295 HB2 GLN 35 2HB GLN 35 -15.229 5.045 -6.842 296 HB3 GLN 35 1HB GLN 35 -15.296 6.087 -5.428 297 HG2 GLN 35 2HG GLN 35 -17.370 6.339 -6.553 298 HG3 GLN 35 1HG GLN 35 -16.463 7.818 -6.844 299 HE21 GLN 35 1HE2 GLN 35 -15.618 8.174 -8.974 300 HE22 GLN 35 2HE2 GLN 35 -16.287 7.359 -10.340 301 H GLN 36 H GLN 36 -12.793 4.507 -6.430 302 HA GLN 36 HA GLN 36 -11.674 5.167 -3.870 303 HB2 GLN 36 2HB GLN 36 -11.523 2.641 -5.552 304 HB3 GLN 36 1HB GLN 36 -10.748 2.789 -3.977 305 HG2 GLN 36 2HG GLN 36 -13.724 3.039 -4.516 306 HG3 GLN 36 1HG GLN 36 -12.913 1.638 -3.819 307 HE21 GLN 36 1HE2 GLN 36 -15.050 3.276 -2.678 308 HE22 GLN 36 2HE2 GLN 36 -14.453 3.876 -1.173 309 H GLU 37 H GLU 37 -10.468 5.545 -7.035 310 HA GLU 37 HA GLU 37 -7.706 5.309 -6.837 311 HB2 GLU 37 2HB GLU 37 -8.829 5.938 -8.928 312 HB3 GLU 37 1HB GLU 37 -9.364 7.458 -8.225 313 HG2 GLU 37 2HG GLU 37 -6.929 8.131 -8.042 314 HG3 GLU 37 1HG GLU 37 -6.524 6.668 -8.951 315 H VAL 38 H VAL 38 -9.707 8.162 -6.090 316 HA VAL 38 HA VAL 38 -7.674 9.837 -5.115 317 HB VAL 38 HB VAL 38 -10.644 9.878 -4.366 318 HG11 VAL 38 1HG1 VAL 38 -9.315 11.234 -2.805 319 HG12 VAL 38 2HG1 VAL 38 -10.273 12.286 -3.849 320 HG13 VAL 38 3HG1 VAL 38 -8.545 12.076 -4.151 321 HG21 VAL 38 1HG2 VAL 38 -9.206 11.375 -6.592 322 HG22 VAL 38 2HG2 VAL 38 -10.912 11.534 -6.173 323 HG23 VAL 38 3HG2 VAL 38 -10.299 10.009 -6.815 324 H SER 39 H SER 39 -9.941 7.685 -3.408 325 HA SER 39 HA SER 39 -9.268 8.185 -0.763 326 HB2 SER 39 2HB SER 39 -10.117 5.498 -1.946 327 HB3 SER 39 1HB SER 39 -10.330 6.026 -0.270 328 HG SER 39 HG SER 39 -12.187 6.243 -1.751 329 H TYR 40 H TYR 40 -8.036 5.604 -2.860 330 HA TYR 40 HA TYR 40 -6.331 4.350 -1.014 331 HB2 TYR 40 2HB TYR 40 -7.197 3.081 -2.872 332 HB3 TYR 40 1HB TYR 40 -6.575 4.231 -4.047 333 HD1 TYR 40 HD1 TYR 40 -5.113 2.187 -1.235 334 HD2 TYR 40 HD2 TYR 40 -4.813 3.364 -5.326 335 HE1 TYR 40 HE1 TYR 40 -3.098 0.841 -1.487 336 HE2 TYR 40 HE2 TYR 40 -2.779 2.010 -5.566 337 HH TYR 40 HH TYR 40 -1.012 1.069 -4.129 338 H LEU 41 H LEU 41 -5.624 6.566 -3.726 339 HA LEU 41 HA LEU 41 -2.791 6.389 -3.393 340 HB2 LEU 41 2HB LEU 41 -4.488 8.258 -5.077 341 HB3 LEU 41 1HB LEU 41 -2.732 8.164 -5.168 342 HG LEU 41 HG LEU 41 -4.670 5.904 -5.831 343 HD11 LEU 41 1HD1 LEU 41 -4.664 7.660 -7.520 344 HD12 LEU 41 2HD1 LEU 41 -3.941 6.176 -8.129 345 HD13 LEU 41 3HD1 LEU 41 -2.909 7.534 -7.671 346 HD21 LEU 41 1HD2 LEU 41 -2.601 4.990 -4.880 347 HD22 LEU 41 2HD2 LEU 41 -1.639 5.913 -6.035 348 HD23 LEU 41 3HD2 LEU 41 -2.713 4.634 -6.603 349 H GLN 42 H GLN 42 -5.223 8.853 -2.501 350 HA GLN 42 HA GLN 42 -3.465 10.763 -1.408 351 HB2 GLN 42 2HB GLN 42 -5.866 11.206 -1.799 352 HB3 GLN 42 1HB GLN 42 -6.301 10.057 -0.541 353 HG2 GLN 42 2HG GLN 42 -5.230 11.515 1.145 354 HG3 GLN 42 1HG GLN 42 -4.808 12.662 -0.123 355 HE21 GLN 42 1HE2 GLN 42 -7.434 11.278 1.715 356 HE22 GLN 42 2HE2 GLN 42 -8.602 12.491 1.345 357 H SER 43 H SER 43 -5.007 7.871 0.054 358 HA SER 43 HA SER 43 -4.036 8.086 2.670 359 HB2 SER 43 2HB SER 43 -4.620 5.567 1.060 360 HB3 SER 43 1HB SER 43 -4.348 5.596 2.806 361 HG SER 43 HG SER 43 -6.280 7.269 1.664 362 H ILE 44 H ILE 44 -2.538 6.316 -0.091 363 HA ILE 44 HA ILE 44 -0.441 5.210 1.440 364 HB ILE 44 HB ILE 44 -1.211 4.205 -0.694 365 HG12 ILE 44 2HG1 ILE 44 1.779 4.826 -0.724 366 HG13 ILE 44 1HG1 ILE 44 1.010 3.568 0.241 367 HG21 ILE 44 1HG2 ILE 44 0.259 6.446 -2.117 368 HG22 ILE 44 2HG2 ILE 44 -1.487 6.226 -2.058 369 HG23 ILE 44 3HG2 ILE 44 -0.485 5.036 -2.883 370 HD11 ILE 44 1HD1 ILE 44 1.137 3.676 -2.776 371 HD12 ILE 44 2HD1 ILE 44 0.292 2.446 -1.831 372 HD13 ILE 44 3HD1 ILE 44 2.040 2.606 -1.705 373 H GLU 45 H GLU 45 -0.568 8.100 -0.639 374 HA GLU 45 HA GLU 45 2.083 8.981 -0.387 375 HB2 GLU 45 2HB GLU 45 -0.492 10.586 -0.657 376 HB3 GLU 45 1HB GLU 45 1.120 11.276 -0.842 377 HG2 GLU 45 2HG GLU 45 0.029 9.027 -2.561 378 HG3 GLU 45 1HG GLU 45 -0.073 10.730 -2.992 379 H THR 46 H THR 46 -0.790 9.740 1.606 380 HA THR 46 HA THR 46 0.380 11.497 3.433 381 HB THR 46 HB THR 46 -2.042 9.684 3.805 382 HG1 THR 46 HG1 THR 46 -1.870 11.460 2.096 383 HG21 THR 46 1HG2 THR 46 -1.259 12.153 5.418 384 HG22 THR 46 2HG2 THR 46 -1.267 10.493 6.020 385 HG23 THR 46 3HG2 THR 46 -2.781 11.275 5.558 386 H VAL 47 H VAL 47 0.242 7.946 3.524 387 HA VAL 47 HA VAL 47 1.232 7.631 6.189 388 HB VAL 47 HB VAL 47 1.341 5.659 3.850 389 HG11 VAL 47 1HG1 VAL 47 1.628 3.886 5.565 390 HG12 VAL 47 2HG1 VAL 47 1.725 5.118 6.826 391 HG13 VAL 47 3HG1 VAL 47 2.980 5.024 5.589 392 HG21 VAL 47 1HG2 VAL 47 -0.950 6.341 4.415 393 HG22 VAL 47 2HG2 VAL 47 -0.677 5.930 6.107 394 HG23 VAL 47 3HG2 VAL 47 -0.677 4.662 4.880 395 H MET 48 H MET 48 2.778 7.651 2.964 396 HA MET 48 HA MET 48 5.437 7.181 3.991 397 HB2 MET 48 2HB MET 48 4.497 8.061 1.241 398 HB3 MET 48 1HB MET 48 6.157 7.619 1.629 399 HG2 MET 48 2HG MET 48 5.432 5.342 2.198 400 HG3 MET 48 1HG MET 48 3.758 5.779 1.839 401 HE1 MET 48 1HE MET 48 3.935 6.493 -2.011 402 HE2 MET 48 2HE MET 48 4.192 7.688 -0.749 403 HE3 MET 48 3HE MET 48 2.910 6.488 -0.583 404 H GLU 49 H GLU 49 3.552 10.074 3.662 405 HA GLU 49 HA GLU 49 5.684 11.986 3.550 406 HB2 GLU 49 2HB GLU 49 2.872 12.241 4.693 407 HB3 GLU 49 1HB GLU 49 3.989 13.592 4.509 408 HG2 GLU 49 2HG GLU 49 3.964 13.291 2.070 409 HG3 GLU 49 1HG GLU 49 2.860 11.929 2.241 410 H LYS 50 H LYS 50 4.151 10.190 6.133 411 HA LYS 50 HA LYS 50 5.341 11.803 8.273 412 HB2 LYS 50 2HB LYS 50 3.217 9.629 8.206 413 HB3 LYS 50 1HB LYS 50 3.984 10.077 9.724 414 HG2 LYS 50 2HG LYS 50 1.836 11.223 9.447 415 HG3 LYS 50 1HG LYS 50 3.170 12.377 9.512 416 HD2 LYS 50 2HD LYS 50 3.076 12.664 7.077 417 HD3 LYS 50 1HD LYS 50 1.831 11.427 6.955 418 HE2 LYS 50 2HE LYS 50 0.306 12.874 8.282 419 HE3 LYS 50 1HE LYS 50 1.555 14.123 8.310 420 HZ1 LYS 50 1HZ LYS 50 0.312 13.012 5.850 421 HZ2 LYS 50 2HZ LYS 50 1.450 14.256 5.914 422 HZ3 LYS 50 3HZ LYS 50 -0.091 14.490 6.564 423 H GLN 51 H GLN 51 6.268 10.581 10.156 424 HA GLN 51 HA GLN 51 8.540 9.073 9.292 425 HB2 GLN 51 2HB GLN 51 9.194 9.037 11.662 426 HB3 GLN 51 1HB GLN 51 8.684 10.654 11.191 427 HG2 GLN 51 2HG GLN 51 6.508 10.304 12.302 428 HG3 GLN 51 1HG GLN 51 6.993 8.670 12.747 429 HE21 GLN 51 1HE2 GLN 51 8.538 8.387 14.403 430 HE22 GLN 51 2HE2 GLN 51 8.955 9.662 15.494 431 H THR 52 H THR 52 9.017 6.914 9.633 432 HA THR 52 HA THR 52 6.875 5.050 10.196 433 HB THR 52 HB THR 52 9.838 4.507 9.693 434 HG1 THR 52 HG1 THR 52 9.392 4.628 7.615 435 HG21 THR 52 1HG2 THR 52 7.444 2.645 9.469 436 HG22 THR 52 2HG2 THR 52 8.612 2.631 10.789 437 HG23 THR 52 3HG2 THR 52 9.129 2.231 9.155 438 HA PRO 53 HA PRO 53 7.677 5.325 14.662 439 HB2 PRO 53 2HB PRO 53 6.371 2.955 15.405 440 HB3 PRO 53 1HB PRO 53 5.553 4.501 15.099 441 HG2 PRO 53 2HG PRO 53 5.933 2.174 13.229 442 HG3 PRO 53 1HG PRO 53 4.471 3.141 13.538 443 HD2 PRO 53 2HD PRO 53 5.933 3.613 11.364 444 HD3 PRO 53 1HD PRO 53 5.261 4.978 12.291 445 HA PRO 54 HA PRO 54 11.234 2.620 15.454 446 HB2 PRO 54 2HB PRO 54 10.573 2.756 18.372 447 HB3 PRO 54 1HB PRO 54 12.022 3.329 17.520 448 HG2 PRO 54 2HG PRO 54 10.238 5.065 18.504 449 HG3 PRO 54 1HG PRO 54 11.062 5.371 16.956 450 HD2 PRO 54 2HD PRO 54 8.272 4.300 17.419 451 HD3 PRO 54 1HD PRO 54 8.824 5.557 16.282 452 H GLY 55 H GLY 55 8.344 1.930 17.449 453 HA2 GLY 55 2HA GLY 55 9.005 -0.816 17.964 454 HA3 GLY 55 1HA GLY 55 7.506 0.002 18.362 455 H ILE 56 H ILE 56 9.281 -1.465 15.672 456 HA ILE 56 HA ILE 56 6.751 -2.056 14.255 457 HB ILE 56 HB ILE 56 9.574 -2.229 13.109 458 HG12 ILE 56 2HG1 ILE 56 7.595 0.069 12.856 459 HG13 ILE 56 1HG1 ILE 56 9.112 0.109 13.752 460 HG21 ILE 56 1HG2 ILE 56 8.468 -2.227 10.902 461 HG22 ILE 56 2HG2 ILE 56 6.886 -2.127 11.678 462 HG23 ILE 56 3HG2 ILE 56 7.880 -3.568 11.886 463 HD11 ILE 56 1HD1 ILE 56 9.405 1.224 11.672 464 HD12 ILE 56 2HD1 ILE 56 8.771 -0.151 10.772 465 HD13 ILE 56 3HD1 ILE 56 10.316 -0.283 11.617 466 H THR 57 H THR 57 9.073 -3.531 16.232 467 HA THR 57 HA THR 57 10.069 -5.594 16.457 468 HB THR 57 HB THR 57 8.373 -7.352 16.998 469 HG1 THR 57 HG1 THR 57 6.526 -5.459 15.927 470 HG21 THR 57 1HG2 THR 57 7.197 -6.104 18.765 471 HG22 THR 57 2HG2 THR 57 7.608 -4.576 17.985 472 HG23 THR 57 3HG2 THR 57 8.883 -5.591 18.667 473 H ARG 58 H ARG 58 9.892 -8.138 15.709 474 HA ARG 58 HA ARG 58 10.333 -8.205 12.857 475 HB2 ARG 58 2HB ARG 58 11.451 -9.768 14.578 476 HB3 ARG 58 1HB ARG 58 9.931 -10.651 14.629 477 HG2 ARG 58 2HG ARG 58 11.534 -11.753 13.121 478 HG3 ARG 58 1HG ARG 58 10.136 -11.163 12.213 479 HD2 ARG 58 2HD ARG 58 11.415 -9.218 11.443 480 HD3 ARG 58 1HD ARG 58 12.792 -9.695 12.432 481 HE ARG 58 HE ARG 58 13.084 -11.624 10.968 482 HH11 ARG 58 1HH1 ARG 58 11.053 -9.044 9.684 483 HH12 ARG 58 2HH1 ARG 58 11.314 -9.492 8.031 484 HH21 ARG 58 1HH2 ARG 58 13.477 -12.160 8.803 485 HH22 ARG 58 2HH2 ARG 58 12.700 -11.272 7.529 486 H SER 59 H SER 59 7.741 -8.985 15.079 487 HA SER 59 HA SER 59 5.997 -10.397 13.402 488 HB2 SER 59 2HB SER 59 5.367 -8.689 15.842 489 HB3 SER 59 1HB SER 59 4.308 -9.927 15.153 490 HG SER 59 HG SER 59 6.598 -11.126 15.518 491 H ILE 60 H ILE 60 5.953 -6.898 14.327 492 HA ILE 60 HA ILE 60 3.713 -6.358 12.568 493 HB ILE 60 HB ILE 60 5.498 -4.438 14.099 494 HG12 ILE 60 2HG1 ILE 60 2.677 -5.245 14.858 495 HG13 ILE 60 1HG1 ILE 60 4.117 -6.017 15.519 496 HG21 ILE 60 1HG2 ILE 60 3.790 -2.703 13.750 497 HG22 ILE 60 2HG2 ILE 60 2.922 -3.807 12.681 498 HG23 ILE 60 3HG2 ILE 60 4.532 -3.243 12.239 499 HD11 ILE 60 1HD1 ILE 60 4.855 -3.846 16.434 500 HD12 ILE 60 2HD1 ILE 60 3.278 -4.360 17.054 501 HD13 ILE 60 3HD1 ILE 60 3.365 -3.108 15.816 502 H GLN 61 H GLN 61 7.315 -6.119 12.378 503 HA GLN 61 HA GLN 61 7.560 -4.684 9.986 504 HB2 GLN 61 2HB GLN 61 9.469 -5.470 11.358 505 HB3 GLN 61 1HB GLN 61 9.176 -7.120 10.827 506 HG2 GLN 61 2HG GLN 61 9.698 -6.409 8.488 507 HG3 GLN 61 1HG GLN 61 10.065 -4.790 9.095 508 HE21 GLN 61 1HE2 GLN 61 12.229 -4.893 8.479 509 HE22 GLN 61 2HE2 GLN 61 13.387 -5.905 9.252 510 H ASP 62 H ASP 62 6.943 -8.177 10.430 511 HA ASP 62 HA ASP 62 6.832 -8.841 7.674 512 HB2 ASP 62 2HB ASP 62 5.677 -10.242 10.112 513 HB3 ASP 62 1HB ASP 62 5.587 -10.925 8.491 514 H MET 63 H MET 63 4.285 -7.917 10.026 515 HA MET 63 HA MET 63 2.070 -8.384 8.324 516 HB2 MET 63 2HB MET 63 2.300 -6.497 10.701 517 HB3 MET 63 1HB MET 63 0.789 -6.873 9.882 518 HG2 MET 63 2HG MET 63 1.299 -9.332 10.424 519 HG3 MET 63 1HG MET 63 2.514 -8.710 11.541 520 HE1 MET 63 1HE MET 63 1.874 -7.079 13.632 521 HE2 MET 63 2HE MET 63 0.216 -6.638 14.034 522 HE3 MET 63 3HE MET 63 0.972 -5.983 12.582 523 H VAL 64 H VAL 64 3.641 -5.252 9.103 524 HA VAL 64 HA VAL 64 2.310 -3.646 7.248 525 HB VAL 64 HB VAL 64 5.110 -3.317 8.426 526 HG11 VAL 64 1HG1 VAL 64 3.472 -1.269 6.877 527 HG12 VAL 64 2HG1 VAL 64 4.975 -2.019 6.337 528 HG13 VAL 64 3HG1 VAL 64 4.983 -0.936 7.728 529 HG21 VAL 64 1HG2 VAL 64 3.293 -3.286 10.097 530 HG22 VAL 64 2HG2 VAL 64 2.455 -2.029 9.186 531 HG23 VAL 64 3HG2 VAL 64 4.015 -1.681 9.940 532 H ALA 65 H ALA 65 5.528 -5.280 6.856 533 HA ALA 65 HA ALA 65 5.937 -4.438 4.175 534 HB1 ALA 65 1HB ALA 65 7.724 -6.111 4.040 535 HB2 ALA 65 2HB ALA 65 7.145 -6.877 5.528 536 HB3 ALA 65 3HB ALA 65 7.804 -5.242 5.575 537 H GLY 66 H GLY 66 4.141 -7.110 5.543 538 HA2 GLY 66 2HA GLY 66 3.743 -8.651 3.174 539 HA3 GLY 66 1HA GLY 66 2.732 -8.666 4.612 540 H TYR 67 H TYR 67 1.957 -6.012 4.717 541 HA TYR 67 HA TYR 67 -0.153 -5.826 2.828 542 HB2 TYR 67 2HB TYR 67 0.960 -3.843 4.849 543 HB3 TYR 67 1HB TYR 67 -0.448 -3.492 3.846 544 HD1 TYR 67 HD1 TYR 67 -1.068 -6.808 4.287 545 HD2 TYR 67 HD2 TYR 67 -0.762 -3.284 6.687 546 HE1 TYR 67 HE1 TYR 67 -2.582 -7.802 5.942 547 HE2 TYR 67 HE2 TYR 67 -2.273 -4.276 8.317 548 HH TYR 67 HH TYR 67 -3.058 -7.528 8.406 549 H ILE 68 H ILE 68 2.994 -4.164 3.107 550 HA ILE 68 HA ILE 68 2.793 -2.472 0.865 551 HB ILE 68 HB ILE 68 5.375 -3.765 1.905 552 HG12 ILE 68 2HG1 ILE 68 4.100 -1.105 2.714 553 HG13 ILE 68 1HG1 ILE 68 4.228 -2.533 3.726 554 HG21 ILE 68 1HG2 ILE 68 4.992 -1.238 0.234 555 HG22 ILE 68 2HG2 ILE 68 5.627 -2.777 -0.352 556 HG23 ILE 68 3HG2 ILE 68 6.537 -1.848 0.839 557 HD11 ILE 68 1HD1 ILE 68 6.517 -0.848 2.725 558 HD12 ILE 68 2HD1 ILE 68 6.677 -2.319 3.687 559 HD13 ILE 68 3HD1 ILE 68 5.874 -0.906 4.368 560 H LYS 69 H LYS 69 3.809 -5.858 1.234 561 HA LYS 69 HA LYS 69 4.770 -6.366 -1.351 562 HB2 LYS 69 2HB LYS 69 5.046 -7.903 0.636 563 HB3 LYS 69 1HB LYS 69 3.351 -8.328 0.502 564 HG2 LYS 69 2HG LYS 69 4.463 -10.128 -0.499 565 HG3 LYS 69 1HG LYS 69 3.908 -9.173 -1.872 566 HD2 LYS 69 2HD LYS 69 6.723 -8.902 -0.754 567 HD3 LYS 69 1HD LYS 69 6.307 -10.135 -1.939 568 HE2 LYS 69 2HE LYS 69 6.018 -7.142 -2.366 569 HE3 LYS 69 1HE LYS 69 7.330 -8.145 -2.980 570 HZ1 LYS 69 1HZ LYS 69 5.698 -7.772 -4.684 571 HZ2 LYS 69 2HZ LYS 69 4.459 -8.396 -3.713 572 HZ3 LYS 69 3HZ LYS 69 5.697 -9.407 -4.259 573 H GLN 70 H GLN 70 1.517 -6.675 0.048 574 HA GLN 70 HA GLN 70 0.099 -7.559 -2.196 575 HB2 GLN 70 2HB GLN 70 -0.904 -5.718 0.020 576 HB3 GLN 70 1HB GLN 70 -1.925 -6.603 -1.115 577 HG2 GLN 70 2HG GLN 70 -1.126 -8.735 -0.208 578 HG3 GLN 70 1HG GLN 70 -0.043 -7.881 0.891 579 HE21 GLN 70 1HE2 GLN 70 -0.979 -8.679 2.774 580 HE22 GLN 70 2HE2 GLN 70 -2.571 -8.247 3.290 581 H THR 71 H THR 71 0.862 -4.193 -1.160 582 HA THR 71 HA THR 71 -0.643 -2.843 -3.139 583 HB THR 71 HB THR 71 0.535 -0.830 -2.600 584 HG1 THR 71 HG1 THR 71 2.672 -1.471 -2.923 585 HG21 THR 71 1HG2 THR 71 0.721 -0.784 -0.178 586 HG22 THR 71 2HG2 THR 71 0.825 -2.542 -0.131 587 HG23 THR 71 3HG2 THR 71 -0.676 -1.763 -0.641 588 H LEU 72 H LEU 72 2.644 -4.123 -3.113 589 HA LEU 72 HA LEU 72 3.578 -2.982 -5.519 590 HB2 LEU 72 2HB LEU 72 4.559 -5.549 -4.195 591 HB3 LEU 72 1HB LEU 72 5.438 -4.590 -5.379 592 HG LEU 72 HG LEU 72 4.762 -3.803 -2.535 593 HD11 LEU 72 1HD1 LEU 72 7.142 -3.675 -2.154 594 HD12 LEU 72 2HD1 LEU 72 7.451 -4.208 -3.812 595 HD13 LEU 72 3HD1 LEU 72 6.649 -5.288 -2.665 596 HD21 LEU 72 1HD2 LEU 72 5.994 -1.684 -2.950 597 HD22 LEU 72 2HD2 LEU 72 4.449 -1.813 -3.785 598 HD23 LEU 72 3HD2 LEU 72 5.960 -2.053 -4.680 599 H ASP 73 H ASP 73 2.357 -6.308 -4.841 600 HA ASP 73 HA ASP 73 2.358 -7.258 -7.490 601 HB2 ASP 73 2HB ASP 73 0.640 -8.065 -5.103 602 HB3 ASP 73 1HB ASP 73 0.554 -8.900 -6.653 603 H ASN 74 H ASN 74 -0.394 -5.995 -5.610 604 HA ASN 74 HA ASN 74 -2.391 -6.249 -7.529 605 HB2 ASN 74 2HB ASN 74 -2.217 -4.279 -5.203 606 HB3 ASN 74 1HB ASN 74 -3.687 -4.597 -6.124 607 HD21 ASN 74 1HD2 ASN 74 -3.082 -4.965 -3.277 608 HD22 ASN 74 2HD2 ASN 74 -3.455 -6.614 -2.934 609 H GLU 75 H GLU 75 -0.619 -3.255 -6.627 610 HA GLU 75 HA GLU 75 -1.999 -1.701 -8.593 611 HB2 GLU 75 2HB GLU 75 -1.091 -0.835 -6.352 612 HB3 GLU 75 1HB GLU 75 0.500 -0.829 -7.102 613 HG2 GLU 75 2HG GLU 75 -0.358 0.737 -8.844 614 HG3 GLU 75 1HG GLU 75 -1.917 0.759 -8.025 615 H GLN 76 H GLN 76 1.160 -3.393 -8.542 616 HA GLN 76 HA GLN 76 2.187 -2.262 -10.960 617 HB2 GLN 76 2HB GLN 76 3.665 -3.522 -9.488 618 HB3 GLN 76 1HB GLN 76 2.698 -4.975 -9.685 619 HG2 GLN 76 2HG GLN 76 3.353 -4.986 -12.125 620 HG3 GLN 76 1HG GLN 76 4.446 -3.647 -11.780 621 HE21 GLN 76 1HE2 GLN 76 3.886 -6.357 -9.562 622 HE22 GLN 76 2HE2 GLN 76 5.463 -7.039 -9.724 623 H LEU 77 H LEU 77 0.075 -5.043 -10.308 624 HA LEU 77 HA LEU 77 -0.155 -5.941 -12.995 625 HB2 LEU 77 2HB LEU 77 -1.974 -6.295 -10.590 626 HB3 LEU 77 1HB LEU 77 -2.292 -7.061 -12.141 627 HG LEU 77 HG LEU 77 0.199 -7.544 -10.449 628 HD11 LEU 77 1HD1 LEU 77 -1.792 -8.443 -9.350 629 HD12 LEU 77 2HD1 LEU 77 -0.751 -9.738 -9.932 630 HD13 LEU 77 3HD1 LEU 77 -2.226 -9.328 -10.815 631 HD21 LEU 77 1HD2 LEU 77 0.659 -9.390 -12.000 632 HD22 LEU 77 2HD2 LEU 77 0.635 -7.844 -12.841 633 HD23 LEU 77 3HD2 LEU 77 -0.743 -8.943 -12.975 634 H LEU 78 H LEU 78 -1.851 -3.476 -11.099 635 HA LEU 78 HA LEU 78 -3.694 -2.715 -13.152 636 HB2 LEU 78 2HB LEU 78 -2.622 -1.177 -10.758 637 HB3 LEU 78 1HB LEU 78 -3.892 -0.570 -11.815 638 HG LEU 78 HG LEU 78 -4.063 -3.072 -10.088 639 HD11 LEU 78 1HD1 LEU 78 -5.510 -0.426 -9.821 640 HD12 LEU 78 2HD1 LEU 78 -4.185 -0.992 -8.793 641 HD13 LEU 78 3HD1 LEU 78 -5.723 -1.854 -8.802 642 HD21 LEU 78 1HD2 LEU 78 -6.424 -3.169 -10.810 643 HD22 LEU 78 2HD2 LEU 78 -5.310 -3.406 -12.150 644 HD23 LEU 78 3HD2 LEU 78 -6.129 -1.853 -11.950 645 H LYS 79 H LYS 79 -0.358 -1.711 -12.412 646 HA LYS 79 HA LYS 79 -0.128 0.448 -14.230 647 HB2 LYS 79 2HB LYS 79 2.006 -1.552 -13.331 648 HB3 LYS 79 1HB LYS 79 2.351 -0.053 -14.184 649 HG2 LYS 79 2HG LYS 79 0.999 -0.141 -11.465 650 HG3 LYS 79 1HG LYS 79 2.744 -0.025 -11.673 651 HD2 LYS 79 2HD LYS 79 2.479 2.096 -12.856 652 HD3 LYS 79 1HD LYS 79 0.728 1.975 -12.754 653 HE2 LYS 79 2HE LYS 79 2.335 1.968 -10.196 654 HE3 LYS 79 1HE LYS 79 2.086 3.491 -11.055 655 HZ1 LYS 79 1HZ LYS 79 -0.281 3.181 -10.921 656 HZ2 LYS 79 2HZ LYS 79 0.395 3.101 -9.375 657 HZ3 LYS 79 3HZ LYS 79 -0.087 1.679 -10.161 658 H GLY 80 H GLY 80 0.337 -3.038 -14.577 659 HA2 GLY 80 2HA GLY 80 1.129 -3.041 -17.326 660 HA3 GLY 80 1HA GLY 80 0.705 -4.432 -16.346 661 H LEU 81 H LEU 81 -1.943 -3.450 -15.636 662 HA LEU 81 HA LEU 81 -3.408 -4.512 -17.862 663 HB2 LEU 81 2HB LEU 81 -3.897 -4.741 -15.328 664 HB3 LEU 81 1HB LEU 81 -4.601 -3.144 -15.415 665 HG LEU 81 HG LEU 81 -5.625 -5.529 -17.029 666 HD11 LEU 81 1HD1 LEU 81 -6.665 -4.481 -14.373 667 HD12 LEU 81 2HD1 LEU 81 -5.841 -6.020 -14.644 668 HD13 LEU 81 3HD1 LEU 81 -7.423 -5.735 -15.363 669 HD21 LEU 81 1HD2 LEU 81 -6.948 -2.858 -16.430 670 HD22 LEU 81 2HD2 LEU 81 -7.681 -4.203 -17.309 671 HD23 LEU 81 3HD2 LEU 81 -6.289 -3.365 -17.986 672 H LEU 82 H LEU 82 -3.458 -1.368 -16.199 673 HA LEU 82 HA LEU 82 -5.376 -0.165 -17.892 674 HB2 LEU 82 2HB LEU 82 -3.408 1.084 -15.929 675 HB3 LEU 82 1HB LEU 82 -4.761 1.940 -16.656 676 HG LEU 82 HG LEU 82 -5.069 -0.500 -14.845 677 HD11 LEU 82 1HD1 LEU 82 -5.791 1.052 -13.082 678 HD12 LEU 82 2HD1 LEU 82 -5.376 2.427 -14.111 679 HD13 LEU 82 3HD1 LEU 82 -4.114 1.325 -13.553 680 HD21 LEU 82 1HD2 LEU 82 -7.147 1.471 -15.855 681 HD22 LEU 82 2HD2 LEU 82 -7.433 0.149 -14.718 682 HD23 LEU 82 3HD2 LEU 82 -6.956 -0.207 -16.374 683 H GLN 83 H GLN 83 -1.781 0.191 -17.779 684 HA GLN 83 HA GLN 83 -1.894 1.619 -20.383 685 HB2 GLN 83 2HB GLN 83 -1.875 3.198 -18.361 686 HB3 GLN 83 1HB GLN 83 -0.251 2.621 -18.015 687 HG2 GLN 83 2HG GLN 83 -0.221 4.787 -19.182 688 HG3 GLN 83 1HG GLN 83 0.551 3.529 -20.149 689 HE21 GLN 83 1HE2 GLN 83 -0.455 2.845 -22.076 690 HE22 GLN 83 2HE2 GLN 83 -1.757 3.719 -22.802 691 H GLN 84 H GLN 84 -0.694 -1.013 -18.943 692 HA GLN 84 HA GLN 84 0.866 -2.547 -19.470 693 HB2 GLN 84 2HB GLN 84 1.526 -0.749 -21.833 694 HB3 GLN 84 1HB GLN 84 2.119 -2.394 -21.627 695 HG2 GLN 84 2HG GLN 84 -0.179 -3.248 -21.769 696 HG3 GLN 84 1HG GLN 84 -0.789 -1.604 -21.944 697 HE21 GLN 84 1HE2 GLN 84 1.403 -0.751 -23.721 698 HE22 GLN 84 2HE2 GLN 84 1.086 -1.504 -25.240 699 H ARG 85 H ARG 85 1.631 0.232 -18.120 700 HA ARG 85 HA ARG 85 4.259 -0.442 -17.332 701 HB2 ARG 85 2HB ARG 85 4.526 0.554 -19.769 702 HB3 ARG 85 1HB ARG 85 4.228 2.108 -19.008 703 HG2 ARG 85 2HG ARG 85 6.586 1.913 -19.171 704 HG3 ARG 85 1HG ARG 85 6.215 1.597 -17.477 705 HD2 ARG 85 2HD ARG 85 6.876 -0.473 -19.606 706 HD3 ARG 85 1HD ARG 85 7.924 0.040 -18.286 707 HE ARG 85 HE ARG 85 5.570 -1.712 -18.116 708 HH11 ARG 85 1HH1 ARG 85 8.261 -0.192 -16.379 709 HH12 ARG 85 2HH1 ARG 85 8.079 -1.219 -14.991 710 HH21 ARG 85 1HH2 ARG 85 5.362 -3.013 -16.288 711 HH22 ARG 85 2HH2 ARG 85 6.439 -2.813 -14.945 712 H LEU 86 H LEU 86 5.188 2.005 -16.376 713 HA LEU 86 HA LEU 86 3.591 2.046 -14.029 714 HB2 LEU 86 2HB LEU 86 6.007 3.732 -14.743 715 HB3 LEU 86 1HB LEU 86 5.345 3.518 -13.127 716 HG LEU 86 HG LEU 86 6.620 1.333 -14.831 717 HD11 LEU 86 1HD1 LEU 86 8.430 1.353 -13.172 718 HD12 LEU 86 2HD1 LEU 86 7.680 2.730 -12.359 719 HD13 LEU 86 3HD1 LEU 86 8.285 2.898 -14.010 720 HD21 LEU 86 1HD2 LEU 86 6.435 -0.113 -12.839 721 HD22 LEU 86 2HD2 LEU 86 4.851 0.381 -13.432 722 HD23 LEU 86 3HD2 LEU 86 5.533 1.153 -11.998 723 H ASP 87 H ASP 87 1.586 2.874 -14.848 724 HA ASP 87 HA ASP 87 1.383 5.765 -15.322 725 HB2 ASP 87 2HB ASP 87 0.051 4.187 -16.728 726 HB3 ASP 87 1HB ASP 87 -0.771 3.599 -15.286 727 H GLU 88 H GLU 88 1.081 7.073 -13.601 728 HA GLU 88 HA GLU 88 0.799 5.895 -10.956 729 HB2 GLU 88 2HB GLU 88 1.340 8.782 -11.752 730 HB3 GLU 88 1HB GLU 88 1.557 8.078 -10.151 731 HG2 GLU 88 2HG GLU 88 3.147 7.445 -12.654 732 HG3 GLU 88 1HG GLU 88 3.715 8.311 -11.228 733 H LEU 89 H LEU 89 -1.554 6.529 -13.017 734 HA LEU 89 HA LEU 89 -3.731 7.176 -12.971 735 HB2 LEU 89 2HB LEU 89 -3.257 6.567 -10.030 736 HB3 LEU 89 1HB LEU 89 -4.850 6.933 -10.659 737 HG LEU 89 HG LEU 89 -3.182 4.575 -11.633 738 HD11 LEU 89 1HD1 LEU 89 -3.667 4.260 -9.248 739 HD12 LEU 89 2HD1 LEU 89 -4.583 3.123 -10.234 740 HD13 LEU 89 3HD1 LEU 89 -5.388 4.535 -9.540 741 HD21 LEU 89 1HD2 LEU 89 -6.125 5.246 -11.988 742 HD22 LEU 89 2HD2 LEU 89 -5.342 3.755 -12.515 743 HD23 LEU 89 3HD2 LEU 89 -4.875 5.293 -13.238 744 H SER 90 H SER 90 -4.850 8.697 -10.450 745 HA SER 90 HA SER 90 -3.597 11.340 -10.970 746 HB2 SER 90 2HB SER 90 -6.431 10.883 -9.945 747 HB3 SER 90 1HB SER 90 -5.739 12.368 -10.598 748 HG SER 90 HG SER 90 -6.704 10.097 -11.895 749 H SER 91 H SER 91 -2.928 12.511 -9.180 750 HA SER 91 HA SER 91 -2.513 13.208 -7.079 751 HB2 SER 91 2HB SER 91 -4.877 12.842 -6.495 752 HB3 SER 91 1HB SER 91 -4.558 11.145 -6.148 753 HG SER 91 HG SER 91 -3.347 11.758 -4.387 754 H LEU 92 H LEU 92 -0.874 11.288 -8.386 755 HA LEU 92 HA LEU 92 0.681 10.559 -5.959 756 HB2 LEU 92 2HB LEU 92 0.790 9.195 -8.692 757 HB3 LEU 92 1HB LEU 92 1.983 8.947 -7.427 758 HG LEU 92 HG LEU 92 -0.925 8.068 -7.428 759 HD11 LEU 92 1HD1 LEU 92 -0.003 5.815 -7.181 760 HD12 LEU 92 2HD1 LEU 92 1.643 6.456 -7.166 761 HD13 LEU 92 3HD1 LEU 92 0.652 6.594 -8.622 762 HD21 LEU 92 1HD2 LEU 92 -0.474 8.941 -5.206 763 HD22 LEU 92 2HD2 LEU 92 1.003 7.982 -5.085 764 HD23 LEU 92 3HD2 LEU 92 -0.572 7.185 -5.154 765 H ILE 93 H ILE 93 3.126 10.506 -6.625 766 HA ILE 93 HA ILE 93 3.930 13.134 -7.404 767 HB ILE 93 HB ILE 93 5.693 10.646 -7.172 768 HG12 ILE 93 2HG1 ILE 93 4.995 12.613 -4.945 769 HG13 ILE 93 1HG1 ILE 93 4.270 11.020 -5.121 770 HG21 ILE 93 1HG2 ILE 93 6.426 13.578 -6.865 771 HG22 ILE 93 2HG2 ILE 93 6.843 12.543 -8.233 772 HG23 ILE 93 3HG2 ILE 93 7.523 12.213 -6.638 773 HD11 ILE 93 1HD1 ILE 93 5.987 10.994 -3.436 774 HD12 ILE 93 2HD1 ILE 93 7.182 11.596 -4.583 775 HD13 ILE 93 3HD1 ILE 93 6.475 9.991 -4.801 776 H GLY 94 H GLY 94 5.038 13.788 -9.307 777 HA2 GLY 94 2HA GLY 94 4.000 12.796 -11.727 778 HA3 GLY 94 1HA GLY 94 5.251 14.011 -11.562 779 H GLN 95 H GLN 95 4.763 11.473 -13.259 780 HA GLN 95 HA GLN 95 6.006 10.106 -14.519 781 HB2 GLN 95 2HB GLN 95 7.403 12.125 -14.841 782 HB3 GLN 95 1HB GLN 95 8.382 11.683 -13.447 783 HG2 GLN 95 2HG GLN 95 8.989 9.546 -14.688 784 HG3 GLN 95 1HG GLN 95 8.187 10.223 -16.101 785 HE21 GLN 95 1HE2 GLN 95 10.153 12.070 -13.792 786 HE22 GLN 95 2HE2 GLN 95 11.428 12.417 -14.904 787 H SER 96 H SER 96 5.390 8.289 -13.235 788 HA SER 96 HA SER 96 5.810 6.227 -12.407 789 HB2 SER 96 2HB SER 96 8.469 6.732 -13.796 790 HB3 SER 96 1HB SER 96 7.830 5.144 -13.362 791 HG SER 96 HG SER 96 5.929 5.844 -14.667 792 H THR 97 H THR 97 5.764 7.211 -10.149 793 HA THR 97 HA THR 97 8.374 7.241 -8.780 794 HB THR 97 HB THR 97 6.773 9.163 -8.419 795 HG1 THR 97 HG1 THR 97 8.283 8.889 -6.841 796 HG21 THR 97 1HG2 THR 97 4.856 8.894 -6.904 797 HG22 THR 97 2HG2 THR 97 5.119 7.150 -6.818 798 HG23 THR 97 3HG2 THR 97 4.621 7.899 -8.341 799 H ARG 98 H ARG 98 5.436 5.302 -9.021 800 HA ARG 98 HA ARG 98 5.308 4.480 -6.341 801 HB2 ARG 98 2HB ARG 98 3.371 4.434 -7.988 802 HB3 ARG 98 1HB ARG 98 4.066 2.968 -8.674 803 HG2 ARG 98 2HG ARG 98 2.408 2.192 -7.175 804 HG3 ARG 98 1HG ARG 98 3.923 1.965 -6.298 805 HD2 ARG 98 2HD ARG 98 1.846 4.147 -5.895 806 HD3 ARG 98 1HD ARG 98 2.295 2.872 -4.763 807 HE ARG 98 HE ARG 98 4.584 4.072 -4.808 808 HH11 ARG 98 1HH1 ARG 98 1.456 5.648 -4.824 809 HH12 ARG 98 2HH1 ARG 98 2.058 7.109 -4.116 810 HH21 ARG 98 1HH2 ARG 98 5.393 6.114 -4.138 811 HH22 ARG 98 2HH2 ARG 98 4.270 7.372 -3.732 812 H GLN 99 H GLN 99 6.490 2.745 -9.203 813 HA GLN 99 HA GLN 99 7.012 0.279 -8.039 814 HB2 GLN 99 2HB GLN 99 6.984 0.703 -10.478 815 HB3 GLN 99 1HB GLN 99 8.457 1.651 -10.345 816 HG2 GLN 99 2HG GLN 99 8.884 -0.595 -11.253 817 HG3 GLN 99 1HG GLN 99 9.729 -0.337 -9.731 818 HE21 GLN 99 1HE2 GLN 99 9.081 -1.502 -7.897 819 HE22 GLN 99 2HE2 GLN 99 8.055 -2.887 -7.997 820 H LYS 100 H LYS 100 9.265 3.016 -8.537 821 HA LYS 100 HA LYS 100 11.526 1.636 -7.472 822 HB2 LYS 100 2HB LYS 100 11.530 3.527 -9.231 823 HB3 LYS 100 1HB LYS 100 11.311 4.647 -7.892 824 HG2 LYS 100 2HG LYS 100 13.671 4.538 -8.506 825 HG3 LYS 100 1HG LYS 100 13.448 3.850 -6.891 826 HD2 LYS 100 2HD LYS 100 13.482 1.562 -7.880 827 HD3 LYS 100 1HD LYS 100 13.743 2.263 -9.480 828 HE2 LYS 100 2HE LYS 100 15.840 1.428 -8.524 829 HE3 LYS 100 1HE LYS 100 15.908 3.180 -8.716 830 HZ1 LYS 100 1HZ LYS 100 15.439 3.419 -6.361 831 HZ2 LYS 100 2HZ LYS 100 16.806 2.458 -6.592 832 HZ3 LYS 100 3HZ LYS 100 15.338 1.743 -6.177 833 H SER 101 H SER 101 9.503 4.313 -6.247 834 HA SER 101 HA SER 101 10.997 4.752 -3.870 835 HB2 SER 101 2HB SER 101 9.655 6.528 -4.921 836 HB3 SER 101 1HB SER 101 8.171 5.632 -4.600 837 HG SER 101 HG SER 101 9.947 6.813 -2.729 838 H LEU 102 H LEU 102 8.094 2.818 -4.568 839 HA LEU 102 HA LEU 102 7.506 2.386 -1.750 840 HB2 LEU 102 2HB LEU 102 5.809 2.638 -3.712 841 HB3 LEU 102 1HB LEU 102 6.171 0.959 -4.066 842 HG LEU 102 HG LEU 102 5.365 0.343 -1.760 843 HD11 LEU 102 1HD1 LEU 102 5.762 2.457 -0.604 844 HD12 LEU 102 2HD1 LEU 102 4.071 1.985 -0.461 845 HD13 LEU 102 3HD1 LEU 102 4.537 3.260 -1.595 846 HD21 LEU 102 1HD2 LEU 102 3.883 0.156 -3.701 847 HD22 LEU 102 2HD2 LEU 102 3.363 1.830 -3.488 848 HD23 LEU 102 3HD2 LEU 102 2.976 0.621 -2.262 849 H ASN 103 H ASN 103 8.916 0.495 -4.473 850 HA ASN 103 HA ASN 103 9.283 -1.902 -2.946 851 HB2 ASN 103 2HB ASN 103 9.414 -1.904 -5.424 852 HB3 ASN 103 1HB ASN 103 10.876 -0.927 -5.359 853 HD21 ASN 103 1HD2 ASN 103 9.517 -4.091 -4.672 854 HD22 ASN 103 2HD2 ASN 103 11.028 -4.933 -4.614 855 H ASN 104 H ASN 104 11.211 1.041 -3.385 856 HA ASN 104 HA ASN 104 13.502 0.361 -1.885 857 HB2 ASN 104 2HB ASN 104 13.396 2.420 -3.239 858 HB3 ASN 104 1HB ASN 104 12.121 3.065 -2.217 859 HD21 ASN 104 1HD2 ASN 104 15.547 2.396 -2.436 860 HD22 ASN 104 2HD2 ASN 104 16.014 3.364 -1.087 861 H ALA 105 H ALA 105 10.373 1.791 -0.912 862 HA ALA 105 HA ALA 105 10.811 2.148 1.822 863 HB1 ALA 105 1HB ALA 105 8.364 2.173 2.040 864 HB2 ALA 105 2HB ALA 105 8.198 1.449 0.436 865 HB3 ALA 105 3HB ALA 105 8.873 3.072 0.609 866 H TYR 106 H TYR 106 9.568 -0.699 0.066 867 HA TYR 106 HA TYR 106 9.114 -2.438 2.209 868 HB2 TYR 106 2HB TYR 106 8.492 -2.817 -0.243 869 HB3 TYR 106 1HB TYR 106 10.165 -3.251 -0.544 870 HD1 TYR 106 HD1 TYR 106 11.102 -5.267 1.021 871 HD2 TYR 106 HD2 TYR 106 6.965 -4.545 0.244 872 HE1 TYR 106 HE1 TYR 106 10.593 -7.597 1.595 873 HE2 TYR 106 HE2 TYR 106 6.466 -6.867 0.835 874 HH TYR 106 HH TYR 106 7.624 -9.053 0.924 875 H GLY 107 H GLY 107 12.073 -1.952 0.238 876 HA2 GLY 107 2HA GLY 107 13.652 -3.983 1.443 877 HA3 GLY 107 1HA GLY 107 14.246 -2.665 0.449 878 H ARG 108 H ARG 108 13.358 -0.518 2.088 879 HA ARG 108 HA ARG 108 15.516 -0.357 3.947 880 HB2 ARG 108 2HB ARG 108 13.142 1.534 3.591 881 HB3 ARG 108 1HB ARG 108 14.593 1.884 4.530 882 HG2 ARG 108 2HG ARG 108 14.445 1.484 1.522 883 HG3 ARG 108 1HG ARG 108 14.693 3.011 2.365 884 HD2 ARG 108 2HD ARG 108 16.878 2.300 3.135 885 HD3 ARG 108 1HD ARG 108 16.613 0.659 2.532 886 HE ARG 108 HE ARG 108 16.651 2.927 0.649 887 HH11 ARG 108 1HH1 ARG 108 18.173 -0.033 1.815 888 HH12 ARG 108 2HH1 ARG 108 19.216 -0.181 0.439 889 HH21 ARG 108 1HH2 ARG 108 18.013 2.698 -1.161 890 HH22 ARG 108 2HH2 ARG 108 19.123 1.370 -1.249 891 H LEU 109 H LEU 109 12.005 -0.946 4.197 892 HA LEU 109 HA LEU 109 11.793 -0.911 7.025 893 HB2 LEU 109 2HB LEU 109 9.812 -0.870 5.548 894 HB3 LEU 109 1HB LEU 109 10.165 -2.500 5.005 895 HG LEU 109 HG LEU 109 9.717 -3.375 7.298 896 HD11 LEU 109 1HD1 LEU 109 10.351 -1.440 8.641 897 HD12 LEU 109 2HD1 LEU 109 8.710 -1.951 9.029 898 HD13 LEU 109 3HD1 LEU 109 8.974 -0.524 8.021 899 HD21 LEU 109 1HD2 LEU 109 7.443 -1.693 6.217 900 HD22 LEU 109 2HD2 LEU 109 7.297 -3.086 7.295 901 HD23 LEU 109 3HD2 LEU 109 7.902 -3.301 5.655 902 H SER 110 H SER 110 12.327 -3.529 4.722 903 HA SER 110 HA SER 110 12.245 -5.679 6.521 904 HB2 SER 110 2HB SER 110 11.871 -5.800 4.028 905 HB3 SER 110 1HB SER 110 13.609 -5.577 3.792 906 HG SER 110 HG SER 110 13.771 -7.504 5.239 907 H GLY 111 H GLY 111 14.943 -3.697 5.289 908 HA2 GLY 111 2HA GLY 111 16.936 -5.278 6.745 909 HA3 GLY 111 1HA GLY 111 17.239 -3.911 5.690 910 H MET 112 H MET 112 16.044 -1.762 6.694 911 HA MET 112 HA MET 112 17.709 -1.383 9.091 912 HB2 MET 112 2HB MET 112 18.063 0.030 7.086 913 HB3 MET 112 1HB MET 112 16.428 0.656 7.225 914 HG2 MET 112 2HG MET 112 18.000 2.295 8.052 915 HG3 MET 112 1HG MET 112 17.039 1.693 9.398 916 HE1 MET 112 1HE MET 112 18.157 -0.441 11.021 917 HE2 MET 112 2HE MET 112 18.148 1.216 11.626 918 HE3 MET 112 3HE MET 112 19.596 0.223 11.798 919 H LEU 113 H LEU 113 14.532 -0.022 8.067 920 HA LEU 113 HA LEU 113 12.886 -0.531 10.212 921 HB2 LEU 113 2HB LEU 113 14.801 0.706 11.510 922 HB3 LEU 113 1HB LEU 113 14.222 2.167 10.740 923 HG LEU 113 HG LEU 113 11.937 1.662 11.822 924 HD11 LEU 113 1HD1 LEU 113 13.567 -0.278 13.483 925 HD12 LEU 113 2HD1 LEU 113 12.253 -0.674 12.368 926 HD13 LEU 113 3HD1 LEU 113 11.916 0.254 13.825 927 HD21 LEU 113 1HD2 LEU 113 12.540 2.672 13.969 928 HD22 LEU 113 2HD2 LEU 113 13.351 3.465 12.620 929 HD23 LEU 113 3HD2 LEU 113 14.249 2.348 13.652 930 H LEU 114 H LEU 114 13.124 0.429 7.312 931 HA LEU 114 HA LEU 114 12.119 1.621 5.691 932 HB2 LEU 114 2HB LEU 114 10.074 1.037 7.423 933 HB3 LEU 114 1HB LEU 114 9.962 2.778 7.413 934 HG LEU 114 HG LEU 114 9.780 1.041 4.915 935 HD11 LEU 114 1HD1 LEU 114 7.912 0.551 6.419 936 HD12 LEU 114 2HD1 LEU 114 7.360 1.394 4.972 937 HD13 LEU 114 3HD1 LEU 114 7.507 2.269 6.502 938 HD21 LEU 114 1HD2 LEU 114 8.839 3.035 3.820 939 HD22 LEU 114 2HD2 LEU 114 10.478 3.332 4.395 940 HD23 LEU 114 3HD2 LEU 114 9.103 3.978 5.293 941 H VAL 115 H VAL 115 13.989 2.808 7.783 942 HA VAL 115 HA VAL 115 13.695 5.644 7.026 943 HB VAL 115 HB VAL 115 15.305 6.157 8.859 944 HG11 VAL 115 1HG1 VAL 115 12.887 6.297 9.304 945 HG12 VAL 115 2HG1 VAL 115 13.757 5.789 10.753 946 HG13 VAL 115 3HG1 VAL 115 12.862 4.600 9.800 947 HG21 VAL 115 1HG2 VAL 115 16.535 4.037 9.032 948 HG22 VAL 115 2HG2 VAL 115 15.087 3.213 9.608 949 HG23 VAL 115 3HG2 VAL 115 15.844 4.463 10.600 950 HA PRO 116 HA PRO 116 17.052 4.313 4.229 951 HB2 PRO 116 2HB PRO 116 16.660 6.178 2.274 952 HB3 PRO 116 1HB PRO 116 15.592 4.773 2.469 953 HG2 PRO 116 2HG PRO 116 15.120 7.617 3.249 954 HG3 PRO 116 1HG PRO 116 13.976 6.408 2.631 955 HD2 PRO 116 2HD PRO 116 14.281 7.107 5.338 956 HD3 PRO 116 1HD PRO 116 13.480 5.639 4.740 957 H ASP 117 H ASP 117 18.572 4.875 5.842 958 HA ASP 117 HA ASP 117 19.691 7.447 6.276 959 HB2 ASP 117 2HB ASP 117 20.902 4.656 6.573 960 HB3 ASP 117 1HB ASP 117 21.691 6.128 7.135 961 H ALA 118 H ALA 118 20.761 4.717 4.282 962 HA ALA 118 HA ALA 118 21.937 6.409 2.239 963 HB1 ALA 118 1HB ALA 118 23.754 6.302 3.907 964 HB2 ALA 118 2HB ALA 118 24.199 5.416 2.448 965 HB3 ALA 118 3HB ALA 118 23.687 4.539 3.895 966 HA PRO 119 HA PRO 119 20.667 2.700 -0.165 967 HB2 PRO 119 2HB PRO 119 22.522 3.983 -2.182 968 HB3 PRO 119 1HB PRO 119 20.851 3.410 -2.389 969 HG2 PRO 119 2HG PRO 119 21.335 6.013 -2.253 970 HG3 PRO 119 1HG PRO 119 19.919 5.326 -1.418 971 HD2 PRO 119 2HD PRO 119 22.577 6.154 -0.248 972 HD3 PRO 119 1HD PRO 119 20.934 6.420 0.383 973 H GLY 120 H GLY 120 21.632 0.808 0.382 974 HA2 GLY 120 2HA GLY 120 24.474 0.547 0.885 975 HA3 GLY 120 1HA GLY 120 23.251 -0.707 1.013 976 H ALA 121 H ALA 121 25.359 -1.731 0.067 977 HA ALA 121 HA ALA 121 26.078 -1.358 -2.645 978 HB1 ALA 121 1HB ALA 121 27.351 -3.454 -2.412 979 HB2 ALA 121 2HB ALA 121 26.512 -3.808 -0.898 980 HB3 ALA 121 3HB ALA 121 27.586 -2.413 -1.007 981 H SER 122 H SER 122 24.320 -1.416 -3.985 982 HA SER 122 HA SER 122 22.726 -3.872 -4.272 983 HB2 SER 122 2HB SER 122 22.408 -1.159 -5.646 984 HB3 SER 122 1HB SER 122 21.269 -2.507 -5.712 985 HG SER 122 HG SER 122 21.816 -1.926 -3.159 Start of MODEL 10 1 H1 MET 1 1H MET 1 3.132 4.252 20.780 2 H2 MET 1 2H MET 1 3.560 2.860 21.635 3 H3 MET 1 3H MET 1 1.951 3.353 21.582 4 HA MET 1 HA MET 1 3.555 2.463 19.281 5 HB2 MET 1 2HB MET 1 2.929 0.660 20.962 6 HB3 MET 1 1HB MET 1 1.240 1.025 20.650 7 HG2 MET 1 2HG MET 1 1.600 0.393 18.254 8 HG3 MET 1 1HG MET 1 3.244 -0.093 18.667 9 HE1 MET 1 1HE MET 1 0.848 -1.882 17.248 10 HE2 MET 1 2HE MET 1 1.187 -3.439 18.008 11 HE3 MET 1 3HE MET 1 2.515 -2.433 17.434 12 H THR 2 H THR 2 1.339 4.740 20.097 13 HA THR 2 HA THR 2 -0.950 4.407 18.583 14 HB THR 2 HB THR 2 0.563 6.999 19.131 15 HG1 THR 2 HG1 THR 2 -1.548 5.687 20.530 16 HG21 THR 2 1HG2 THR 2 -1.095 7.415 17.366 17 HG22 THR 2 2HG2 THR 2 -1.645 8.129 18.882 18 HG23 THR 2 3HG2 THR 2 -2.347 6.611 18.323 19 H SER 3 H SER 3 2.137 5.880 17.530 20 HA SER 3 HA SER 3 1.380 6.580 14.914 21 HB2 SER 3 2HB SER 3 4.170 5.982 15.989 22 HB3 SER 3 1HB SER 3 3.794 6.903 14.525 23 HG SER 3 HG SER 3 2.560 8.316 16.002 24 H THR 4 H THR 4 2.728 3.618 16.276 25 HA THR 4 HA THR 4 3.341 2.296 13.850 26 HB THR 4 HB THR 4 2.647 0.898 16.468 27 HG1 THR 4 HG1 THR 4 5.269 1.270 16.304 28 HG21 THR 4 1HG2 THR 4 4.351 -0.732 15.720 29 HG22 THR 4 2HG2 THR 4 4.602 0.196 14.244 30 HG23 THR 4 3HG2 THR 4 3.050 -0.593 14.536 31 H VAL 5 H VAL 5 0.489 2.155 16.020 32 HA VAL 5 HA VAL 5 -0.948 0.158 14.606 33 HB VAL 5 HB VAL 5 -2.000 2.289 16.529 34 HG11 VAL 5 1HG1 VAL 5 -3.323 -0.309 15.647 35 HG12 VAL 5 2HG1 VAL 5 -3.837 1.317 15.197 36 HG13 VAL 5 3HG1 VAL 5 -3.943 0.797 16.879 37 HG21 VAL 5 1HG2 VAL 5 -0.265 0.860 17.563 38 HG22 VAL 5 2HG2 VAL 5 -1.164 -0.585 17.096 39 HG23 VAL 5 3HG2 VAL 5 -1.850 0.540 18.273 40 H GLU 6 H GLU 6 -1.033 3.719 14.510 41 HA GLU 6 HA GLU 6 -3.006 4.104 12.559 42 HB2 GLU 6 2HB GLU 6 -0.520 5.724 13.243 43 HB3 GLU 6 1HB GLU 6 -1.692 6.261 12.040 44 HG2 GLU 6 2HG GLU 6 -2.294 5.755 14.969 45 HG3 GLU 6 1HG GLU 6 -2.027 7.336 14.233 46 H PHE 7 H PHE 7 0.503 3.641 12.253 47 HA PHE 7 HA PHE 7 0.787 4.007 9.489 48 HB2 PHE 7 2HB PHE 7 2.589 3.949 11.330 49 HB3 PHE 7 1HB PHE 7 2.509 2.197 11.244 50 HD1 PHE 7 HD1 PHE 7 3.059 5.204 9.075 51 HD2 PHE 7 HD2 PHE 7 4.013 1.084 9.785 52 HE1 PHE 7 HE1 PHE 7 4.755 5.286 7.302 53 HE2 PHE 7 HE2 PHE 7 5.697 1.181 8.001 54 HZ PHE 7 HZ PHE 7 6.070 3.278 6.762 55 H ILE 8 H ILE 8 0.282 1.023 11.391 56 HA ILE 8 HA ILE 8 0.370 -0.847 9.254 57 HB ILE 8 HB ILE 8 -0.964 -1.105 11.994 58 HG12 ILE 8 2HG1 ILE 8 1.770 -2.169 11.142 59 HG13 ILE 8 1HG1 ILE 8 1.540 -0.660 12.016 60 HG21 ILE 8 1HG2 ILE 8 -0.237 -3.303 10.019 61 HG22 ILE 8 2HG2 ILE 8 -1.870 -2.783 10.441 62 HG23 ILE 8 3HG2 ILE 8 -0.854 -3.561 11.655 63 HD11 ILE 8 1HD1 ILE 8 0.793 -3.405 13.027 64 HD12 ILE 8 2HD1 ILE 8 0.572 -1.883 13.896 65 HD13 ILE 8 3HD1 ILE 8 2.195 -2.451 13.511 66 H ASN 9 H ASN 9 -2.306 0.877 10.882 67 HA ASN 9 HA ASN 9 -4.455 -0.461 9.582 68 HB2 ASN 9 2HB ASN 9 -4.748 0.753 11.721 69 HB3 ASN 9 1HB ASN 9 -4.416 2.280 10.914 70 HD21 ASN 9 1HD2 ASN 9 -6.700 -0.392 11.134 71 HD22 ASN 9 2HD2 ASN 9 -8.070 0.475 10.532 72 H ARG 10 H ARG 10 -2.596 2.413 8.804 73 HA ARG 10 HA ARG 10 -4.108 3.280 6.553 74 HB2 ARG 10 2HB ARG 10 -1.201 3.750 7.317 75 HB3 ARG 10 1HB ARG 10 -1.989 4.528 5.948 76 HG2 ARG 10 2HG ARG 10 -3.517 5.709 7.428 77 HG3 ARG 10 1HG ARG 10 -2.889 4.838 8.829 78 HD2 ARG 10 2HD ARG 10 -0.629 5.861 8.359 79 HD3 ARG 10 1HD ARG 10 -1.393 6.845 7.108 80 HE ARG 10 HE ARG 10 -2.881 7.627 9.076 81 HH11 ARG 10 1HH1 ARG 10 0.552 6.875 9.375 82 HH12 ARG 10 2HH1 ARG 10 0.799 7.961 10.701 83 HH21 ARG 10 1HH2 ARG 10 -2.539 9.041 10.823 84 HH22 ARG 10 2HH2 ARG 10 -0.959 9.192 11.523 85 H TRP 11 H TRP 11 -1.255 1.157 6.976 86 HA TRP 11 HA TRP 11 -0.961 0.445 4.248 87 HB2 TRP 11 2HB TRP 11 0.018 -0.811 6.823 88 HB3 TRP 11 1HB TRP 11 0.194 -1.694 5.311 89 HD1 TRP 11 HD1 TRP 11 2.150 0.522 7.403 90 HE1 TRP 11 HE1 TRP 11 4.042 1.633 6.076 91 HE3 TRP 11 HE3 TRP 11 0.544 -0.453 2.629 92 HZ2 TRP 11 HZ2 TRP 11 4.773 2.076 3.412 93 HZ3 TRP 11 HZ3 TRP 11 1.904 0.369 0.744 94 HH2 TRP 11 HH2 TRP 11 3.978 1.609 1.136 95 H GLN 12 H GLN 12 -3.100 -0.792 6.784 96 HA GLN 12 HA GLN 12 -4.071 -3.091 5.459 97 HB2 GLN 12 2HB GLN 12 -5.560 -1.216 7.358 98 HB3 GLN 12 1HB GLN 12 -6.193 -2.758 6.792 99 HG2 GLN 12 2HG GLN 12 -4.240 -3.881 7.897 100 HG3 GLN 12 1HG GLN 12 -3.788 -2.322 8.582 101 HE21 GLN 12 1HE2 GLN 12 -6.154 -4.902 8.630 102 HE22 GLN 12 2HE2 GLN 12 -6.899 -4.457 10.124 103 H ARG 13 H ARG 13 -5.159 0.298 5.496 104 HA ARG 13 HA ARG 13 -7.335 0.104 3.765 105 HB2 ARG 13 2HB ARG 13 -6.834 2.092 5.197 106 HB3 ARG 13 1HB ARG 13 -5.491 2.498 4.134 107 HG2 ARG 13 2HG ARG 13 -7.350 3.909 3.529 108 HG3 ARG 13 1HG ARG 13 -7.133 2.730 2.232 109 HD2 ARG 13 2HD ARG 13 -8.979 1.348 3.309 110 HD3 ARG 13 1HD ARG 13 -9.262 2.696 4.412 111 HE ARG 13 HE ARG 13 -10.121 2.448 1.697 112 HH11 ARG 13 1HH1 ARG 13 -9.232 4.886 4.090 113 HH12 ARG 13 2HH1 ARG 13 -10.163 6.130 3.323 114 HH21 ARG 13 1HH2 ARG 13 -11.324 4.080 0.728 115 HH22 ARG 13 2HH2 ARG 13 -11.347 5.671 1.420 116 H ILE 14 H ILE 14 -3.916 0.899 2.986 117 HA ILE 14 HA ILE 14 -4.257 1.376 0.212 118 HB ILE 14 HB ILE 14 -1.742 0.439 1.673 119 HG12 ILE 14 2HG1 ILE 14 -2.521 3.314 0.991 120 HG13 ILE 14 1HG1 ILE 14 -2.787 2.582 2.570 121 HG21 ILE 14 1HG2 ILE 14 -1.992 1.846 -1.013 122 HG22 ILE 14 2HG2 ILE 14 -1.538 0.159 -0.768 123 HG23 ILE 14 3HG2 ILE 14 -0.475 1.446 -0.197 124 HD11 ILE 14 1HD1 ILE 14 -0.410 2.290 2.881 125 HD12 ILE 14 2HD1 ILE 14 -0.783 3.971 2.500 126 HD13 ILE 14 3HD1 ILE 14 -0.090 2.925 1.263 127 H ALA 15 H ALA 15 -3.210 -1.513 2.005 128 HA ALA 15 HA ALA 15 -2.604 -3.231 -0.138 129 HB1 ALA 15 1HB ALA 15 -1.847 -3.596 2.191 130 HB2 ALA 15 2HB ALA 15 -2.684 -5.016 1.568 131 HB3 ALA 15 3HB ALA 15 -3.508 -3.928 2.688 132 H LEU 16 H LEU 16 -5.543 -2.834 1.768 133 HA LEU 16 HA LEU 16 -7.057 -4.928 0.488 134 HB2 LEU 16 2HB LEU 16 -7.905 -2.722 2.402 135 HB3 LEU 16 1HB LEU 16 -8.989 -3.985 1.837 136 HG LEU 16 HG LEU 16 -6.478 -4.450 3.499 137 HD11 LEU 16 1HD1 LEU 16 -8.213 -3.293 4.783 138 HD12 LEU 16 2HD1 LEU 16 -7.971 -4.937 5.361 139 HD13 LEU 16 3HD1 LEU 16 -9.381 -4.553 4.370 140 HD21 LEU 16 1HD2 LEU 16 -8.631 -6.420 2.655 141 HD22 LEU 16 2HD2 LEU 16 -7.281 -6.757 3.742 142 HD23 LEU 16 3HD2 LEU 16 -6.970 -6.364 2.054 143 H LEU 17 H LEU 17 -6.861 -1.382 0.127 144 HA LEU 17 HA LEU 17 -9.063 -1.072 -1.631 145 HB2 LEU 17 2HB LEU 17 -6.604 0.636 -1.168 146 HB3 LEU 17 1HB LEU 17 -7.689 1.015 -2.495 147 HG LEU 17 HG LEU 17 -8.356 1.059 0.473 148 HD11 LEU 17 1HD1 LEU 17 -8.301 3.296 -1.575 149 HD12 LEU 17 2HD1 LEU 17 -7.095 3.007 -0.318 150 HD13 LEU 17 3HD1 LEU 17 -8.741 3.442 0.131 151 HD21 LEU 17 1HD2 LEU 17 -10.234 1.490 -1.874 152 HD22 LEU 17 2HD2 LEU 17 -10.612 1.801 -0.177 153 HD23 LEU 17 3HD2 LEU 17 -10.281 0.158 -0.713 154 H SER 18 H SER 18 -5.564 -1.411 -2.308 155 HA SER 18 HA SER 18 -5.739 -1.459 -5.105 156 HB2 SER 18 2HB SER 18 -3.453 -2.447 -5.031 157 HB3 SER 18 1HB SER 18 -3.615 -1.069 -3.940 158 HG SER 18 HG SER 18 -3.854 -2.537 -2.222 159 H GLN 19 H GLN 19 -5.984 -4.089 -2.714 160 HA GLN 19 HA GLN 19 -6.113 -6.301 -4.454 161 HB2 GLN 19 2HB GLN 19 -5.830 -6.485 -1.996 162 HB3 GLN 19 1HB GLN 19 -7.473 -5.906 -1.755 163 HG2 GLN 19 2HG GLN 19 -7.440 -8.305 -1.460 164 HG3 GLN 19 1HG GLN 19 -8.334 -7.930 -2.933 165 HE21 GLN 19 1HE2 GLN 19 -5.435 -9.329 -1.620 166 HE22 GLN 19 2HE2 GLN 19 -4.904 -10.104 -3.068 167 H SER 20 H SER 20 -8.740 -4.305 -3.066 168 HA SER 20 HA SER 20 -10.930 -5.505 -4.349 169 HB2 SER 20 2HB SER 20 -10.594 -2.615 -3.431 170 HB3 SER 20 1HB SER 20 -12.132 -3.372 -3.849 171 HG SER 20 HG SER 20 -10.663 -3.542 -1.553 172 H LEU 21 H LEU 21 -8.790 -2.869 -5.346 173 HA LEU 21 HA LEU 21 -10.230 -2.058 -7.651 174 HB2 LEU 21 2HB LEU 21 -7.320 -1.561 -6.896 175 HB3 LEU 21 1HB LEU 21 -8.157 -0.770 -8.224 176 HG LEU 21 HG LEU 21 -8.717 -0.430 -5.260 177 HD11 LEU 21 1HD1 LEU 21 -8.060 1.904 -5.606 178 HD12 LEU 21 2HD1 LEU 21 -7.678 1.553 -7.296 179 HD13 LEU 21 3HD1 LEU 21 -6.752 0.789 -6.001 180 HD21 LEU 21 1HD2 LEU 21 -10.443 1.195 -5.887 181 HD22 LEU 21 2HD2 LEU 21 -10.842 -0.429 -6.430 182 HD23 LEU 21 3HD2 LEU 21 -10.239 0.761 -7.585 183 H LEU 22 H LEU 22 -7.741 -4.451 -6.984 184 HA LEU 22 HA LEU 22 -7.040 -5.010 -9.684 185 HB2 LEU 22 2HB LEU 22 -5.589 -5.666 -7.796 186 HB3 LEU 22 1HB LEU 22 -6.811 -6.795 -7.233 187 HG LEU 22 HG LEU 22 -6.519 -8.186 -9.254 188 HD11 LEU 22 1HD1 LEU 22 -6.004 -6.461 -10.892 189 HD12 LEU 22 2HD1 LEU 22 -4.773 -7.720 -10.915 190 HD13 LEU 22 3HD1 LEU 22 -4.433 -6.171 -10.136 191 HD21 LEU 22 1HD2 LEU 22 -5.074 -8.649 -7.321 192 HD22 LEU 22 2HD2 LEU 22 -3.844 -7.562 -7.972 193 HD23 LEU 22 3HD2 LEU 22 -4.273 -9.039 -8.840 194 H GLU 23 H GLU 23 -9.251 -6.639 -7.364 195 HA GLU 23 HA GLU 23 -10.411 -8.553 -9.004 196 HB2 GLU 23 2HB GLU 23 -11.723 -6.861 -6.828 197 HB3 GLU 23 1HB GLU 23 -12.476 -8.286 -7.545 198 HG2 GLU 23 2HG GLU 23 -9.906 -8.234 -5.934 199 HG3 GLU 23 1HG GLU 23 -11.481 -8.797 -5.372 200 H LEU 24 H LEU 24 -11.463 -5.226 -8.471 201 HA LEU 24 HA LEU 24 -13.743 -5.295 -10.120 202 HB2 LEU 24 2HB LEU 24 -12.149 -2.959 -9.013 203 HB3 LEU 24 1HB LEU 24 -13.711 -2.791 -9.803 204 HG LEU 24 HG LEU 24 -13.213 -4.346 -7.231 205 HD11 LEU 24 1HD1 LEU 24 -12.935 -1.948 -6.876 206 HD12 LEU 24 2HD1 LEU 24 -14.370 -2.561 -6.060 207 HD13 LEU 24 3HD1 LEU 24 -14.534 -1.648 -7.562 208 HD21 LEU 24 1HD2 LEU 24 -15.067 -5.302 -8.503 209 HD22 LEU 24 2HD2 LEU 24 -15.839 -3.717 -8.615 210 HD23 LEU 24 3HD2 LEU 24 -15.653 -4.504 -7.045 211 H ALA 25 H ALA 25 -10.370 -4.285 -10.777 212 HA ALA 25 HA ALA 25 -10.814 -3.156 -13.362 213 HB1 ALA 25 1HB ALA 25 -8.403 -3.318 -13.678 214 HB2 ALA 25 2HB ALA 25 -8.270 -4.435 -12.315 215 HB3 ALA 25 3HB ALA 25 -8.748 -2.763 -12.036 216 H GLN 26 H GLN 26 -10.017 -6.411 -12.240 217 HA GLN 26 HA GLN 26 -9.767 -7.701 -14.765 218 HB2 GLN 26 2HB GLN 26 -10.499 -8.799 -12.017 219 HB3 GLN 26 1HB GLN 26 -10.121 -9.810 -13.412 220 HG2 GLN 26 2HG GLN 26 -7.841 -9.106 -13.438 221 HG3 GLN 26 1HG GLN 26 -8.158 -7.764 -12.336 222 HE21 GLN 26 1HE2 GLN 26 -6.172 -9.811 -12.038 223 HE22 GLN 26 2HE2 GLN 26 -6.522 -10.629 -10.559 224 H ARG 27 H ARG 27 -12.486 -6.831 -12.763 225 HA ARG 27 HA ARG 27 -14.476 -8.242 -14.375 226 HB2 ARG 27 2HB ARG 27 -14.808 -6.266 -12.070 227 HB3 ARG 27 1HB ARG 27 -16.090 -7.263 -12.761 228 HG2 ARG 27 2HG ARG 27 -15.108 -9.280 -11.938 229 HG3 ARG 27 1HG ARG 27 -13.594 -8.469 -11.538 230 HD2 ARG 27 2HD ARG 27 -14.953 -7.111 -9.830 231 HD3 ARG 27 1HD ARG 27 -16.258 -8.275 -10.108 232 HE ARG 27 HE ARG 27 -13.663 -9.418 -9.471 233 HH11 ARG 27 1HH1 ARG 27 -16.753 -8.388 -8.133 234 HH12 ARG 27 2HH1 ARG 27 -16.581 -9.344 -6.700 235 HH21 ARG 27 1HH2 ARG 27 -13.434 -10.633 -7.580 236 HH22 ARG 27 2HH2 ARG 27 -14.688 -10.620 -6.387 237 H GLY 28 H GLY 28 -12.887 -5.188 -14.487 238 HA2 GLY 28 2HA GLY 28 -12.982 -3.565 -16.127 239 HA3 GLY 28 1HA GLY 28 -14.411 -4.329 -16.805 240 H GLU 29 H GLU 29 -13.957 -3.236 -13.509 241 HA GLU 29 HA GLU 29 -16.325 -1.521 -13.634 242 HB2 GLU 29 2HB GLU 29 -14.784 -2.525 -11.199 243 HB3 GLU 29 1HB GLU 29 -16.344 -1.712 -11.184 244 HG2 GLU 29 2HG GLU 29 -15.817 -4.454 -12.380 245 HG3 GLU 29 1HG GLU 29 -16.474 -4.164 -10.771 246 H TRP 30 H TRP 30 -14.632 -0.167 -14.934 247 HA TRP 30 HA TRP 30 -12.388 1.067 -13.863 248 HB2 TRP 30 2HB TRP 30 -14.298 2.200 -15.957 249 HB3 TRP 30 1HB TRP 30 -12.676 2.808 -15.642 250 HD1 TRP 30 HD1 TRP 30 -14.391 -0.435 -16.961 251 HE1 TRP 30 HE1 TRP 30 -12.792 -1.577 -18.613 252 HE3 TRP 30 HE3 TRP 30 -10.326 2.647 -16.443 253 HZ2 TRP 30 HZ2 TRP 30 -10.170 -1.228 -19.585 254 HZ3 TRP 30 HZ3 TRP 30 -8.312 2.175 -17.781 255 HH2 TRP 30 HH2 TRP 30 -8.234 0.274 -19.321 256 H ASP 31 H ASP 31 -15.783 2.088 -13.641 257 HA ASP 31 HA ASP 31 -15.499 4.691 -12.640 258 HB2 ASP 31 2HB ASP 31 -17.731 2.722 -11.945 259 HB3 ASP 31 1HB ASP 31 -17.807 4.474 -11.772 260 H LEU 32 H LEU 32 -15.841 1.595 -10.903 261 HA LEU 32 HA LEU 32 -15.870 2.616 -8.271 262 HB2 LEU 32 2HB LEU 32 -15.107 -0.150 -9.277 263 HB3 LEU 32 1HB LEU 32 -15.406 0.245 -7.590 264 HG LEU 32 HG LEU 32 -17.465 0.357 -9.834 265 HD11 LEU 32 1HD1 LEU 32 -16.884 -1.936 -9.225 266 HD12 LEU 32 2HD1 LEU 32 -18.528 -1.542 -8.738 267 HD13 LEU 32 3HD1 LEU 32 -17.242 -1.594 -7.529 268 HD21 LEU 32 1HD2 LEU 32 -19.131 0.786 -8.079 269 HD22 LEU 32 2HD2 LEU 32 -17.945 2.080 -8.180 270 HD23 LEU 32 3HD2 LEU 32 -17.843 0.898 -6.872 271 H LEU 33 H LEU 33 -13.203 1.664 -10.388 272 HA LEU 33 HA LEU 33 -11.094 1.848 -8.491 273 HB2 LEU 33 2HB LEU 33 -11.182 1.958 -11.506 274 HB3 LEU 33 1HB LEU 33 -9.699 2.396 -10.678 275 HG LEU 33 HG LEU 33 -9.681 0.123 -9.591 276 HD11 LEU 33 1HD1 LEU 33 -11.931 -0.521 -11.502 277 HD12 LEU 33 2HD1 LEU 33 -12.040 -0.440 -9.742 278 HD13 LEU 33 3HD1 LEU 33 -11.044 -1.680 -10.501 279 HD21 LEU 33 1HD2 LEU 33 -8.325 0.619 -11.575 280 HD22 LEU 33 2HD2 LEU 33 -9.639 0.068 -12.617 281 HD23 LEU 33 3HD2 LEU 33 -8.837 -1.062 -11.524 282 H LEU 34 H LEU 34 -12.510 4.190 -10.752 283 HA LEU 34 HA LEU 34 -10.831 6.381 -10.037 284 HB2 LEU 34 2HB LEU 34 -13.578 6.395 -11.338 285 HB3 LEU 34 1HB LEU 34 -12.449 7.745 -11.324 286 HG LEU 34 HG LEU 34 -12.007 5.076 -12.720 287 HD11 LEU 34 1HD1 LEU 34 -13.699 6.430 -13.840 288 HD12 LEU 34 2HD1 LEU 34 -12.236 6.294 -14.811 289 HD13 LEU 34 3HD1 LEU 34 -12.575 7.790 -13.933 290 HD21 LEU 34 1HD2 LEU 34 -9.877 5.971 -11.943 291 HD22 LEU 34 2HD2 LEU 34 -10.221 7.530 -12.701 292 HD23 LEU 34 3HD2 LEU 34 -9.991 6.089 -13.696 293 H GLN 35 H GLN 35 -13.731 5.062 -8.602 294 HA GLN 35 HA GLN 35 -14.407 7.398 -7.043 295 HB2 GLN 35 2HB GLN 35 -15.343 4.509 -6.846 296 HB3 GLN 35 1HB GLN 35 -15.966 5.817 -5.842 297 HG2 GLN 35 2HG GLN 35 -16.749 6.987 -7.887 298 HG3 GLN 35 1HG GLN 35 -16.191 5.629 -8.861 299 HE21 GLN 35 1HE2 GLN 35 -18.886 6.676 -8.638 300 HE22 GLN 35 2HE2 GLN 35 -19.865 5.375 -8.067 301 H GLN 36 H GLN 36 -12.506 4.464 -6.533 302 HA GLN 36 HA GLN 36 -11.856 5.203 -3.775 303 HB2 GLN 36 2HB GLN 36 -10.976 2.833 -5.463 304 HB3 GLN 36 1HB GLN 36 -10.473 3.099 -3.796 305 HG2 GLN 36 2HG GLN 36 -13.321 2.659 -4.745 306 HG3 GLN 36 1HG GLN 36 -12.301 1.478 -3.922 307 HE21 GLN 36 1HE2 GLN 36 -14.919 2.660 -3.154 308 HE22 GLN 36 2HE2 GLN 36 -14.685 3.308 -1.570 309 H GLU 37 H GLU 37 -10.617 5.861 -6.887 310 HA GLU 37 HA GLU 37 -7.889 5.798 -6.746 311 HB2 GLU 37 2HB GLU 37 -9.041 6.425 -8.795 312 HB3 GLU 37 1HB GLU 37 -9.635 7.913 -8.066 313 HG2 GLU 37 2HG GLU 37 -7.358 8.822 -7.974 314 HG3 GLU 37 1HG GLU 37 -6.703 7.306 -8.591 315 H VAL 38 H VAL 38 -9.852 8.641 -5.743 316 HA VAL 38 HA VAL 38 -7.683 10.279 -5.015 317 HB VAL 38 HB VAL 38 -10.583 10.401 -4.068 318 HG11 VAL 38 1HG1 VAL 38 -10.161 12.775 -3.499 319 HG12 VAL 38 2HG1 VAL 38 -8.450 12.566 -3.888 320 HG13 VAL 38 3HG1 VAL 38 -9.160 11.694 -2.527 321 HG21 VAL 38 1HG2 VAL 38 -9.177 11.876 -6.329 322 HG22 VAL 38 2HG2 VAL 38 -10.853 12.122 -5.829 323 HG23 VAL 38 3HG2 VAL 38 -10.354 10.573 -6.510 324 H SER 39 H SER 39 -9.690 8.085 -3.027 325 HA SER 39 HA SER 39 -8.533 8.805 -0.525 326 HB2 SER 39 2HB SER 39 -9.669 6.698 0.304 327 HB3 SER 39 1HB SER 39 -10.741 7.816 -0.537 328 HG SER 39 HG SER 39 -9.492 5.650 -1.866 329 H TYR 40 H TYR 40 -7.757 6.413 -2.974 330 HA TYR 40 HA TYR 40 -5.936 4.828 -1.453 331 HB2 TYR 40 2HB TYR 40 -7.080 3.981 -3.468 332 HB3 TYR 40 1HB TYR 40 -6.292 5.196 -4.461 333 HD1 TYR 40 HD1 TYR 40 -5.348 2.406 -2.098 334 HD2 TYR 40 HD2 TYR 40 -4.450 4.474 -5.737 335 HE1 TYR 40 HE1 TYR 40 -3.564 0.787 -2.579 336 HE2 TYR 40 HE2 TYR 40 -2.666 2.861 -6.209 337 HH TYR 40 HH TYR 40 -1.268 1.263 -5.115 338 H LEU 41 H LEU 41 -5.504 7.383 -3.904 339 HA LEU 41 HA LEU 41 -2.691 7.535 -3.827 340 HB2 LEU 41 2HB LEU 41 -4.673 9.692 -4.667 341 HB3 LEU 41 1HB LEU 41 -2.951 9.714 -5.010 342 HG LEU 41 HG LEU 41 -5.020 7.807 -6.166 343 HD11 LEU 41 1HD1 LEU 41 -4.450 8.816 -8.319 344 HD12 LEU 41 2HD1 LEU 41 -3.317 9.914 -7.523 345 HD13 LEU 41 3HD1 LEU 41 -5.046 10.023 -7.181 346 HD21 LEU 41 1HD2 LEU 41 -3.225 6.794 -7.495 347 HD22 LEU 41 2HD2 LEU 41 -2.965 6.545 -5.771 348 HD23 LEU 41 3HD2 LEU 41 -2.024 7.764 -6.636 349 H GLN 42 H GLN 42 -5.216 9.354 -2.082 350 HA GLN 42 HA GLN 42 -3.488 11.277 -0.892 351 HB2 GLN 42 2HB GLN 42 -5.916 11.673 -1.170 352 HB3 GLN 42 1HB GLN 42 -6.270 10.376 -0.033 353 HG2 GLN 42 2HG GLN 42 -5.250 11.641 1.791 354 HG3 GLN 42 1HG GLN 42 -4.749 12.906 0.672 355 HE21 GLN 42 1HE2 GLN 42 -6.422 13.100 3.052 356 HE22 GLN 42 2HE2 GLN 42 -7.926 13.779 2.531 357 H SER 43 H SER 43 -4.884 8.198 0.327 358 HA SER 43 HA SER 43 -3.820 8.400 2.948 359 HB2 SER 43 2HB SER 43 -4.761 5.954 1.404 360 HB3 SER 43 1HB SER 43 -4.340 5.937 3.119 361 HG SER 43 HG SER 43 -6.381 7.484 1.882 362 H ILE 44 H ILE 44 -2.560 6.831 -0.025 363 HA ILE 44 HA ILE 44 -0.335 5.605 1.286 364 HB ILE 44 HB ILE 44 -1.338 4.815 -0.903 365 HG12 ILE 44 2HG1 ILE 44 1.686 5.202 -1.030 366 HG13 ILE 44 1HG1 ILE 44 0.884 4.008 -0.011 367 HG21 ILE 44 1HG2 ILE 44 -0.562 5.763 -3.027 368 HG22 ILE 44 2HG2 ILE 44 0.294 7.043 -2.163 369 HG23 ILE 44 3HG2 ILE 44 -1.466 6.958 -2.097 370 HD11 ILE 44 1HD1 ILE 44 0.763 4.109 -3.025 371 HD12 ILE 44 2HD1 ILE 44 -0.041 2.926 -1.991 372 HD13 ILE 44 3HD1 ILE 44 1.715 3.000 -2.042 373 H GLU 45 H GLU 45 -0.764 8.695 -0.430 374 HA GLU 45 HA GLU 45 1.848 9.702 -0.309 375 HB2 GLU 45 2HB GLU 45 -0.871 11.047 -0.281 376 HB3 GLU 45 1HB GLU 45 0.589 12.018 -0.125 377 HG2 GLU 45 2HG GLU 45 -0.035 10.169 -2.449 378 HG3 GLU 45 1HG GLU 45 -0.293 11.912 -2.447 379 H THR 46 H THR 46 -0.789 9.825 2.068 380 HA THR 46 HA THR 46 0.436 11.342 4.070 381 HB THR 46 HB THR 46 -1.654 9.139 4.356 382 HG1 THR 46 HG1 THR 46 -1.968 11.218 3.037 383 HG21 THR 46 1HG2 THR 46 -0.921 11.341 6.331 384 HG22 THR 46 2HG2 THR 46 -0.655 9.612 6.569 385 HG23 THR 46 3HG2 THR 46 -2.300 10.248 6.488 386 H VAL 47 H VAL 47 0.471 7.801 3.546 387 HA VAL 47 HA VAL 47 1.867 7.082 5.909 388 HB VAL 47 HB VAL 47 1.748 5.587 3.248 389 HG11 VAL 47 1HG1 VAL 47 2.438 4.547 6.023 390 HG12 VAL 47 2HG1 VAL 47 3.559 4.713 4.670 391 HG13 VAL 47 3HG1 VAL 47 2.234 3.553 4.576 392 HG21 VAL 47 1HG2 VAL 47 -0.487 6.029 4.120 393 HG22 VAL 47 2HG2 VAL 47 -0.033 5.392 5.698 394 HG23 VAL 47 3HG2 VAL 47 -0.109 4.317 4.303 395 H MET 48 H MET 48 3.018 7.677 2.583 396 HA MET 48 HA MET 48 5.779 7.099 3.157 397 HB2 MET 48 2HB MET 48 4.477 8.442 0.756 398 HB3 MET 48 1HB MET 48 6.180 7.993 0.834 399 HG2 MET 48 2HG MET 48 5.529 5.623 1.088 400 HG3 MET 48 1HG MET 48 3.828 6.086 0.974 401 HE1 MET 48 1HE MET 48 2.673 6.959 -1.272 402 HE2 MET 48 2HE MET 48 3.581 7.332 -2.736 403 HE3 MET 48 3HE MET 48 3.804 8.314 -1.290 404 H GLU 49 H GLU 49 3.796 9.955 3.360 405 HA GLU 49 HA GLU 49 6.010 11.838 3.439 406 HB2 GLU 49 2HB GLU 49 3.741 12.450 2.551 407 HB3 GLU 49 1HB GLU 49 3.071 12.243 4.163 408 HG2 GLU 49 2HG GLU 49 3.382 14.600 3.720 409 HG3 GLU 49 1HG GLU 49 4.510 14.098 4.979 410 H LYS 50 H LYS 50 3.992 10.074 5.719 411 HA LYS 50 HA LYS 50 4.938 11.549 8.046 412 HB2 LYS 50 2HB LYS 50 2.797 9.474 7.578 413 HB3 LYS 50 1HB LYS 50 3.473 9.580 9.197 414 HG2 LYS 50 2HG LYS 50 1.399 10.915 8.934 415 HG3 LYS 50 1HG LYS 50 2.791 11.886 9.422 416 HD2 LYS 50 2HD LYS 50 3.052 12.557 6.980 417 HD3 LYS 50 1HD LYS 50 1.522 11.739 6.656 418 HE2 LYS 50 2HE LYS 50 0.362 13.273 8.168 419 HE3 LYS 50 1HE LYS 50 1.897 14.039 8.592 420 HZ1 LYS 50 1HZ LYS 50 0.666 15.309 6.944 421 HZ2 LYS 50 2HZ LYS 50 0.701 14.003 5.878 422 HZ3 LYS 50 3HZ LYS 50 2.141 14.770 6.318 423 H GLN 51 H GLN 51 5.954 10.575 9.815 424 HA GLN 51 HA GLN 51 8.243 9.032 9.034 425 HB2 GLN 51 2HB GLN 51 8.338 10.984 10.603 426 HB3 GLN 51 1HB GLN 51 7.418 10.063 11.785 427 HG2 GLN 51 2HG GLN 51 9.273 8.406 11.900 428 HG3 GLN 51 1HG GLN 51 10.194 9.379 10.757 429 HE21 GLN 51 1HE2 GLN 51 9.346 11.949 12.026 430 HE22 GLN 51 2HE2 GLN 51 10.239 12.036 13.499 431 H THR 52 H THR 52 8.557 6.903 9.300 432 HA THR 52 HA THR 52 6.718 5.108 10.567 433 HB THR 52 HB THR 52 9.604 4.578 9.708 434 HG1 THR 52 HG1 THR 52 7.342 5.058 8.240 435 HG21 THR 52 1HG2 THR 52 8.884 2.241 9.468 436 HG22 THR 52 2HG2 THR 52 7.252 2.668 9.986 437 HG23 THR 52 3HG2 THR 52 8.599 2.790 11.122 438 HA PRO 53 HA PRO 53 8.496 5.876 14.696 439 HB2 PRO 53 2HB PRO 53 7.035 4.062 16.142 440 HB3 PRO 53 1HB PRO 53 6.312 5.549 15.489 441 HG2 PRO 53 2HG PRO 53 6.233 2.769 14.334 442 HG3 PRO 53 1HG PRO 53 4.904 3.929 14.562 443 HD2 PRO 53 2HD PRO 53 6.123 3.624 12.164 444 HD3 PRO 53 1HD PRO 53 5.506 5.202 12.706 445 HA PRO 54 HA PRO 54 11.820 2.840 15.198 446 HB2 PRO 54 2HB PRO 54 11.571 3.461 18.140 447 HB3 PRO 54 1HB PRO 54 13.006 3.533 17.091 448 HG2 PRO 54 2HG PRO 54 11.836 5.792 17.827 449 HG3 PRO 54 1HG PRO 54 12.375 5.591 16.141 450 HD2 PRO 54 2HD PRO 54 9.582 5.326 17.264 451 HD3 PRO 54 1HD PRO 54 10.132 6.169 15.795 452 H GLY 55 H GLY 55 9.194 2.668 17.595 453 HA2 GLY 55 2HA GLY 55 9.643 0.048 18.538 454 HA3 GLY 55 1HA GLY 55 8.157 0.963 18.703 455 H ILE 56 H ILE 56 9.983 -1.126 16.539 456 HA ILE 56 HA ILE 56 7.499 -2.274 15.417 457 HB ILE 56 HB ILE 56 10.073 -1.634 13.889 458 HG12 ILE 56 2HG1 ILE 56 7.228 -0.599 13.492 459 HG13 ILE 56 1HG1 ILE 56 8.576 0.318 14.154 460 HG21 ILE 56 1HG2 ILE 56 7.634 -3.133 12.851 461 HG22 ILE 56 2HG2 ILE 56 9.217 -3.840 13.177 462 HG23 ILE 56 3HG2 ILE 56 9.035 -2.647 11.892 463 HD11 ILE 56 1HD1 ILE 56 8.348 -0.719 11.331 464 HD12 ILE 56 2HD1 ILE 56 9.736 0.145 12.000 465 HD13 ILE 56 3HD1 ILE 56 8.173 0.947 11.877 466 H THR 57 H THR 57 7.429 -4.238 16.320 467 HA THR 57 HA THR 57 9.744 -5.896 16.879 468 HB THR 57 HB THR 57 8.018 -7.611 17.518 469 HG1 THR 57 HG1 THR 57 5.774 -6.716 17.523 470 HG21 THR 57 1HG2 THR 57 8.747 -5.959 19.220 471 HG22 THR 57 2HG2 THR 57 7.059 -6.420 19.447 472 HG23 THR 57 3HG2 THR 57 7.454 -4.864 18.713 473 H ARG 58 H ARG 58 9.547 -8.288 15.986 474 HA ARG 58 HA ARG 58 9.832 -8.216 13.174 475 HB2 ARG 58 2HB ARG 58 11.031 -9.887 14.502 476 HB3 ARG 58 1HB ARG 58 9.518 -10.608 15.036 477 HG2 ARG 58 2HG ARG 58 10.685 -11.936 13.266 478 HG3 ARG 58 1HG ARG 58 9.052 -11.453 12.799 479 HD2 ARG 58 2HD ARG 58 10.004 -9.594 11.461 480 HD3 ARG 58 1HD ARG 58 11.629 -10.102 11.931 481 HE ARG 58 HE ARG 58 10.273 -12.259 10.723 482 HH11 ARG 58 1HH1 ARG 58 11.699 -9.158 9.839 483 HH12 ARG 58 2HH1 ARG 58 12.049 -9.644 8.214 484 HH21 ARG 58 1HH2 ARG 58 10.769 -12.878 8.584 485 HH22 ARG 58 2HH2 ARG 58 11.524 -11.747 7.511 486 H SER 59 H SER 59 7.113 -9.204 15.270 487 HA SER 59 HA SER 59 5.406 -10.292 13.326 488 HB2 SER 59 2HB SER 59 4.637 -8.757 15.847 489 HB3 SER 59 1HB SER 59 3.606 -9.888 14.967 490 HG SER 59 HG SER 59 4.754 -11.550 15.711 491 H ILE 60 H ILE 60 5.659 -6.929 14.532 492 HA ILE 60 HA ILE 60 3.738 -5.711 12.864 493 HB ILE 60 HB ILE 60 6.244 -4.504 14.130 494 HG12 ILE 60 2HG1 ILE 60 3.340 -4.383 15.069 495 HG13 ILE 60 1HG1 ILE 60 4.547 -5.488 15.715 496 HG21 ILE 60 1HG2 ILE 60 3.860 -3.043 12.923 497 HG22 ILE 60 2HG2 ILE 60 5.501 -3.062 12.274 498 HG23 ILE 60 3HG2 ILE 60 5.180 -2.284 13.822 499 HD11 ILE 60 1HD1 ILE 60 4.222 -3.622 17.196 500 HD12 ILE 60 2HD1 ILE 60 4.600 -2.483 15.911 501 HD13 ILE 60 3HD1 ILE 60 5.849 -3.563 16.523 502 H GLN 61 H GLN 61 7.191 -6.318 12.433 503 HA GLN 61 HA GLN 61 7.635 -4.907 10.040 504 HB2 GLN 61 2HB GLN 61 9.414 -5.660 11.583 505 HB3 GLN 61 1HB GLN 61 9.074 -7.339 11.183 506 HG2 GLN 61 2HG GLN 61 9.837 -6.958 8.881 507 HG3 GLN 61 1HG GLN 61 10.119 -5.255 9.244 508 HE21 GLN 61 1HE2 GLN 61 12.302 -5.445 8.712 509 HE22 GLN 61 2HE2 GLN 61 13.440 -6.218 9.747 510 H ASP 62 H ASP 62 6.592 -8.254 10.656 511 HA ASP 62 HA ASP 62 6.638 -9.189 7.963 512 HB2 ASP 62 2HB ASP 62 5.047 -10.187 10.369 513 HB3 ASP 62 1HB ASP 62 5.091 -11.018 8.818 514 H MET 63 H MET 63 4.095 -7.782 10.028 515 HA MET 63 HA MET 63 1.931 -8.093 8.225 516 HB2 MET 63 2HB MET 63 2.276 -6.085 10.497 517 HB3 MET 63 1HB MET 63 0.765 -6.368 9.635 518 HG2 MET 63 2HG MET 63 0.872 -8.764 10.384 519 HG3 MET 63 1HG MET 63 2.247 -8.331 11.398 520 HE1 MET 63 1HE MET 63 1.360 -5.378 12.452 521 HE2 MET 63 2HE MET 63 2.055 -6.624 13.490 522 HE3 MET 63 3HE MET 63 0.548 -5.831 13.951 523 H VAL 64 H VAL 64 3.950 -5.220 8.906 524 HA VAL 64 HA VAL 64 2.790 -3.463 7.048 525 HB VAL 64 HB VAL 64 5.613 -3.431 8.224 526 HG11 VAL 64 1HG1 VAL 64 5.582 -2.076 6.170 527 HG12 VAL 64 2HG1 VAL 64 5.699 -1.024 7.583 528 HG13 VAL 64 3HG1 VAL 64 4.158 -1.205 6.741 529 HG21 VAL 64 1HG2 VAL 64 4.699 -1.722 9.785 530 HG22 VAL 64 2HG2 VAL 64 3.837 -3.255 9.930 531 HG23 VAL 64 3HG2 VAL 64 3.103 -1.914 9.051 532 H ALA 65 H ALA 65 5.748 -5.524 6.751 533 HA ALA 65 HA ALA 65 6.392 -4.821 4.093 534 HB1 ALA 65 1HB ALA 65 7.830 -6.797 4.038 535 HB2 ALA 65 2HB ALA 65 7.037 -7.444 5.482 536 HB3 ALA 65 3HB ALA 65 7.995 -5.968 5.590 537 H GLY 66 H GLY 66 4.234 -7.299 5.400 538 HA2 GLY 66 2HA GLY 66 3.703 -8.749 3.023 539 HA3 GLY 66 1HA GLY 66 2.678 -8.680 4.446 540 H TYR 67 H TYR 67 2.193 -5.904 4.479 541 HA TYR 67 HA TYR 67 0.047 -5.696 2.597 542 HB2 TYR 67 2HB TYR 67 1.159 -3.762 4.653 543 HB3 TYR 67 1HB TYR 67 -0.234 -3.380 3.639 544 HD1 TYR 67 HD1 TYR 67 -0.776 -6.746 4.086 545 HD2 TYR 67 HD2 TYR 67 -0.672 -3.165 6.408 546 HE1 TYR 67 HE1 TYR 67 -2.299 -7.758 5.706 547 HE2 TYR 67 HE2 TYR 67 -2.196 -4.175 8.002 548 HH TYR 67 HH TYR 67 -2.961 -7.517 8.017 549 H ILE 68 H ILE 68 3.209 -4.054 2.922 550 HA ILE 68 HA ILE 68 3.056 -2.294 0.742 551 HB ILE 68 HB ILE 68 5.556 -3.799 1.688 552 HG12 ILE 68 2HG1 ILE 68 4.568 -1.029 2.525 553 HG13 ILE 68 1HG1 ILE 68 4.497 -2.473 3.520 554 HG21 ILE 68 1HG2 ILE 68 6.850 -1.958 0.634 555 HG22 ILE 68 2HG2 ILE 68 5.350 -1.241 0.036 556 HG23 ILE 68 3HG2 ILE 68 5.873 -2.820 -0.555 557 HD11 ILE 68 1HD1 ILE 68 6.952 -2.572 3.540 558 HD12 ILE 68 2HD1 ILE 68 6.328 -1.062 4.200 559 HD13 ILE 68 3HD1 ILE 68 7.008 -1.094 2.573 560 H LYS 69 H LYS 69 4.290 -5.620 0.915 561 HA LYS 69 HA LYS 69 4.966 -6.160 -1.714 562 HB2 LYS 69 2HB LYS 69 5.417 -7.546 0.382 563 HB3 LYS 69 1HB LYS 69 3.771 -8.139 0.292 564 HG2 LYS 69 2HG LYS 69 5.714 -8.544 -1.996 565 HG3 LYS 69 1HG LYS 69 5.717 -9.620 -0.599 566 HD2 LYS 69 2HD LYS 69 3.343 -10.202 -1.053 567 HD3 LYS 69 1HD LYS 69 3.348 -9.123 -2.449 568 HE2 LYS 69 2HE LYS 69 5.189 -10.548 -3.433 569 HE3 LYS 69 1HE LYS 69 4.939 -11.685 -2.105 570 HZ1 LYS 69 1HZ LYS 69 2.658 -11.969 -2.828 571 HZ2 LYS 69 2HZ LYS 69 3.718 -12.331 -4.087 572 HZ3 LYS 69 3HZ LYS 69 2.881 -10.860 -4.085 573 H GLN 70 H GLN 70 1.846 -6.527 -0.054 574 HA GLN 70 HA GLN 70 0.440 -7.845 -2.088 575 HB2 GLN 70 2HB GLN 70 -0.291 -7.724 0.299 576 HB3 GLN 70 1HB GLN 70 -0.727 -6.031 0.069 577 HG2 GLN 70 2HG GLN 70 -2.456 -6.633 -1.521 578 HG3 GLN 70 1HG GLN 70 -1.942 -8.321 -1.511 579 HE21 GLN 70 1HE2 GLN 70 -3.910 -9.098 -0.871 580 HE22 GLN 70 2HE2 GLN 70 -4.578 -8.830 0.698 581 H THR 71 H THR 71 0.597 -4.327 -1.303 582 HA THR 71 HA THR 71 -1.161 -3.629 -3.479 583 HB THR 71 HB THR 71 -1.367 -2.053 -1.768 584 HG1 THR 71 HG1 THR 71 -1.282 -0.808 -3.537 585 HG21 THR 71 1HG2 THR 71 0.580 -2.543 -0.415 586 HG22 THR 71 2HG2 THR 71 0.471 -0.807 -0.691 587 HG23 THR 71 3HG2 THR 71 1.645 -1.774 -1.594 588 H LEU 72 H LEU 72 2.310 -4.101 -3.164 589 HA LEU 72 HA LEU 72 3.146 -2.755 -5.512 590 HB2 LEU 72 2HB LEU 72 4.312 -5.303 -4.313 591 HB3 LEU 72 1HB LEU 72 5.058 -4.383 -5.608 592 HG LEU 72 HG LEU 72 4.749 -3.592 -2.705 593 HD11 LEU 72 1HD1 LEU 72 6.684 -4.984 -3.206 594 HD12 LEU 72 2HD1 LEU 72 7.164 -3.363 -2.713 595 HD13 LEU 72 3HD1 LEU 72 7.228 -3.819 -4.419 596 HD21 LEU 72 1HD2 LEU 72 5.528 -1.772 -4.991 597 HD22 LEU 72 2HD2 LEU 72 5.734 -1.403 -3.277 598 HD23 LEU 72 3HD2 LEU 72 4.115 -1.637 -3.929 599 H ASP 73 H ASP 73 2.256 -6.202 -5.013 600 HA ASP 73 HA ASP 73 2.230 -7.043 -7.674 601 HB2 ASP 73 2HB ASP 73 0.634 -8.006 -5.266 602 HB3 ASP 73 1HB ASP 73 0.462 -8.772 -6.842 603 H ASN 74 H ASN 74 -0.581 -6.035 -5.727 604 HA ASN 74 HA ASN 74 -2.561 -6.361 -7.629 605 HB2 ASN 74 2HB ASN 74 -2.496 -4.368 -5.327 606 HB3 ASN 74 1HB ASN 74 -3.945 -4.809 -6.228 607 HD21 ASN 74 1HD2 ASN 74 -3.436 -5.059 -3.406 608 HD22 ASN 74 2HD2 ASN 74 -3.624 -6.730 -3.020 609 H GLU 75 H GLU 75 -0.888 -3.275 -6.802 610 HA GLU 75 HA GLU 75 -2.386 -1.787 -8.750 611 HB2 GLU 75 2HB GLU 75 -1.397 -0.820 -6.604 612 HB3 GLU 75 1HB GLU 75 0.171 -0.857 -7.406 613 HG2 GLU 75 2HG GLU 75 -1.196 0.498 -9.302 614 HG3 GLU 75 1HG GLU 75 -2.205 0.913 -7.920 615 H GLN 76 H GLN 76 0.837 -3.326 -8.744 616 HA GLN 76 HA GLN 76 1.796 -2.218 -11.186 617 HB2 GLN 76 2HB GLN 76 3.301 -3.365 -9.633 618 HB3 GLN 76 1HB GLN 76 2.419 -4.873 -9.827 619 HG2 GLN 76 2HG GLN 76 3.161 -4.995 -12.182 620 HG3 GLN 76 1HG GLN 76 4.049 -3.486 -11.976 621 HE21 GLN 76 1HE2 GLN 76 3.911 -6.010 -9.490 622 HE22 GLN 76 2HE2 GLN 76 5.567 -6.475 -9.623 623 H LEU 77 H LEU 77 -0.234 -5.019 -10.436 624 HA LEU 77 HA LEU 77 -0.445 -6.043 -13.086 625 HB2 LEU 77 2HB LEU 77 -2.262 -6.393 -10.671 626 HB3 LEU 77 1HB LEU 77 -2.441 -7.291 -12.173 627 HG LEU 77 HG LEU 77 -0.038 -7.434 -10.309 628 HD11 LEU 77 1HD1 LEU 77 -2.215 -9.480 -10.787 629 HD12 LEU 77 2HD1 LEU 77 -2.001 -8.497 -9.335 630 HD13 LEU 77 3HD1 LEU 77 -0.783 -9.693 -9.771 631 HD21 LEU 77 1HD2 LEU 77 0.742 -9.281 -11.725 632 HD22 LEU 77 2HD2 LEU 77 0.654 -7.768 -12.619 633 HD23 LEU 77 3HD2 LEU 77 -0.595 -8.996 -12.847 634 H LEU 78 H LEU 78 -2.330 -3.681 -11.179 635 HA LEU 78 HA LEU 78 -4.345 -3.088 -13.054 636 HB2 LEU 78 2HB LEU 78 -3.004 -1.219 -11.056 637 HB3 LEU 78 1HB LEU 78 -4.460 -0.819 -11.956 638 HG LEU 78 HG LEU 78 -4.163 -2.949 -9.807 639 HD11 LEU 78 1HD1 LEU 78 -4.408 -0.644 -8.975 640 HD12 LEU 78 2HD1 LEU 78 -5.808 -1.643 -8.585 641 HD13 LEU 78 3HD1 LEU 78 -5.905 -0.470 -9.902 642 HD21 LEU 78 1HD2 LEU 78 -5.569 -3.858 -11.557 643 HD22 LEU 78 2HD2 LEU 78 -6.543 -2.385 -11.594 644 HD23 LEU 78 3HD2 LEU 78 -6.555 -3.421 -10.167 645 H LYS 79 H LYS 79 -1.033 -1.873 -12.759 646 HA LYS 79 HA LYS 79 -1.188 0.078 -14.806 647 HB2 LYS 79 2HB LYS 79 1.211 -1.415 -13.676 648 HB3 LYS 79 1HB LYS 79 1.341 -0.062 -14.801 649 HG2 LYS 79 2HG LYS 79 0.137 0.043 -12.010 650 HG3 LYS 79 1HG LYS 79 1.712 0.683 -12.497 651 HD2 LYS 79 2HD LYS 79 0.567 2.261 -14.051 652 HD3 LYS 79 1HD LYS 79 -0.997 1.638 -13.516 653 HE2 LYS 79 2HE LYS 79 1.030 2.985 -11.703 654 HE3 LYS 79 1HE LYS 79 -0.363 3.785 -12.430 655 HZ1 LYS 79 1HZ LYS 79 -0.871 3.135 -10.192 656 HZ2 LYS 79 2HZ LYS 79 -0.444 1.530 -10.500 657 HZ3 LYS 79 3HZ LYS 79 -1.800 2.203 -11.254 658 H GLY 80 H GLY 80 -0.173 -3.316 -14.793 659 HA2 GLY 80 2HA GLY 80 0.562 -3.468 -17.546 660 HA3 GLY 80 1HA GLY 80 0.298 -4.812 -16.454 661 H LEU 81 H LEU 81 -2.482 -3.807 -15.875 662 HA LEU 81 HA LEU 81 -3.819 -5.239 -18.032 663 HB2 LEU 81 2HB LEU 81 -4.221 -5.541 -15.504 664 HB3 LEU 81 1HB LEU 81 -5.070 -4.014 -15.537 665 HG LEU 81 HG LEU 81 -5.966 -6.390 -17.228 666 HD11 LEU 81 1HD1 LEU 81 -6.909 -5.733 -14.416 667 HD12 LEU 81 2HD1 LEU 81 -5.928 -7.123 -14.886 668 HD13 LEU 81 3HD1 LEU 81 -7.579 -6.976 -15.480 669 HD21 LEU 81 1HD2 LEU 81 -8.172 -5.286 -17.215 670 HD22 LEU 81 2HD2 LEU 81 -6.939 -4.221 -17.887 671 HD23 LEU 81 3HD2 LEU 81 -7.515 -3.964 -16.239 672 H LEU 82 H LEU 82 -4.351 -2.127 -16.369 673 HA LEU 82 HA LEU 82 -6.434 -1.289 -18.126 674 HB2 LEU 82 2HB LEU 82 -4.847 0.356 -16.121 675 HB3 LEU 82 1HB LEU 82 -6.412 0.785 -16.799 676 HG LEU 82 HG LEU 82 -5.986 -1.688 -15.065 677 HD11 LEU 82 1HD1 LEU 82 -6.873 -0.435 -13.183 678 HD12 LEU 82 2HD1 LEU 82 -6.938 1.038 -14.156 679 HD13 LEU 82 3HD1 LEU 82 -5.382 0.293 -13.773 680 HD21 LEU 82 1HD2 LEU 82 -8.530 -0.203 -15.798 681 HD22 LEU 82 2HD2 LEU 82 -8.407 -1.626 -14.760 682 HD23 LEU 82 3HD2 LEU 82 -8.004 -1.754 -16.469 683 H GLN 83 H GLN 83 -3.029 -0.199 -17.749 684 HA GLN 83 HA GLN 83 -3.275 1.340 -20.284 685 HB2 GLN 83 2HB GLN 83 -1.761 2.084 -17.744 686 HB3 GLN 83 1HB GLN 83 -1.528 2.916 -19.277 687 HG2 GLN 83 2HG GLN 83 -4.172 2.769 -17.793 688 HG3 GLN 83 1HG GLN 83 -3.033 4.110 -17.689 689 HE21 GLN 83 1HE2 GLN 83 -4.484 5.624 -18.507 690 HE22 GLN 83 2HE2 GLN 83 -5.008 5.633 -20.157 691 H GLN 84 H GLN 84 -1.803 -1.301 -18.938 692 HA GLN 84 HA GLN 84 -0.156 -2.710 -19.521 693 HB2 GLN 84 2HB GLN 84 -1.092 -2.187 -21.834 694 HB3 GLN 84 1HB GLN 84 0.240 -1.065 -22.050 695 HG2 GLN 84 2HG GLN 84 1.843 -2.928 -21.868 696 HG3 GLN 84 1HG GLN 84 0.519 -4.055 -21.591 697 HE21 GLN 84 1HE2 GLN 84 -1.228 -2.790 -23.625 698 HE22 GLN 84 2HE2 GLN 84 -0.575 -3.267 -25.150 699 H ARG 85 H ARG 85 0.428 0.052 -18.212 700 HA ARG 85 HA ARG 85 3.207 -0.141 -17.723 701 HB2 ARG 85 2HB ARG 85 3.333 0.653 -20.111 702 HB3 ARG 85 1HB ARG 85 2.398 2.078 -19.682 703 HG2 ARG 85 2HG ARG 85 4.263 2.824 -18.205 704 HG3 ARG 85 1HG ARG 85 5.200 1.407 -18.696 705 HD2 ARG 85 2HD ARG 85 5.238 2.203 -21.015 706 HD3 ARG 85 1HD ARG 85 4.190 3.562 -20.591 707 HE ARG 85 HE ARG 85 6.801 3.305 -19.269 708 HH11 ARG 85 1HH1 ARG 85 4.797 5.079 -21.562 709 HH12 ARG 85 2HH1 ARG 85 5.863 6.446 -21.616 710 HH21 ARG 85 1HH2 ARG 85 8.149 5.127 -19.317 711 HH22 ARG 85 2HH2 ARG 85 7.755 6.469 -20.346 712 H LEU 86 H LEU 86 3.944 1.605 -16.240 713 HA LEU 86 HA LEU 86 2.179 2.897 -14.516 714 HB2 LEU 86 2HB LEU 86 4.981 3.679 -15.395 715 HB3 LEU 86 1HB LEU 86 4.134 4.500 -14.096 716 HG LEU 86 HG LEU 86 4.935 1.561 -14.065 717 HD11 LEU 86 1HD1 LEU 86 6.895 3.020 -13.984 718 HD12 LEU 86 2HD1 LEU 86 6.643 2.205 -12.443 719 HD13 LEU 86 3HD1 LEU 86 6.198 3.905 -12.621 720 HD21 LEU 86 1HD2 LEU 86 4.335 1.613 -11.680 721 HD22 LEU 86 2HD2 LEU 86 2.943 1.975 -12.695 722 HD23 LEU 86 3HD2 LEU 86 3.773 3.281 -11.849 723 H ASP 87 H ASP 87 0.662 4.410 -14.984 724 HA ASP 87 HA ASP 87 1.253 6.692 -16.678 725 HB2 ASP 87 2HB ASP 87 0.551 4.887 -18.300 726 HB3 ASP 87 1HB ASP 87 -0.996 4.781 -17.467 727 H GLU 88 H GLU 88 -1.867 5.166 -15.763 728 HA GLU 88 HA GLU 88 -2.474 7.481 -14.014 729 HB2 GLU 88 2HB GLU 88 -4.377 5.750 -15.645 730 HB3 GLU 88 1HB GLU 88 -4.899 6.979 -14.489 731 HG2 GLU 88 2HG GLU 88 -3.650 8.695 -15.849 732 HG3 GLU 88 1HG GLU 88 -3.316 7.437 -17.043 733 H LEU 89 H LEU 89 -4.241 6.908 -12.356 734 HA LEU 89 HA LEU 89 -4.511 6.165 -10.252 735 HB2 LEU 89 2HB LEU 89 -3.839 3.430 -11.417 736 HB3 LEU 89 1HB LEU 89 -4.538 3.697 -9.826 737 HG LEU 89 HG LEU 89 -5.889 4.285 -12.499 738 HD11 LEU 89 1HD1 LEU 89 -6.534 2.154 -10.444 739 HD12 LEU 89 2HD1 LEU 89 -5.744 1.890 -12.001 740 HD13 LEU 89 3HD1 LEU 89 -7.407 2.465 -11.953 741 HD21 LEU 89 1HD2 LEU 89 -6.597 5.920 -10.807 742 HD22 LEU 89 2HD2 LEU 89 -7.036 4.610 -9.707 743 HD23 LEU 89 3HD2 LEU 89 -7.906 4.821 -11.230 744 H SER 90 H SER 90 -2.064 7.306 -10.907 745 HA SER 90 HA SER 90 -0.403 6.457 -8.699 746 HB2 SER 90 2HB SER 90 1.678 6.159 -10.144 747 HB3 SER 90 1HB SER 90 0.474 4.885 -10.312 748 HG SER 90 HG SER 90 0.742 7.096 -12.081 749 H SER 91 H SER 91 -1.817 8.904 -10.103 750 HA SER 91 HA SER 91 0.318 10.841 -10.368 751 HB2 SER 91 2HB SER 91 -1.564 12.493 -10.587 752 HB3 SER 91 1HB SER 91 -1.714 11.135 -11.699 753 HG SER 91 HG SER 91 -3.168 11.645 -9.331 754 H LEU 92 H LEU 92 1.342 10.442 -8.352 755 HA LEU 92 HA LEU 92 -0.028 11.005 -5.840 756 HB2 LEU 92 2HB LEU 92 2.784 10.068 -6.493 757 HB3 LEU 92 1HB LEU 92 2.201 10.335 -4.860 758 HG LEU 92 HG LEU 92 1.164 8.243 -6.811 759 HD11 LEU 92 1HD1 LEU 92 3.328 7.655 -5.885 760 HD12 LEU 92 2HD1 LEU 92 2.078 6.633 -5.176 761 HD13 LEU 92 3HD1 LEU 92 2.754 7.974 -4.246 762 HD21 LEU 92 1HD2 LEU 92 -0.690 9.071 -5.468 763 HD22 LEU 92 2HD2 LEU 92 0.241 8.855 -3.983 764 HD23 LEU 92 3HD2 LEU 92 -0.243 7.452 -4.941 765 H ILE 93 H ILE 93 3.292 11.939 -6.634 766 HA ILE 93 HA ILE 93 2.870 14.686 -5.723 767 HB ILE 93 HB ILE 93 5.419 13.266 -6.658 768 HG12 ILE 93 2HG1 ILE 93 4.442 13.801 -3.814 769 HG13 ILE 93 1HG1 ILE 93 4.431 12.235 -4.615 770 HG21 ILE 93 1HG2 ILE 93 5.132 15.921 -5.199 771 HG22 ILE 93 2HG2 ILE 93 5.610 15.714 -6.884 772 HG23 ILE 93 3HG2 ILE 93 6.658 15.123 -5.593 773 HD11 ILE 93 1HD1 ILE 93 6.884 13.827 -3.870 774 HD12 ILE 93 2HD1 ILE 93 6.877 12.265 -4.697 775 HD13 ILE 93 3HD1 ILE 93 6.258 12.396 -3.053 776 H GLY 94 H GLY 94 3.747 12.819 -8.579 777 HA2 GLY 94 2HA GLY 94 2.442 14.438 -10.466 778 HA3 GLY 94 1HA GLY 94 4.158 14.861 -10.477 779 H GLN 95 H GLN 95 5.538 12.722 -10.201 780 HA GLN 95 HA GLN 95 5.070 11.084 -12.547 781 HB2 GLN 95 2HB GLN 95 7.300 10.160 -12.082 782 HB3 GLN 95 1HB GLN 95 7.346 11.916 -11.975 783 HG2 GLN 95 2HG GLN 95 7.248 11.742 -9.496 784 HG3 GLN 95 1HG GLN 95 7.262 9.987 -9.636 785 HE21 GLN 95 1HE2 GLN 95 9.196 9.833 -8.437 786 HE22 GLN 95 2HE2 GLN 95 10.721 10.296 -9.097 787 H SER 96 H SER 96 5.620 8.662 -12.249 788 HA SER 96 HA SER 96 3.688 7.439 -10.462 789 HB2 SER 96 2HB SER 96 4.374 5.357 -11.756 790 HB3 SER 96 1HB SER 96 3.765 6.671 -12.763 791 HG SER 96 HG SER 96 6.465 5.872 -12.373 792 H THR 97 H THR 97 5.422 8.519 -8.803 793 HA THR 97 HA THR 97 7.857 7.174 -8.252 794 HB THR 97 HB THR 97 7.435 9.544 -7.649 795 HG1 THR 97 HG1 THR 97 8.073 7.891 -5.401 796 HG21 THR 97 1HG2 THR 97 5.619 8.466 -5.457 797 HG22 THR 97 2HG2 THR 97 5.099 9.400 -6.864 798 HG23 THR 97 3HG2 THR 97 6.135 10.144 -5.644 799 H ARG 98 H ARG 98 4.710 6.178 -7.640 800 HA ARG 98 HA ARG 98 4.537 5.187 -5.089 801 HB2 ARG 98 2HB ARG 98 2.830 5.278 -7.125 802 HB3 ARG 98 1HB ARG 98 3.373 3.639 -7.435 803 HG2 ARG 98 2HG ARG 98 2.155 4.573 -4.813 804 HG3 ARG 98 1HG ARG 98 1.238 3.840 -6.128 805 HD2 ARG 98 2HD ARG 98 3.473 2.493 -4.568 806 HD3 ARG 98 1HD ARG 98 1.741 2.221 -4.347 807 HE ARG 98 HE ARG 98 2.640 1.741 -7.038 808 HH11 ARG 98 1HH1 ARG 98 2.141 0.284 -3.885 809 HH12 ARG 98 2HH1 ARG 98 2.073 -1.321 -4.507 810 HH21 ARG 98 1HH2 ARG 98 2.563 -0.386 -7.841 811 HH22 ARG 98 2HH2 ARG 98 2.311 -1.708 -6.752 812 H GLN 99 H GLN 99 5.775 3.503 -7.977 813 HA GLN 99 HA GLN 99 6.242 0.970 -6.894 814 HB2 GLN 99 2HB GLN 99 6.175 1.549 -9.344 815 HB3 GLN 99 1HB GLN 99 7.741 2.324 -9.189 816 HG2 GLN 99 2HG GLN 99 7.360 -0.607 -8.531 817 HG3 GLN 99 1HG GLN 99 7.627 -0.073 -10.185 818 HE21 GLN 99 1HE2 GLN 99 9.282 -1.818 -8.494 819 HE22 GLN 99 2HE2 GLN 99 10.845 -1.082 -8.438 820 H LYS 100 H LYS 100 8.497 3.695 -7.357 821 HA LYS 100 HA LYS 100 10.779 2.441 -6.275 822 HB2 LYS 100 2HB LYS 100 10.976 4.331 -7.801 823 HB3 LYS 100 1HB LYS 100 10.141 5.391 -6.669 824 HG2 LYS 100 2HG LYS 100 12.007 5.260 -5.098 825 HG3 LYS 100 1HG LYS 100 12.822 4.065 -6.113 826 HD2 LYS 100 2HD LYS 100 13.074 5.753 -7.906 827 HD3 LYS 100 1HD LYS 100 12.238 6.949 -6.908 828 HE2 LYS 100 2HE LYS 100 14.731 7.190 -6.868 829 HE3 LYS 100 1HE LYS 100 14.031 6.913 -5.273 830 HZ1 LYS 100 1HZ LYS 100 15.170 4.734 -6.927 831 HZ2 LYS 100 2HZ LYS 100 14.770 4.684 -5.284 832 HZ3 LYS 100 3HZ LYS 100 16.080 5.611 -5.811 833 H SER 101 H SER 101 8.453 4.732 -4.844 834 HA SER 101 HA SER 101 9.798 5.229 -2.449 835 HB2 SER 101 2HB SER 101 6.817 5.404 -3.040 836 HB3 SER 101 1HB SER 101 7.626 6.149 -1.656 837 HG SER 101 HG SER 101 8.058 7.753 -2.918 838 H LEU 102 H LEU 102 7.272 2.815 -3.230 839 HA LEU 102 HA LEU 102 7.168 1.780 -0.532 840 HB2 LEU 102 2HB LEU 102 5.842 0.997 -3.124 841 HB3 LEU 102 1HB LEU 102 5.809 -0.114 -1.766 842 HG LEU 102 HG LEU 102 4.712 1.697 -0.384 843 HD11 LEU 102 1HD1 LEU 102 5.400 3.654 -1.660 844 HD12 LEU 102 2HD1 LEU 102 3.649 3.583 -1.485 845 HD13 LEU 102 3HD1 LEU 102 4.401 3.137 -3.020 846 HD21 LEU 102 1HD2 LEU 102 2.482 1.354 -1.342 847 HD22 LEU 102 2HD2 LEU 102 3.423 -0.135 -1.346 848 HD23 LEU 102 3HD2 LEU 102 3.207 0.773 -2.845 849 H ASN 103 H ASN 103 8.789 0.780 -3.548 850 HA ASN 103 HA ASN 103 9.614 -1.800 -2.622 851 HB2 ASN 103 2HB ASN 103 9.513 -1.194 -5.043 852 HB3 ASN 103 1HB ASN 103 10.838 -0.061 -4.808 853 HD21 ASN 103 1HD2 ASN 103 9.948 -3.437 -4.947 854 HD22 ASN 103 2HD2 ASN 103 11.551 -4.055 -5.137 855 H ASN 104 H ASN 104 11.061 1.413 -2.545 856 HA ASN 104 HA ASN 104 13.565 0.633 -1.381 857 HB2 ASN 104 2HB ASN 104 12.235 3.357 -1.680 858 HB3 ASN 104 1HB ASN 104 13.808 3.140 -0.926 859 HD21 ASN 104 1HD2 ASN 104 12.760 1.297 -3.788 860 HD22 ASN 104 2HD2 ASN 104 13.866 2.046 -4.871 861 H ALA 105 H ALA 105 10.431 1.845 -0.196 862 HA ALA 105 HA ALA 105 11.030 2.037 2.551 863 HB1 ALA 105 1HB ALA 105 8.598 1.840 2.930 864 HB2 ALA 105 2HB ALA 105 8.373 1.303 1.262 865 HB3 ALA 105 3HB ALA 105 8.943 2.941 1.594 866 H TYR 106 H TYR 106 10.100 -0.712 0.537 867 HA TYR 106 HA TYR 106 9.824 -2.649 2.596 868 HB2 TYR 106 2HB TYR 106 9.062 -2.732 0.075 869 HB3 TYR 106 1HB TYR 106 10.687 -3.310 -0.248 870 HD1 TYR 106 HD1 TYR 106 11.385 -5.392 1.493 871 HD2 TYR 106 HD2 TYR 106 7.426 -4.376 0.250 872 HE1 TYR 106 HE1 TYR 106 10.641 -7.682 1.973 873 HE2 TYR 106 HE2 TYR 106 6.693 -6.649 0.741 874 HH TYR 106 HH TYR 106 8.473 -8.831 2.542 875 H GLY 107 H GLY 107 12.521 -1.613 0.515 876 HA2 GLY 107 2HA GLY 107 14.496 -3.424 1.440 877 HA3 GLY 107 1HA GLY 107 14.784 -1.905 0.615 878 H ARG 108 H ARG 108 13.442 -0.281 2.636 879 HA ARG 108 HA ARG 108 15.566 0.155 4.512 880 HB2 ARG 108 2HB ARG 108 12.749 1.304 4.305 881 HB3 ARG 108 1HB ARG 108 13.918 1.831 5.513 882 HG2 ARG 108 2HG ARG 108 15.365 2.753 3.842 883 HG3 ARG 108 1HG ARG 108 14.431 2.022 2.534 884 HD2 ARG 108 2HD ARG 108 13.956 4.435 2.764 885 HD3 ARG 108 1HD ARG 108 12.517 3.453 3.053 886 HE ARG 108 HE ARG 108 13.554 3.850 5.554 887 HH11 ARG 108 1HH1 ARG 108 12.606 6.070 2.984 888 HH12 ARG 108 2HH1 ARG 108 12.178 7.340 4.088 889 HH21 ARG 108 1HH2 ARG 108 12.990 5.521 6.976 890 HH22 ARG 108 2HH2 ARG 108 12.396 7.027 6.347 891 H LEU 109 H LEU 109 12.317 -1.237 4.621 892 HA LEU 109 HA LEU 109 12.150 -1.683 7.421 893 HB2 LEU 109 2HB LEU 109 10.195 -1.538 5.879 894 HB3 LEU 109 1HB LEU 109 10.667 -3.067 5.160 895 HG LEU 109 HG LEU 109 10.191 -4.247 7.288 896 HD11 LEU 109 1HD1 LEU 109 9.103 -3.111 9.174 897 HD12 LEU 109 2HD1 LEU 109 9.328 -1.549 8.378 898 HD13 LEU 109 3HD1 LEU 109 10.728 -2.490 8.898 899 HD21 LEU 109 1HD2 LEU 109 7.887 -2.494 6.400 900 HD22 LEU 109 2HD2 LEU 109 7.763 -4.023 7.276 901 HD23 LEU 109 3HD2 LEU 109 8.402 -3.999 5.635 902 H SER 110 H SER 110 12.999 -3.752 4.687 903 HA SER 110 HA SER 110 13.599 -6.115 6.095 904 HB2 SER 110 2HB SER 110 13.101 -6.048 3.656 905 HB3 SER 110 1HB SER 110 14.600 -5.167 3.368 906 HG SER 110 HG SER 110 15.731 -6.996 4.146 907 H GLY 111 H GLY 111 15.526 -3.232 5.221 908 HA2 GLY 111 2HA GLY 111 18.068 -4.451 5.853 909 HA3 GLY 111 1HA GLY 111 17.770 -2.755 5.508 910 H MET 112 H MET 112 16.577 -1.521 7.369 911 HA MET 112 HA MET 112 17.671 -2.370 9.979 912 HB2 MET 112 2HB MET 112 16.779 0.266 8.809 913 HB3 MET 112 1HB MET 112 16.726 0.070 10.552 914 HG2 MET 112 2HG MET 112 19.236 -0.460 8.979 915 HG3 MET 112 1HG MET 112 18.810 1.151 9.547 916 HE1 MET 112 1HE MET 112 18.821 0.691 13.434 917 HE2 MET 112 2HE MET 112 17.432 0.584 12.352 918 HE3 MET 112 3HE MET 112 18.648 1.839 12.107 919 H LEU 113 H LEU 113 14.722 -0.583 9.100 920 HA LEU 113 HA LEU 113 12.681 -2.293 9.620 921 HB2 LEU 113 2HB LEU 113 11.927 -1.389 12.002 922 HB3 LEU 113 1HB LEU 113 13.001 -2.761 11.880 923 HG LEU 113 HG LEU 113 14.926 -1.397 12.551 924 HD11 LEU 113 1HD1 LEU 113 13.061 0.975 12.679 925 HD12 LEU 113 2HD1 LEU 113 14.369 0.733 11.521 926 HD13 LEU 113 3HD1 LEU 113 14.740 0.946 13.233 927 HD21 LEU 113 1HD2 LEU 113 12.563 -0.960 14.406 928 HD22 LEU 113 2HD2 LEU 113 14.273 -0.895 14.854 929 HD23 LEU 113 3HD2 LEU 113 13.566 -2.414 14.313 930 H LEU 114 H LEU 114 13.488 -0.003 8.078 931 HA LEU 114 HA LEU 114 12.380 1.420 6.760 932 HB2 LEU 114 2HB LEU 114 10.436 -0.027 7.123 933 HB3 LEU 114 1HB LEU 114 9.995 0.883 8.547 934 HG LEU 114 HG LEU 114 9.238 2.754 7.246 935 HD11 LEU 114 1HD1 LEU 114 9.445 2.928 4.815 936 HD12 LEU 114 2HD1 LEU 114 10.433 1.465 4.784 937 HD13 LEU 114 3HD1 LEU 114 11.021 2.914 5.601 938 HD21 LEU 114 1HD2 LEU 114 7.683 0.856 7.341 939 HD22 LEU 114 2HD2 LEU 114 8.353 0.216 5.838 940 HD23 LEU 114 3HD2 LEU 114 7.492 1.759 5.837 941 H VAL 115 H VAL 115 13.022 2.125 9.978 942 HA VAL 115 HA VAL 115 11.855 4.775 10.051 943 HB VAL 115 HB VAL 115 13.936 3.607 11.950 944 HG11 VAL 115 1HG1 VAL 115 13.965 6.062 12.066 945 HG12 VAL 115 2HG1 VAL 115 13.230 5.394 13.524 946 HG13 VAL 115 3HG1 VAL 115 12.208 6.097 12.267 947 HG21 VAL 115 1HG2 VAL 115 12.019 3.201 13.450 948 HG22 VAL 115 2HG2 VAL 115 11.849 2.315 11.935 949 HG23 VAL 115 3HG2 VAL 115 10.911 3.788 12.209 950 HA PRO 116 HA PRO 116 16.095 6.364 8.591 951 HB2 PRO 116 2HB PRO 116 18.339 4.857 8.434 952 HB3 PRO 116 1HB PRO 116 17.795 5.530 9.987 953 HG2 PRO 116 2HG PRO 116 17.565 2.734 8.961 954 HG3 PRO 116 1HG PRO 116 17.874 3.309 10.613 955 HD2 PRO 116 2HD PRO 116 15.369 2.482 9.617 956 HD3 PRO 116 1HD PRO 116 15.637 3.413 11.103 957 H ASP 117 H ASP 117 17.069 6.485 6.463 958 HA ASP 117 HA ASP 117 15.758 4.853 4.464 959 HB2 ASP 117 2HB ASP 117 16.680 6.355 2.816 960 HB3 ASP 117 1HB ASP 117 16.085 7.322 4.160 961 H ALA 118 H ALA 118 18.908 5.106 5.949 962 HA ALA 118 HA ALA 118 20.335 3.390 4.146 963 HB1 ALA 118 1HB ALA 118 20.986 4.232 7.003 964 HB2 ALA 118 2HB ALA 118 21.502 5.061 5.534 965 HB3 ALA 118 3HB ALA 118 22.106 3.442 5.885 966 HA PRO 119 HA PRO 119 18.932 -0.539 5.951 967 HB2 PRO 119 2HB PRO 119 20.729 -2.256 4.845 968 HB3 PRO 119 1HB PRO 119 19.523 -1.419 3.840 969 HG2 PRO 119 2HG PRO 119 22.418 -0.712 4.278 970 HG3 PRO 119 1HG PRO 119 21.500 -0.779 2.755 971 HD2 PRO 119 2HD PRO 119 21.956 1.570 4.103 972 HD3 PRO 119 1HD PRO 119 20.518 1.305 3.093 973 H GLY 120 H GLY 120 20.096 -2.529 7.050 974 HA2 GLY 120 2HA GLY 120 22.492 -2.172 8.531 975 HA3 GLY 120 1HA GLY 120 21.097 -1.743 9.528 976 H ALA 121 H ALA 121 20.666 -3.433 10.849 977 HA ALA 121 HA ALA 121 19.768 -5.928 9.719 978 HB1 ALA 121 1HB ALA 121 22.169 -6.025 11.601 979 HB2 ALA 121 2HB ALA 121 22.192 -6.425 9.883 980 HB3 ALA 121 3HB ALA 121 21.264 -7.421 11.006 981 H SER 122 H SER 122 18.417 -7.050 11.137 982 HA SER 122 HA SER 122 18.005 -6.200 13.882 983 HB2 SER 122 2HB SER 122 16.705 -4.468 12.703 984 HB3 SER 122 1HB SER 122 15.877 -5.688 11.735 985 HG SER 122 HG SER 122 14.572 -6.073 13.349 Start of MODEL 11 1 H1 MET 1 1H MET 1 2.717 3.592 21.407 2 H2 MET 1 2H MET 1 3.512 2.187 21.884 3 H3 MET 1 3H MET 1 1.830 2.199 21.757 4 HA MET 1 HA MET 1 3.724 2.571 19.524 5 HB2 MET 1 2HB MET 1 3.131 0.306 18.795 6 HB3 MET 1 1HB MET 1 3.790 0.259 20.422 7 HG2 MET 1 2HG MET 1 1.577 -0.062 21.367 8 HG3 MET 1 1HG MET 1 0.827 0.164 19.787 9 HE1 MET 1 1HE MET 1 2.884 -1.550 17.894 10 HE2 MET 1 2HE MET 1 1.127 -1.589 17.745 11 HE3 MET 1 3HE MET 1 2.035 -3.092 17.893 12 H THR 2 H THR 2 1.346 4.232 20.264 13 HA THR 2 HA THR 2 -0.945 3.485 18.793 14 HB THR 2 HB THR 2 -0.084 6.299 19.614 15 HG1 THR 2 HG1 THR 2 -1.261 4.150 21.011 16 HG21 THR 2 1HG2 THR 2 -2.511 6.811 19.668 17 HG22 THR 2 2HG2 THR 2 -2.874 5.200 19.045 18 HG23 THR 2 3HG2 THR 2 -1.999 6.356 18.040 19 H SER 3 H SER 3 1.858 5.530 17.905 20 HA SER 3 HA SER 3 0.983 6.308 15.326 21 HB2 SER 3 2HB SER 3 3.869 5.933 16.237 22 HB3 SER 3 1HB SER 3 3.294 6.973 14.930 23 HG SER 3 HG SER 3 2.345 8.306 16.416 24 H THR 4 H THR 4 2.719 3.463 16.545 25 HA THR 4 HA THR 4 3.456 2.305 14.075 26 HB THR 4 HB THR 4 2.982 0.848 16.723 27 HG1 THR 4 HG1 THR 4 5.538 1.165 16.324 28 HG21 THR 4 1HG2 THR 4 4.664 0.079 14.300 29 HG22 THR 4 2HG2 THR 4 3.170 -0.715 14.810 30 HG23 THR 4 3HG2 THR 4 4.612 -0.800 15.825 31 H VAL 5 H VAL 5 0.662 1.639 16.233 32 HA VAL 5 HA VAL 5 -0.581 -0.355 14.686 33 HB VAL 5 HB VAL 5 -1.931 1.651 16.567 34 HG11 VAL 5 1HG1 VAL 5 -3.737 -0.028 16.798 35 HG12 VAL 5 2HG1 VAL 5 -2.945 -1.058 15.604 36 HG13 VAL 5 3HG1 VAL 5 -3.583 0.516 15.124 37 HG21 VAL 5 1HG2 VAL 5 -0.131 0.390 17.704 38 HG22 VAL 5 2HG2 VAL 5 -0.874 -1.130 17.207 39 HG23 VAL 5 3HG2 VAL 5 -1.722 -0.057 18.325 40 H GLU 6 H GLU 6 -0.894 3.178 14.713 41 HA GLU 6 HA GLU 6 -2.918 3.452 12.777 42 HB2 GLU 6 2HB GLU 6 -1.464 5.197 14.417 43 HB3 GLU 6 1HB GLU 6 -0.900 5.649 12.821 44 HG2 GLU 6 2HG GLU 6 -3.790 5.620 13.745 45 HG3 GLU 6 1HG GLU 6 -2.772 7.045 13.595 46 H PHE 7 H PHE 7 0.618 3.220 12.500 47 HA PHE 7 HA PHE 7 0.832 3.869 9.733 48 HB2 PHE 7 2HB PHE 7 2.666 4.073 11.467 49 HB3 PHE 7 1HB PHE 7 2.824 2.324 11.457 50 HD1 PHE 7 HD1 PHE 7 2.846 5.229 9.047 51 HD2 PHE 7 HD2 PHE 7 4.525 1.426 10.089 52 HE1 PHE 7 HE1 PHE 7 4.497 5.460 7.239 53 HE2 PHE 7 HE2 PHE 7 6.167 1.669 8.276 54 HZ PHE 7 HZ PHE 7 6.157 3.682 6.853 55 H ILE 8 H ILE 8 0.719 0.779 11.500 56 HA ILE 8 HA ILE 8 0.902 -1.028 9.347 57 HB ILE 8 HB ILE 8 -0.687 -1.361 11.952 58 HG12 ILE 8 2HG1 ILE 8 2.156 -2.319 11.354 59 HG13 ILE 8 1HG1 ILE 8 1.778 -0.881 12.287 60 HG21 ILE 8 1HG2 ILE 8 0.283 -3.502 10.012 61 HG22 ILE 8 2HG2 ILE 8 -1.395 -3.012 10.261 62 HG23 ILE 8 3HG2 ILE 8 -0.504 -3.809 11.560 63 HD11 ILE 8 1HD1 ILE 8 0.654 -2.278 13.965 64 HD12 ILE 8 2HD1 ILE 8 2.349 -2.709 13.745 65 HD13 ILE 8 3HD1 ILE 8 1.087 -3.718 13.038 66 H ASN 9 H ASN 9 -1.812 0.695 10.857 67 HA ASN 9 HA ASN 9 -3.929 -0.429 9.347 68 HB2 ASN 9 2HB ASN 9 -4.149 0.751 11.570 69 HB3 ASN 9 1HB ASN 9 -3.871 2.278 10.746 70 HD21 ASN 9 1HD2 ASN 9 -5.851 -0.444 9.559 71 HD22 ASN 9 2HD2 ASN 9 -7.347 0.417 9.619 72 H ARG 10 H ARG 10 -1.730 2.217 8.747 73 HA ARG 10 HA ARG 10 -3.068 3.364 6.491 74 HB2 ARG 10 2HB ARG 10 -0.153 3.436 7.363 75 HB3 ARG 10 1HB ARG 10 -0.787 4.365 6.014 76 HG2 ARG 10 2HG ARG 10 -2.216 5.653 7.479 77 HG3 ARG 10 1HG ARG 10 -1.796 4.633 8.851 78 HD2 ARG 10 2HD ARG 10 0.653 5.413 8.416 79 HD3 ARG 10 1HD ARG 10 -0.091 6.687 7.439 80 HE ARG 10 HE ARG 10 -1.411 7.231 9.520 81 HH11 ARG 10 1HH1 ARG 10 1.794 5.833 9.773 82 HH12 ARG 10 2HH1 ARG 10 2.094 6.511 11.337 83 HH21 ARG 10 1HH2 ARG 10 -1.031 8.062 11.562 84 HH22 ARG 10 2HH2 ARG 10 0.487 7.784 12.361 85 H TRP 11 H TRP 11 -0.539 0.876 6.874 86 HA TRP 11 HA TRP 11 -0.383 0.300 4.056 87 HB2 TRP 11 2HB TRP 11 0.600 -1.233 6.489 88 HB3 TRP 11 1HB TRP 11 0.873 -1.772 4.830 89 HD1 TRP 11 HD1 TRP 11 2.497 0.271 7.430 90 HE1 TRP 11 HE1 TRP 11 4.400 1.658 6.426 91 HE3 TRP 11 HE3 TRP 11 1.376 -0.196 2.454 92 HZ2 TRP 11 HZ2 TRP 11 5.321 2.486 3.919 93 HZ3 TRP 11 HZ3 TRP 11 2.821 0.945 0.812 94 HH2 TRP 11 HH2 TRP 11 4.756 2.260 1.534 95 H GLN 12 H GLN 12 -2.455 -0.817 6.657 96 HA GLN 12 HA GLN 12 -3.683 -2.988 5.268 97 HB2 GLN 12 2HB GLN 12 -4.797 -1.169 7.468 98 HB3 GLN 12 1HB GLN 12 -5.600 -2.622 6.878 99 HG2 GLN 12 2HG GLN 12 -3.695 -3.982 7.669 100 HG3 GLN 12 1HG GLN 12 -2.906 -2.535 8.266 101 HE21 GLN 12 1HE2 GLN 12 -5.491 -4.814 8.809 102 HE22 GLN 12 2HE2 GLN 12 -5.839 -4.321 10.426 103 H ARG 13 H ARG 13 -4.233 0.498 5.468 104 HA ARG 13 HA ARG 13 -6.616 0.744 4.014 105 HB2 ARG 13 2HB ARG 13 -5.680 2.546 5.401 106 HB3 ARG 13 1HB ARG 13 -4.281 2.673 4.351 107 HG2 ARG 13 2HG ARG 13 -5.749 4.528 3.917 108 HG3 ARG 13 1HG ARG 13 -5.764 3.464 2.511 109 HD2 ARG 13 2HD ARG 13 -7.938 2.564 3.180 110 HD3 ARG 13 1HD ARG 13 -7.905 3.522 4.670 111 HE ARG 13 HE ARG 13 -7.628 5.119 2.297 112 HH11 ARG 13 1HH1 ARG 13 -10.054 3.589 4.336 113 HH12 ARG 13 2HH1 ARG 13 -11.305 4.694 3.865 114 HH21 ARG 13 1HH2 ARG 13 -9.246 6.600 1.765 115 HH22 ARG 13 2HH2 ARG 13 -10.844 6.405 2.405 116 H ILE 14 H ILE 14 -3.204 1.078 2.889 117 HA ILE 14 HA ILE 14 -3.860 1.480 0.141 118 HB ILE 14 HB ILE 14 -1.190 0.455 1.239 119 HG12 ILE 14 2HG1 ILE 14 -2.054 3.357 0.775 120 HG13 ILE 14 1HG1 ILE 14 -1.839 2.600 2.350 121 HG21 ILE 14 1HG2 ILE 14 -1.429 0.213 -1.218 122 HG22 ILE 14 2HG2 ILE 14 -0.201 1.408 -0.812 123 HG23 ILE 14 3HG2 ILE 14 -1.796 1.932 -1.358 124 HD11 ILE 14 1HD1 ILE 14 0.357 3.012 0.317 125 HD12 ILE 14 2HD1 ILE 14 0.537 2.350 1.944 126 HD13 ILE 14 3HD1 ILE 14 0.045 4.025 1.723 127 H ALA 15 H ALA 15 -2.937 -1.444 2.017 128 HA ALA 15 HA ALA 15 -2.676 -3.273 -0.101 129 HB1 ALA 15 1HB ALA 15 -2.932 -5.042 1.584 130 HB2 ALA 15 2HB ALA 15 -3.559 -3.865 2.746 131 HB3 ALA 15 3HB ALA 15 -1.891 -3.750 2.182 132 H LEU 16 H LEU 16 -5.483 -2.472 1.880 133 HA LEU 16 HA LEU 16 -7.240 -4.444 0.762 134 HB2 LEU 16 2HB LEU 16 -7.843 -1.978 2.438 135 HB3 LEU 16 1HB LEU 16 -9.074 -3.128 1.942 136 HG LEU 16 HG LEU 16 -6.711 -3.754 3.762 137 HD11 LEU 16 1HD1 LEU 16 -8.361 -2.324 4.863 138 HD12 LEU 16 2HD1 LEU 16 -8.392 -3.945 5.548 139 HD13 LEU 16 3HD1 LEU 16 -9.657 -3.441 4.427 140 HD21 LEU 16 1HD2 LEU 16 -9.015 -5.545 2.915 141 HD22 LEU 16 2HD2 LEU 16 -7.790 -5.940 4.123 142 HD23 LEU 16 3HD2 LEU 16 -7.324 -5.722 2.439 143 H LEU 17 H LEU 17 -6.828 -0.925 0.263 144 HA LEU 17 HA LEU 17 -8.965 -0.588 -1.549 145 HB2 LEU 17 2HB LEU 17 -6.433 1.041 -1.152 146 HB3 LEU 17 1HB LEU 17 -7.673 1.496 -2.308 147 HG LEU 17 HG LEU 17 -8.003 1.350 0.717 148 HD11 LEU 17 1HD1 LEU 17 -6.758 3.321 -0.047 149 HD12 LEU 17 2HD1 LEU 17 -8.343 3.783 0.566 150 HD13 LEU 17 3HD1 LEU 17 -8.053 3.728 -1.177 151 HD21 LEU 17 1HD2 LEU 17 -10.064 0.583 -0.362 152 HD22 LEU 17 2HD2 LEU 17 -10.089 2.016 -1.392 153 HD23 LEU 17 3HD2 LEU 17 -10.299 2.177 0.353 154 H SER 18 H SER 18 -5.456 -1.058 -2.190 155 HA SER 18 HA SER 18 -5.581 -1.040 -4.999 156 HB2 SER 18 2HB SER 18 -3.352 -2.087 -4.925 157 HB3 SER 18 1HB SER 18 -3.474 -0.814 -3.708 158 HG SER 18 HG SER 18 -3.102 -2.241 -2.246 159 H GLN 19 H GLN 19 -5.892 -3.698 -2.643 160 HA GLN 19 HA GLN 19 -5.958 -5.870 -4.431 161 HB2 GLN 19 2HB GLN 19 -5.695 -6.056 -1.937 162 HB3 GLN 19 1HB GLN 19 -7.393 -5.641 -1.748 163 HG2 GLN 19 2HG GLN 19 -7.060 -8.058 -1.524 164 HG3 GLN 19 1HG GLN 19 -8.036 -7.708 -2.952 165 HE21 GLN 19 1HE2 GLN 19 -4.888 -8.706 -1.814 166 HE22 GLN 19 2HE2 GLN 19 -4.331 -9.377 -3.306 167 H SER 20 H SER 20 -8.600 -3.948 -2.997 168 HA SER 20 HA SER 20 -10.761 -5.154 -4.295 169 HB2 SER 20 2HB SER 20 -10.452 -2.265 -3.373 170 HB3 SER 20 1HB SER 20 -11.981 -3.020 -3.836 171 HG SER 20 HG SER 20 -10.404 -3.416 -1.571 172 H LEU 21 H LEU 21 -8.750 -2.372 -5.281 173 HA LEU 21 HA LEU 21 -10.176 -1.685 -7.617 174 HB2 LEU 21 2HB LEU 21 -7.272 -1.100 -6.891 175 HB3 LEU 21 1HB LEU 21 -8.152 -0.333 -8.202 176 HG LEU 21 HG LEU 21 -8.695 -0.014 -5.227 177 HD11 LEU 21 1HD1 LEU 21 -6.754 1.253 -5.986 178 HD12 LEU 21 2HD1 LEU 21 -8.077 2.340 -5.572 179 HD13 LEU 21 3HD1 LEU 21 -7.712 2.002 -7.267 180 HD21 LEU 21 1HD2 LEU 21 -10.251 1.161 -7.542 181 HD22 LEU 21 2HD2 LEU 21 -10.458 1.585 -5.844 182 HD23 LEU 21 3HD2 LEU 21 -10.829 -0.046 -6.390 183 H LEU 22 H LEU 22 -7.560 -3.958 -6.989 184 HA LEU 22 HA LEU 22 -6.812 -4.504 -9.675 185 HB2 LEU 22 2HB LEU 22 -5.346 -5.131 -7.807 186 HB3 LEU 22 1HB LEU 22 -6.570 -6.221 -7.170 187 HG LEU 22 HG LEU 22 -6.340 -7.638 -9.250 188 HD11 LEU 22 1HD1 LEU 22 -5.536 -5.953 -10.819 189 HD12 LEU 22 2HD1 LEU 22 -4.427 -7.320 -10.749 190 HD13 LEU 22 3HD1 LEU 22 -4.016 -5.811 -9.930 191 HD21 LEU 22 1HD2 LEU 22 -4.224 -8.686 -8.640 192 HD22 LEU 22 2HD2 LEU 22 -5.135 -8.237 -7.200 193 HD23 LEU 22 3HD2 LEU 22 -3.757 -7.259 -7.712 194 H GLU 23 H GLU 23 -8.853 -6.278 -7.352 195 HA GLU 23 HA GLU 23 -9.807 -8.310 -8.987 196 HB2 GLU 23 2HB GLU 23 -11.225 -6.916 -6.675 197 HB3 GLU 23 1HB GLU 23 -11.716 -8.460 -7.367 198 HG2 GLU 23 2HG GLU 23 -9.633 -9.505 -6.626 199 HG3 GLU 23 1HG GLU 23 -9.032 -7.955 -6.038 200 H LEU 24 H LEU 24 -11.223 -5.146 -8.307 201 HA LEU 24 HA LEU 24 -13.577 -5.395 -9.826 202 HB2 LEU 24 2HB LEU 24 -12.102 -2.909 -8.857 203 HB3 LEU 24 1HB LEU 24 -13.723 -2.896 -9.535 204 HG LEU 24 HG LEU 24 -12.929 -4.345 -6.976 205 HD11 LEU 24 1HD1 LEU 24 -14.148 -2.608 -5.759 206 HD12 LEU 24 2HD1 LEU 24 -14.445 -1.741 -7.266 207 HD13 LEU 24 3HD1 LEU 24 -12.797 -1.927 -6.666 208 HD21 LEU 24 1HD2 LEU 24 -15.675 -3.931 -8.188 209 HD22 LEU 24 2HD2 LEU 24 -15.337 -4.662 -6.617 210 HD23 LEU 24 3HD2 LEU 24 -14.789 -5.457 -8.090 211 H ALA 25 H ALA 25 -10.336 -4.123 -10.636 212 HA ALA 25 HA ALA 25 -10.920 -3.129 -13.231 213 HB1 ALA 25 1HB ALA 25 -8.828 -2.614 -12.019 214 HB2 ALA 25 2HB ALA 25 -8.498 -3.268 -13.628 215 HB3 ALA 25 3HB ALA 25 -8.306 -4.289 -12.198 216 H GLN 26 H GLN 26 -9.941 -6.336 -12.082 217 HA GLN 26 HA GLN 26 -9.778 -7.641 -14.632 218 HB2 GLN 26 2HB GLN 26 -10.156 -8.810 -11.840 219 HB3 GLN 26 1HB GLN 26 -9.702 -9.733 -13.270 220 HG2 GLN 26 2HG GLN 26 -7.554 -8.662 -13.388 221 HG3 GLN 26 1HG GLN 26 -8.012 -7.457 -12.186 222 HE21 GLN 26 1HE2 GLN 26 -5.732 -9.244 -12.140 223 HE22 GLN 26 2HE2 GLN 26 -5.871 -10.180 -10.696 224 H ARG 27 H ARG 27 -12.382 -6.918 -12.432 225 HA ARG 27 HA ARG 27 -14.334 -8.671 -13.742 226 HB2 ARG 27 2HB ARG 27 -14.641 -6.665 -11.465 227 HB3 ARG 27 1HB ARG 27 -15.903 -7.767 -12.021 228 HG2 ARG 27 2HG ARG 27 -14.676 -9.695 -11.259 229 HG3 ARG 27 1HG ARG 27 -13.236 -8.726 -10.944 230 HD2 ARG 27 2HD ARG 27 -14.600 -7.456 -9.214 231 HD3 ARG 27 1HD ARG 27 -15.860 -8.681 -9.430 232 HE ARG 27 HE ARG 27 -13.332 -9.878 -8.871 233 HH11 ARG 27 1HH1 ARG 27 -16.000 -8.214 -7.302 234 HH12 ARG 27 2HH1 ARG 27 -15.698 -8.941 -5.754 235 HH21 ARG 27 1HH2 ARG 27 -12.940 -10.818 -6.850 236 HH22 ARG 27 2HH2 ARG 27 -13.954 -10.425 -5.502 237 H GLY 28 H GLY 28 -13.109 -5.515 -14.190 238 HA2 GLY 28 2HA GLY 28 -13.611 -4.089 -15.956 239 HA3 GLY 28 1HA GLY 28 -15.135 -4.920 -16.214 240 H GLU 29 H GLU 29 -14.820 -4.177 -12.962 241 HA GLU 29 HA GLU 29 -16.729 -2.014 -12.975 242 HB2 GLU 29 2HB GLU 29 -15.155 -3.256 -10.678 243 HB3 GLU 29 1HB GLU 29 -16.535 -2.182 -10.505 244 HG2 GLU 29 2HG GLU 29 -16.571 -4.962 -11.710 245 HG3 GLU 29 1HG GLU 29 -17.157 -4.516 -10.107 246 H TRP 30 H TRP 30 -14.839 -0.895 -14.376 247 HA TRP 30 HA TRP 30 -12.621 0.316 -13.122 248 HB2 TRP 30 2HB TRP 30 -14.121 1.143 -15.649 249 HB3 TRP 30 1HB TRP 30 -12.540 1.762 -15.169 250 HD1 TRP 30 HD1 TRP 30 -14.145 -1.162 -16.957 251 HE1 TRP 30 HE1 TRP 30 -12.328 -2.814 -17.712 252 HE3 TRP 30 HE3 TRP 30 -10.154 0.795 -14.425 253 HZ2 TRP 30 HZ2 TRP 30 -9.571 -3.233 -17.311 254 HZ3 TRP 30 HZ3 TRP 30 -7.956 -0.286 -14.670 255 HH2 TRP 30 HH2 TRP 30 -7.679 -2.255 -16.081 256 H ASP 31 H ASP 31 -15.955 1.253 -13.403 257 HA ASP 31 HA ASP 31 -15.927 3.963 -12.775 258 HB2 ASP 31 2HB ASP 31 -17.963 1.861 -11.898 259 HB3 ASP 31 1HB ASP 31 -18.247 3.598 -11.956 260 H LEU 32 H LEU 32 -16.025 1.119 -10.619 261 HA LEU 32 HA LEU 32 -16.088 2.525 -8.162 262 HB2 LEU 32 2HB LEU 32 -15.198 -0.323 -8.768 263 HB3 LEU 32 1HB LEU 32 -15.459 0.311 -7.150 264 HG LEU 32 HG LEU 32 -17.617 0.020 -9.289 265 HD11 LEU 32 1HD1 LEU 32 -18.526 -1.768 -7.869 266 HD12 LEU 32 2HD1 LEU 32 -17.158 -1.600 -6.764 267 HD13 LEU 32 3HD1 LEU 32 -16.895 -2.151 -8.420 268 HD21 LEU 32 1HD2 LEU 32 -19.217 0.630 -7.515 269 HD22 LEU 32 2HD2 LEU 32 -18.075 1.939 -7.815 270 HD23 LEU 32 3HD2 LEU 32 -17.885 0.911 -6.393 271 H LEU 33 H LEU 33 -13.419 1.569 -10.275 272 HA LEU 33 HA LEU 33 -11.300 2.215 -8.469 273 HB2 LEU 33 2HB LEU 33 -11.383 1.995 -11.493 274 HB3 LEU 33 1HB LEU 33 -9.955 2.617 -10.684 275 HG LEU 33 HG LEU 33 -9.851 0.432 -9.377 276 HD11 LEU 33 1HD1 LEU 33 -10.993 -1.536 -10.273 277 HD12 LEU 33 2HD1 LEU 33 -11.878 -0.516 -11.411 278 HD13 LEU 33 3HD1 LEU 33 -12.142 -0.337 -9.675 279 HD21 LEU 33 1HD2 LEU 33 -8.777 -0.817 -11.199 280 HD22 LEU 33 2HD2 LEU 33 -8.335 0.890 -11.235 281 HD23 LEU 33 3HD2 LEU 33 -9.520 0.261 -12.384 282 H LEU 34 H LEU 34 -13.174 4.103 -10.825 283 HA LEU 34 HA LEU 34 -11.674 6.517 -10.651 284 HB2 LEU 34 2HB LEU 34 -14.616 6.181 -11.375 285 HB3 LEU 34 1HB LEU 34 -13.628 7.595 -11.722 286 HG LEU 34 HG LEU 34 -13.277 4.824 -12.935 287 HD11 LEU 34 1HD1 LEU 34 -13.930 5.873 -15.049 288 HD12 LEU 34 2HD1 LEU 34 -14.201 7.407 -14.218 289 HD13 LEU 34 3HD1 LEU 34 -15.208 6.007 -13.842 290 HD21 LEU 34 1HD2 LEU 34 -11.528 5.818 -14.350 291 HD22 LEU 34 2HD2 LEU 34 -11.090 5.869 -12.646 292 HD23 LEU 34 3HD2 LEU 34 -11.655 7.333 -13.453 293 H GLN 35 H GLN 35 -14.490 5.348 -8.792 294 HA GLN 35 HA GLN 35 -14.863 7.764 -7.281 295 HB2 GLN 35 2HB GLN 35 -15.899 4.929 -6.968 296 HB3 GLN 35 1HB GLN 35 -16.159 6.106 -5.686 297 HG2 GLN 35 2HG GLN 35 -18.134 6.110 -7.003 298 HG3 GLN 35 1HG GLN 35 -17.283 7.601 -7.387 299 HE21 GLN 35 1HE2 GLN 35 -16.258 7.762 -9.486 300 HE22 GLN 35 2HE2 GLN 35 -16.777 6.754 -10.791 301 H GLN 36 H GLN 36 -13.296 4.643 -6.528 302 HA GLN 36 HA GLN 36 -12.364 5.462 -3.937 303 HB2 GLN 36 2HB GLN 36 -11.585 3.065 -5.645 304 HB3 GLN 36 1HB GLN 36 -11.095 3.302 -3.971 305 HG2 GLN 36 2HG GLN 36 -13.967 3.031 -4.909 306 HG3 GLN 36 1HG GLN 36 -13.003 1.723 -4.233 307 HE21 GLN 36 1HE2 GLN 36 -15.534 3.001 -3.293 308 HE22 GLN 36 2HE2 GLN 36 -15.217 3.472 -1.663 309 H GLU 37 H GLU 37 -11.206 6.030 -7.114 310 HA GLU 37 HA GLU 37 -8.475 6.099 -7.037 311 HB2 GLU 37 2HB GLU 37 -9.803 6.694 -9.033 312 HB3 GLU 37 1HB GLU 37 -10.301 8.202 -8.275 313 HG2 GLU 37 2HG GLU 37 -7.860 8.891 -8.243 314 HG3 GLU 37 1HG GLU 37 -7.498 7.450 -9.190 315 H VAL 38 H VAL 38 -10.543 8.908 -6.171 316 HA VAL 38 HA VAL 38 -8.552 10.692 -5.398 317 HB VAL 38 HB VAL 38 -11.403 10.506 -4.291 318 HG11 VAL 38 1HG1 VAL 38 -10.014 11.994 -2.888 319 HG12 VAL 38 2HG1 VAL 38 -11.206 12.925 -3.795 320 HG13 VAL 38 3HG1 VAL 38 -9.519 12.901 -4.319 321 HG21 VAL 38 1HG2 VAL 38 -11.363 10.658 -6.749 322 HG22 VAL 38 2HG2 VAL 38 -10.341 12.094 -6.657 323 HG23 VAL 38 3HG2 VAL 38 -11.994 12.145 -6.039 324 H SER 39 H SER 39 -10.381 8.400 -3.409 325 HA SER 39 HA SER 39 -9.238 9.041 -0.912 326 HB2 SER 39 2HB SER 39 -10.585 6.471 -1.840 327 HB3 SER 39 1HB SER 39 -10.290 6.926 -0.158 328 HG SER 39 HG SER 39 -12.406 7.449 -0.897 329 H TYR 40 H TYR 40 -8.298 6.706 -3.439 330 HA TYR 40 HA TYR 40 -6.394 5.263 -1.870 331 HB2 TYR 40 2HB TYR 40 -7.467 4.318 -3.929 332 HB3 TYR 40 1HB TYR 40 -6.568 5.466 -4.918 333 HD1 TYR 40 HD1 TYR 40 -5.790 3.018 -2.158 334 HD2 TYR 40 HD2 TYR 40 -4.675 4.491 -6.017 335 HE1 TYR 40 HE1 TYR 40 -3.955 1.401 -2.236 336 HE2 TYR 40 HE2 TYR 40 -2.827 2.862 -6.090 337 HH TYR 40 HH TYR 40 -1.473 1.528 -4.562 338 H LEU 41 H LEU 41 -6.122 7.859 -4.289 339 HA LEU 41 HA LEU 41 -3.374 8.253 -4.386 340 HB2 LEU 41 2HB LEU 41 -5.482 10.450 -4.500 341 HB3 LEU 41 1HB LEU 41 -3.853 10.545 -5.145 342 HG LEU 41 HG LEU 41 -6.042 8.732 -6.230 343 HD11 LEU 41 1HD1 LEU 41 -6.233 10.291 -8.092 344 HD12 LEU 41 2HD1 LEU 41 -5.030 11.355 -7.359 345 HD13 LEU 41 3HD1 LEU 41 -6.588 11.101 -6.566 346 HD21 LEU 41 1HD2 LEU 41 -3.814 7.815 -6.669 347 HD22 LEU 41 2HD2 LEU 41 -3.305 9.344 -7.387 348 HD23 LEU 41 3HD2 LEU 41 -4.569 8.382 -8.159 349 H GLN 42 H GLN 42 -5.825 9.839 -2.354 350 HA GLN 42 HA GLN 42 -4.269 11.517 -0.789 351 HB2 GLN 42 2HB GLN 42 -6.757 11.537 -0.891 352 HB3 GLN 42 1HB GLN 42 -6.811 10.021 0.002 353 HG2 GLN 42 2HG GLN 42 -5.725 11.192 1.940 354 HG3 GLN 42 1HG GLN 42 -5.831 12.703 1.040 355 HE21 GLN 42 1HE2 GLN 42 -7.025 12.032 3.599 356 HE22 GLN 42 2HE2 GLN 42 -8.730 12.239 3.418 357 H SER 43 H SER 43 -5.228 8.144 -0.192 358 HA SER 43 HA SER 43 -4.168 7.820 2.378 359 HB2 SER 43 2HB SER 43 -4.608 5.749 0.186 360 HB3 SER 43 1HB SER 43 -4.293 5.367 1.882 361 HG SER 43 HG SER 43 -6.407 7.082 1.171 362 H ILE 44 H ILE 44 -2.749 6.715 -0.734 363 HA ILE 44 HA ILE 44 -0.422 5.670 0.474 364 HB ILE 44 HB ILE 44 -1.299 4.764 -1.615 365 HG12 ILE 44 2HG1 ILE 44 1.516 5.879 -2.029 366 HG13 ILE 44 1HG1 ILE 44 1.121 4.417 -1.138 367 HG21 ILE 44 1HG2 ILE 44 -0.460 7.344 -2.966 368 HG22 ILE 44 2HG2 ILE 44 -2.118 6.853 -2.629 369 HG23 ILE 44 3HG2 ILE 44 -1.142 5.919 -3.761 370 HD11 ILE 44 1HD1 ILE 44 0.760 4.860 -4.104 371 HD12 ILE 44 2HD1 ILE 44 0.272 3.407 -3.226 372 HD13 ILE 44 3HD1 ILE 44 1.974 3.855 -3.310 373 H GLU 45 H GLU 45 -1.064 8.831 -1.083 374 HA GLU 45 HA GLU 45 1.520 9.921 -0.985 375 HB2 GLU 45 2HB GLU 45 -1.211 11.226 -0.731 376 HB3 GLU 45 1HB GLU 45 0.267 12.176 -0.657 377 HG2 GLU 45 2HG GLU 45 -0.525 10.428 -3.003 378 HG3 GLU 45 1HG GLU 45 -0.829 12.158 -2.894 379 H THR 46 H THR 46 -1.083 10.061 1.495 380 HA THR 46 HA THR 46 0.264 11.511 3.465 381 HB THR 46 HB THR 46 -1.892 9.379 3.857 382 HG1 THR 46 HG1 THR 46 -2.281 11.366 2.490 383 HG21 THR 46 1HG2 THR 46 -2.437 10.547 5.970 384 HG22 THR 46 2HG2 THR 46 -1.073 11.641 5.728 385 HG23 THR 46 3HG2 THR 46 -0.783 9.924 6.013 386 H VAL 47 H VAL 47 0.268 8.023 2.816 387 HA VAL 47 HA VAL 47 1.607 7.210 5.215 388 HB VAL 47 HB VAL 47 1.373 5.688 2.576 389 HG11 VAL 47 1HG1 VAL 47 3.078 4.706 4.075 390 HG12 VAL 47 2HG1 VAL 47 1.676 3.645 3.939 391 HG13 VAL 47 3HG1 VAL 47 1.898 4.630 5.387 392 HG21 VAL 47 1HG2 VAL 47 -0.628 4.619 3.550 393 HG22 VAL 47 2HG2 VAL 47 -0.841 6.361 3.407 394 HG23 VAL 47 3HG2 VAL 47 -0.491 5.649 4.975 395 H MET 48 H MET 48 2.713 7.892 1.876 396 HA MET 48 HA MET 48 5.449 7.144 2.331 397 HB2 MET 48 2HB MET 48 4.184 8.801 0.113 398 HB3 MET 48 1HB MET 48 5.892 8.373 0.149 399 HG2 MET 48 2HG MET 48 5.274 5.975 0.122 400 HG3 MET 48 1HG MET 48 3.573 6.429 0.009 401 HE1 MET 48 1HE MET 48 3.557 8.894 -2.008 402 HE2 MET 48 2HE MET 48 2.462 7.514 -2.145 403 HE3 MET 48 3HE MET 48 3.380 8.054 -3.549 404 H GLU 49 H GLU 49 3.665 10.154 2.693 405 HA GLU 49 HA GLU 49 6.001 11.803 3.225 406 HB2 GLU 49 2HB GLU 49 3.033 12.362 3.653 407 HB3 GLU 49 1HB GLU 49 4.324 13.555 3.787 408 HG2 GLU 49 2HG GLU 49 4.831 13.307 1.398 409 HG3 GLU 49 1HG GLU 49 3.589 12.065 1.249 410 H LYS 50 H LYS 50 4.357 9.484 5.000 411 HA LYS 50 HA LYS 50 4.457 10.843 7.586 412 HB2 LYS 50 2HB LYS 50 2.522 9.318 6.775 413 HB3 LYS 50 1HB LYS 50 3.595 7.961 7.089 414 HG2 LYS 50 2HG LYS 50 2.080 8.299 8.962 415 HG3 LYS 50 1HG LYS 50 3.738 8.626 9.463 416 HD2 LYS 50 2HD LYS 50 2.222 10.278 10.443 417 HD3 LYS 50 1HD LYS 50 3.298 11.070 9.298 418 HE2 LYS 50 2HE LYS 50 0.472 10.229 8.572 419 HE3 LYS 50 1HE LYS 50 0.841 11.798 9.270 420 HZ1 LYS 50 1HZ LYS 50 0.700 12.006 6.912 421 HZ2 LYS 50 2HZ LYS 50 1.798 10.752 6.660 422 HZ3 LYS 50 3HZ LYS 50 2.321 12.200 7.345 423 H GLN 51 H GLN 51 5.860 10.366 9.164 424 HA GLN 51 HA GLN 51 8.333 9.045 8.707 425 HB2 GLN 51 2HB GLN 51 8.173 10.933 10.240 426 HB3 GLN 51 1HB GLN 51 6.983 10.102 11.229 427 HG2 GLN 51 2HG GLN 51 8.721 8.462 11.906 428 HG3 GLN 51 1HG GLN 51 9.907 9.334 10.938 429 HE21 GLN 51 1HE2 GLN 51 8.945 12.002 11.671 430 HE22 GLN 51 2HE2 GLN 51 9.402 12.240 13.319 431 H THR 52 H THR 52 8.989 7.006 9.316 432 HA THR 52 HA THR 52 7.019 5.027 10.098 433 HB THR 52 HB THR 52 10.023 4.693 9.674 434 HG1 THR 52 HG1 THR 52 8.094 5.280 7.906 435 HG21 THR 52 1HG2 THR 52 9.473 2.325 9.275 436 HG22 THR 52 2HG2 THR 52 7.767 2.647 9.566 437 HG23 THR 52 3HG2 THR 52 8.930 2.799 10.884 438 HA PRO 53 HA PRO 53 7.903 5.662 14.512 439 HB2 PRO 53 2HB PRO 53 6.542 3.006 14.881 440 HB3 PRO 53 1HB PRO 53 6.114 4.598 15.547 441 HG2 PRO 53 2HG PRO 53 4.644 3.532 13.615 442 HG3 PRO 53 1HG PRO 53 5.006 5.273 13.612 443 HD2 PRO 53 2HD PRO 53 6.337 3.075 12.020 444 HD3 PRO 53 1HD PRO 53 5.737 4.660 11.471 445 HA PRO 54 HA PRO 54 11.553 3.203 15.481 446 HB2 PRO 54 2HB PRO 54 11.534 3.334 18.253 447 HB3 PRO 54 1HB PRO 54 12.036 4.681 17.211 448 HG2 PRO 54 2HG PRO 54 9.379 4.224 18.538 449 HG3 PRO 54 1HG PRO 54 10.330 5.722 18.413 450 HD2 PRO 54 2HD PRO 54 8.229 5.263 16.783 451 HD3 PRO 54 1HD PRO 54 9.677 6.119 16.206 452 H GLY 55 H GLY 55 8.673 2.465 17.454 453 HA2 GLY 55 2HA GLY 55 9.596 -0.111 18.310 454 HA3 GLY 55 1HA GLY 55 8.024 0.604 18.602 455 H ILE 56 H ILE 56 9.955 -0.994 16.121 456 HA ILE 56 HA ILE 56 7.537 -2.350 15.063 457 HB ILE 56 HB ILE 56 10.151 -1.672 13.625 458 HG12 ILE 56 2HG1 ILE 56 7.290 -0.709 13.137 459 HG13 ILE 56 1HG1 ILE 56 8.604 0.255 13.803 460 HG21 ILE 56 1HG2 ILE 56 9.199 -2.752 11.612 461 HG22 ILE 56 2HG2 ILE 56 7.778 -3.242 12.533 462 HG23 ILE 56 3HG2 ILE 56 9.357 -3.916 12.930 463 HD11 ILE 56 1HD1 ILE 56 8.442 -0.854 11.005 464 HD12 ILE 56 2HD1 ILE 56 9.802 0.058 11.666 465 HD13 ILE 56 3HD1 ILE 56 8.223 0.822 11.503 466 H THR 57 H THR 57 7.458 -4.395 15.774 467 HA THR 57 HA THR 57 9.866 -5.846 16.660 468 HB THR 57 HB THR 57 8.255 -7.426 17.686 469 HG1 THR 57 HG1 THR 57 6.024 -7.033 17.481 470 HG21 THR 57 1HG2 THR 57 8.861 -5.434 19.033 471 HG22 THR 57 2HG2 THR 57 7.197 -5.925 19.351 472 HG23 THR 57 3HG2 THR 57 7.520 -4.533 18.316 473 H ARG 58 H ARG 58 9.162 -8.446 16.266 474 HA ARG 58 HA ARG 58 9.735 -9.085 13.604 475 HB2 ARG 58 2HB ARG 58 10.169 -10.651 15.449 476 HB3 ARG 58 1HB ARG 58 8.454 -10.754 15.822 477 HG2 ARG 58 2HG ARG 58 9.157 -12.779 14.671 478 HG3 ARG 58 1HG ARG 58 8.058 -11.874 13.630 479 HD2 ARG 58 2HD ARG 58 10.041 -10.965 12.407 480 HD3 ARG 58 1HD ARG 58 11.086 -11.985 13.404 481 HE ARG 58 HE ARG 58 9.314 -13.750 12.329 482 HH11 ARG 58 1HH1 ARG 58 11.438 -11.345 10.907 483 HH12 ARG 58 2HH1 ARG 58 11.644 -12.225 9.430 484 HH21 ARG 58 1HH2 ARG 58 9.577 -14.889 10.360 485 HH22 ARG 58 2HH2 ARG 58 10.590 -14.227 9.124 486 H SER 59 H SER 59 6.638 -9.593 15.352 487 HA SER 59 HA SER 59 5.129 -10.412 13.149 488 HB2 SER 59 2HB SER 59 4.055 -9.078 15.662 489 HB3 SER 59 1HB SER 59 3.195 -10.197 14.600 490 HG SER 59 HG SER 59 4.096 -11.805 15.606 491 H ILE 60 H ILE 60 5.599 -7.175 14.547 492 HA ILE 60 HA ILE 60 3.722 -5.744 13.004 493 HB ILE 60 HB ILE 60 6.332 -4.803 14.286 494 HG12 ILE 60 2HG1 ILE 60 3.437 -4.397 15.189 495 HG13 ILE 60 1HG1 ILE 60 4.523 -5.615 15.847 496 HG21 ILE 60 1HG2 ILE 60 4.147 -3.070 13.060 497 HG22 ILE 60 2HG2 ILE 60 5.795 -3.250 12.453 498 HG23 ILE 60 3HG2 ILE 60 5.508 -2.470 14.009 499 HD11 ILE 60 1HD1 ILE 60 4.890 -2.626 16.046 500 HD12 ILE 60 2HD1 ILE 60 5.987 -3.845 16.694 501 HD13 ILE 60 3HD1 ILE 60 4.348 -3.712 17.327 502 H GLN 61 H GLN 61 7.213 -6.392 12.457 503 HA GLN 61 HA GLN 61 7.531 -4.960 10.062 504 HB2 GLN 61 2HB GLN 61 9.400 -5.869 11.465 505 HB3 GLN 61 1HB GLN 61 9.020 -7.491 10.898 506 HG2 GLN 61 2HG GLN 61 9.478 -6.637 8.531 507 HG3 GLN 61 1HG GLN 61 10.094 -5.160 9.277 508 HE21 GLN 61 1HE2 GLN 61 12.194 -5.490 8.508 509 HE22 GLN 61 2HE2 GLN 61 13.221 -6.741 9.101 510 H ASP 62 H ASP 62 6.531 -8.337 10.619 511 HA ASP 62 HA ASP 62 6.471 -9.050 7.838 512 HB2 ASP 62 2HB ASP 62 5.358 -10.427 10.311 513 HB3 ASP 62 1HB ASP 62 5.236 -11.121 8.695 514 H MET 63 H MET 63 3.998 -7.807 10.098 515 HA MET 63 HA MET 63 1.770 -8.278 8.337 516 HB2 MET 63 2HB MET 63 2.073 -6.420 10.731 517 HB3 MET 63 1HB MET 63 0.578 -6.561 9.818 518 HG2 MET 63 2HG MET 63 0.474 -8.971 10.404 519 HG3 MET 63 1HG MET 63 1.926 -8.770 11.388 520 HE1 MET 63 1HE MET 63 2.015 -7.095 13.549 521 HE2 MET 63 2HE MET 63 0.598 -6.251 14.167 522 HE3 MET 63 3HE MET 63 1.321 -5.747 12.640 523 H VAL 64 H VAL 64 3.853 -5.483 9.003 524 HA VAL 64 HA VAL 64 2.639 -3.634 7.245 525 HB VAL 64 HB VAL 64 5.490 -3.757 8.351 526 HG11 VAL 64 1HG1 VAL 64 5.534 -2.420 6.294 527 HG12 VAL 64 2HG1 VAL 64 5.731 -1.373 7.698 528 HG13 VAL 64 3HG1 VAL 64 4.178 -1.452 6.867 529 HG21 VAL 64 1HG2 VAL 64 3.736 -3.442 10.066 530 HG22 VAL 64 2HG2 VAL 64 3.116 -2.042 9.188 531 HG23 VAL 64 3HG2 VAL 64 4.728 -1.990 9.908 532 H ALA 65 H ALA 65 5.707 -5.509 6.802 533 HA ALA 65 HA ALA 65 6.038 -4.909 4.064 534 HB1 ALA 65 1HB ALA 65 7.765 -6.628 4.031 535 HB2 ALA 65 2HB ALA 65 7.162 -7.310 5.550 536 HB3 ALA 65 3HB ALA 65 7.879 -5.700 5.527 537 H GLY 66 H GLY 66 4.182 -7.415 5.670 538 HA2 GLY 66 2HA GLY 66 3.704 -9.137 3.466 539 HA3 GLY 66 1HA GLY 66 2.682 -8.961 4.887 540 H TYR 67 H TYR 67 1.879 -6.384 4.787 541 HA TYR 67 HA TYR 67 -0.051 -6.399 2.659 542 HB2 TYR 67 2HB TYR 67 0.449 -4.562 5.016 543 HB3 TYR 67 1HB TYR 67 -0.736 -4.146 3.778 544 HD1 TYR 67 HD1 TYR 67 -1.141 -7.538 3.672 545 HD2 TYR 67 HD2 TYR 67 -1.715 -4.351 6.467 546 HE1 TYR 67 HE1 TYR 67 -2.874 -8.845 4.813 547 HE2 TYR 67 HE2 TYR 67 -3.447 -5.673 7.586 548 HH TYR 67 HH TYR 67 -3.934 -8.999 6.959 549 H ILE 68 H ILE 68 3.053 -4.816 3.132 550 HA ILE 68 HA ILE 68 2.735 -2.869 1.065 551 HB ILE 68 HB ILE 68 5.367 -4.102 2.050 552 HG12 ILE 68 2HG1 ILE 68 4.008 -1.469 2.797 553 HG13 ILE 68 1HG1 ILE 68 4.254 -2.845 3.856 554 HG21 ILE 68 1HG2 ILE 68 6.474 -2.157 0.942 555 HG22 ILE 68 2HG2 ILE 68 4.911 -1.632 0.310 556 HG23 ILE 68 3HG2 ILE 68 5.608 -3.160 -0.226 557 HD11 ILE 68 1HD1 ILE 68 6.677 -2.487 3.742 558 HD12 ILE 68 2HD1 ILE 68 5.816 -1.080 4.366 559 HD13 ILE 68 3HD1 ILE 68 6.411 -1.082 2.707 560 H LYS 69 H LYS 69 4.298 -6.123 1.147 561 HA LYS 69 HA LYS 69 4.893 -6.431 -1.551 562 HB2 LYS 69 2HB LYS 69 5.742 -8.030 0.065 563 HB3 LYS 69 1HB LYS 69 4.122 -8.509 0.541 564 HG2 LYS 69 2HG LYS 69 5.222 -10.232 -0.835 565 HG3 LYS 69 1HG LYS 69 3.764 -9.609 -1.607 566 HD2 LYS 69 2HD LYS 69 5.185 -8.178 -3.082 567 HD3 LYS 69 1HD LYS 69 6.633 -8.856 -2.331 568 HE2 LYS 69 2HE LYS 69 6.132 -11.056 -3.211 569 HE3 LYS 69 1HE LYS 69 4.536 -10.533 -3.754 570 HZ1 LYS 69 1HZ LYS 69 7.100 -9.479 -4.816 571 HZ2 LYS 69 2HZ LYS 69 5.543 -9.112 -5.370 572 HZ3 LYS 69 3HZ LYS 69 6.158 -10.674 -5.552 573 H GLN 70 H GLN 70 1.904 -7.257 0.186 574 HA GLN 70 HA GLN 70 0.448 -8.426 -1.890 575 HB2 GLN 70 2HB GLN 70 -0.211 -8.475 0.520 576 HB3 GLN 70 1HB GLN 70 -0.631 -6.766 0.436 577 HG2 GLN 70 2HG GLN 70 -2.382 -7.295 -1.241 578 HG3 GLN 70 1HG GLN 70 -1.959 -9.003 -1.135 579 HE21 GLN 70 1HE2 GLN 70 -3.964 -9.665 -0.414 580 HE22 GLN 70 2HE2 GLN 70 -4.616 -9.241 1.128 581 H THR 71 H THR 71 0.560 -4.999 -0.782 582 HA THR 71 HA THR 71 -1.196 -4.122 -2.869 583 HB THR 71 HB THR 71 -1.147 -2.935 -0.697 584 HG1 THR 71 HG1 THR 71 -0.586 -1.407 -3.040 585 HG21 THR 71 1HG2 THR 71 0.498 -1.230 -0.195 586 HG22 THR 71 2HG2 THR 71 1.462 -1.694 -1.606 587 HG23 THR 71 3HG2 THR 71 1.276 -2.812 -0.254 588 H LEU 72 H LEU 72 2.254 -4.647 -2.708 589 HA LEU 72 HA LEU 72 2.993 -2.883 -4.852 590 HB2 LEU 72 2HB LEU 72 4.415 -5.421 -3.892 591 HB3 LEU 72 1HB LEU 72 5.056 -4.318 -5.097 592 HG LEU 72 HG LEU 72 4.781 -3.893 -2.124 593 HD11 LEU 72 1HD1 LEU 72 6.869 -4.885 -2.898 594 HD12 LEU 72 2HD1 LEU 72 7.135 -3.278 -2.226 595 HD13 LEU 72 3HD1 LEU 72 7.141 -3.513 -3.977 596 HD21 LEU 72 1HD2 LEU 72 3.775 -1.918 -3.078 597 HD22 LEU 72 2HD2 LEU 72 5.157 -1.688 -4.158 598 HD23 LEU 72 3HD2 LEU 72 5.360 -1.529 -2.413 599 H ASP 73 H ASP 73 1.978 -6.252 -4.587 600 HA ASP 73 HA ASP 73 2.302 -6.932 -7.324 601 HB2 ASP 73 2HB ASP 73 0.469 -8.171 -5.223 602 HB3 ASP 73 1HB ASP 73 0.826 -8.883 -6.796 603 H ASN 74 H ASN 74 -0.562 -6.005 -5.403 604 HA ASN 74 HA ASN 74 -2.483 -5.999 -7.441 605 HB2 ASN 74 2HB ASN 74 -2.425 -4.195 -4.978 606 HB3 ASN 74 1HB ASN 74 -3.853 -4.611 -5.924 607 HD21 ASN 74 1HD2 ASN 74 -3.336 -4.989 -3.088 608 HD22 ASN 74 2HD2 ASN 74 -3.502 -6.683 -2.784 609 H GLU 75 H GLU 75 -0.555 -3.303 -6.160 610 HA GLU 75 HA GLU 75 -1.457 -1.199 -7.739 611 HB2 GLU 75 2HB GLU 75 0.031 -0.991 -5.711 612 HB3 GLU 75 1HB GLU 75 1.366 -1.611 -6.667 613 HG2 GLU 75 2HG GLU 75 1.735 0.694 -6.661 614 HG3 GLU 75 1HG GLU 75 0.968 0.420 -8.223 615 H GLN 76 H GLN 76 1.498 -3.202 -8.196 616 HA GLN 76 HA GLN 76 2.409 -1.901 -10.520 617 HB2 GLN 76 2HB GLN 76 3.820 -3.259 -8.970 618 HB3 GLN 76 1HB GLN 76 3.054 -4.724 -9.567 619 HG2 GLN 76 2HG GLN 76 3.972 -4.169 -11.852 620 HG3 GLN 76 1HG GLN 76 4.844 -2.826 -11.115 621 HE21 GLN 76 1HE2 GLN 76 4.384 -6.022 -9.620 622 HE22 GLN 76 2HE2 GLN 76 6.049 -6.465 -9.678 623 H LEU 77 H LEU 77 0.376 -4.782 -10.099 624 HA LEU 77 HA LEU 77 0.164 -5.603 -12.784 625 HB2 LEU 77 2HB LEU 77 -1.812 -5.832 -10.482 626 HB3 LEU 77 1HB LEU 77 -2.131 -6.523 -12.063 627 HG LEU 77 HG LEU 77 0.128 -7.334 -10.187 628 HD11 LEU 77 1HD1 LEU 77 -2.042 -8.139 -9.414 629 HD12 LEU 77 2HD1 LEU 77 -1.061 -9.480 -10.002 630 HD13 LEU 77 3HD1 LEU 77 -2.373 -8.844 -10.999 631 HD21 LEU 77 1HD2 LEU 77 0.621 -9.120 -11.812 632 HD22 LEU 77 2HD2 LEU 77 0.881 -7.518 -12.497 633 HD23 LEU 77 3HD2 LEU 77 -0.566 -8.435 -12.924 634 H LEU 78 H LEU 78 -1.924 -3.387 -10.852 635 HA LEU 78 HA LEU 78 -3.645 -2.571 -12.912 636 HB2 LEU 78 2HB LEU 78 -2.773 -1.133 -10.381 637 HB3 LEU 78 1HB LEU 78 -4.008 -0.488 -11.452 638 HG LEU 78 HG LEU 78 -4.178 -3.133 -9.949 639 HD11 LEU 78 1HD1 LEU 78 -5.697 -0.544 -9.516 640 HD12 LEU 78 2HD1 LEU 78 -4.438 -1.202 -8.464 641 HD13 LEU 78 3HD1 LEU 78 -5.965 -2.064 -8.658 642 HD21 LEU 78 1HD2 LEU 78 -5.309 -3.305 -12.105 643 HD22 LEU 78 2HD2 LEU 78 -6.200 -1.814 -11.792 644 HD23 LEU 78 3HD2 LEU 78 -6.494 -3.243 -10.802 645 H LYS 79 H LYS 79 -0.468 -1.288 -11.998 646 HA LYS 79 HA LYS 79 -0.573 1.081 -13.565 647 HB2 LYS 79 2HB LYS 79 1.991 -0.382 -12.831 648 HB3 LYS 79 1HB LYS 79 1.800 1.324 -13.182 649 HG2 LYS 79 2HG LYS 79 0.866 -0.125 -10.691 650 HG3 LYS 79 1HG LYS 79 2.266 0.913 -10.814 651 HD2 LYS 79 2HD LYS 79 0.678 2.233 -9.693 652 HD3 LYS 79 1HD LYS 79 0.583 2.816 -11.350 653 HE2 LYS 79 2HE LYS 79 -1.515 1.672 -11.710 654 HE3 LYS 79 1HE LYS 79 -1.333 0.742 -10.223 655 HZ1 LYS 79 1HZ LYS 79 -2.921 2.522 -9.939 656 HZ2 LYS 79 2HZ LYS 79 -1.749 3.676 -10.370 657 HZ3 LYS 79 3HZ LYS 79 -1.565 2.789 -8.960 658 H GLY 80 H GLY 80 0.619 -2.200 -14.168 659 HA2 GLY 80 2HA GLY 80 1.372 -1.694 -16.936 660 HA3 GLY 80 1HA GLY 80 1.439 -3.225 -16.079 661 H LEU 81 H LEU 81 -1.553 -2.411 -15.354 662 HA LEU 81 HA LEU 81 -2.774 -3.958 -17.479 663 HB2 LEU 81 2HB LEU 81 -3.291 -3.868 -14.860 664 HB3 LEU 81 1HB LEU 81 -4.366 -2.563 -15.301 665 HG LEU 81 HG LEU 81 -4.565 -5.414 -16.380 666 HD11 LEU 81 1HD1 LEU 81 -6.172 -4.094 -14.168 667 HD12 LEU 81 2HD1 LEU 81 -5.007 -5.408 -13.987 668 HD13 LEU 81 3HD1 LEU 81 -6.504 -5.680 -14.874 669 HD21 LEU 81 1HD2 LEU 81 -5.559 -3.825 -17.935 670 HD22 LEU 81 2HD2 LEU 81 -6.506 -3.097 -16.639 671 HD23 LEU 81 3HD2 LEU 81 -6.827 -4.759 -17.140 672 H LEU 82 H LEU 82 -2.786 -0.575 -16.358 673 HA LEU 82 HA LEU 82 -4.971 0.380 -17.828 674 HB2 LEU 82 2HB LEU 82 -2.505 1.860 -16.865 675 HB3 LEU 82 1HB LEU 82 -3.941 2.659 -17.488 676 HG LEU 82 HG LEU 82 -3.839 0.921 -14.987 677 HD11 LEU 82 1HD1 LEU 82 -2.690 3.046 -14.643 678 HD12 LEU 82 2HD1 LEU 82 -4.191 2.980 -13.724 679 HD13 LEU 82 3HD1 LEU 82 -4.112 3.930 -15.211 680 HD21 LEU 82 1HD2 LEU 82 -6.150 1.666 -14.568 681 HD22 LEU 82 2HD2 LEU 82 -6.026 0.732 -16.056 682 HD23 LEU 82 3HD2 LEU 82 -6.174 2.491 -16.130 683 H GLN 83 H GLN 83 -1.501 0.953 -18.742 684 HA GLN 83 HA GLN 83 -2.261 0.780 -21.608 685 HB2 GLN 83 2HB GLN 83 -0.503 2.986 -20.451 686 HB3 GLN 83 1HB GLN 83 -0.876 2.762 -22.153 687 HG2 GLN 83 2HG GLN 83 -3.187 3.366 -21.783 688 HG3 GLN 83 1HG GLN 83 -2.943 3.411 -20.036 689 HE21 GLN 83 1HE2 GLN 83 -1.716 5.138 -19.141 690 HE22 GLN 83 2HE2 GLN 83 -1.462 6.603 -20.018 691 H GLN 84 H GLN 84 -0.823 -1.001 -19.682 692 HA GLN 84 HA GLN 84 0.615 -2.715 -19.976 693 HB2 GLN 84 2HB GLN 84 -0.120 -2.446 -22.400 694 HB3 GLN 84 1HB GLN 84 1.340 -1.517 -22.682 695 HG2 GLN 84 2HG GLN 84 1.526 -3.851 -23.472 696 HG3 GLN 84 1HG GLN 84 2.716 -3.471 -22.227 697 HE21 GLN 84 1HE2 GLN 84 -0.278 -5.191 -22.895 698 HE22 GLN 84 2HE2 GLN 84 -0.194 -6.250 -21.529 699 H ARG 85 H ARG 85 1.527 0.078 -18.962 700 HA ARG 85 HA ARG 85 4.440 -0.499 -18.967 701 HB2 ARG 85 2HB ARG 85 3.226 2.281 -19.244 702 HB3 ARG 85 1HB ARG 85 4.944 1.910 -19.119 703 HG2 ARG 85 2HG ARG 85 4.744 0.604 -21.268 704 HG3 ARG 85 1HG ARG 85 3.082 1.183 -21.402 705 HD2 ARG 85 2HD ARG 85 4.494 2.572 -22.783 706 HD3 ARG 85 1HD ARG 85 3.959 3.530 -21.402 707 HE ARG 85 HE ARG 85 6.126 3.711 -20.703 708 HH11 ARG 85 1HH1 ARG 85 6.017 1.116 -23.097 709 HH12 ARG 85 2HH1 ARG 85 7.745 0.959 -23.170 710 HH21 ARG 85 1HH2 ARG 85 8.368 3.519 -20.866 711 HH22 ARG 85 2HH2 ARG 85 9.069 2.321 -21.908 712 H LEU 86 H LEU 86 3.922 2.355 -17.264 713 HA LEU 86 HA LEU 86 3.259 1.045 -14.711 714 HB2 LEU 86 2HB LEU 86 5.683 2.815 -15.254 715 HB3 LEU 86 1HB LEU 86 5.097 2.466 -13.635 716 HG LEU 86 HG LEU 86 6.110 0.353 -15.586 717 HD11 LEU 86 1HD1 LEU 86 8.120 0.244 -14.189 718 HD12 LEU 86 2HD1 LEU 86 7.537 1.605 -13.226 719 HD13 LEU 86 3HD1 LEU 86 7.928 1.830 -14.934 720 HD21 LEU 86 1HD2 LEU 86 5.408 0.118 -12.632 721 HD22 LEU 86 2HD2 LEU 86 6.121 -1.157 -13.626 722 HD23 LEU 86 3HD2 LEU 86 4.497 -0.572 -13.979 723 H ASP 87 H ASP 87 1.399 2.135 -15.922 724 HA ASP 87 HA ASP 87 1.163 5.002 -15.865 725 HB2 ASP 87 2HB ASP 87 -1.009 2.925 -16.375 726 HB3 ASP 87 1HB ASP 87 -1.011 4.610 -16.889 727 H GLU 88 H GLU 88 -0.858 6.017 -14.837 728 HA GLU 88 HA GLU 88 -1.639 4.762 -12.264 729 HB2 GLU 88 2HB GLU 88 0.241 6.295 -11.778 730 HB3 GLU 88 1HB GLU 88 -0.589 7.618 -12.576 731 HG2 GLU 88 2HG GLU 88 -0.642 7.756 -10.082 732 HG3 GLU 88 1HG GLU 88 -2.247 7.730 -10.812 733 H LEU 89 H LEU 89 -3.693 5.333 -11.534 734 HA LEU 89 HA LEU 89 -5.724 5.878 -13.354 735 HB2 LEU 89 2HB LEU 89 -5.730 6.249 -10.327 736 HB3 LEU 89 1HB LEU 89 -7.175 6.252 -11.326 737 HG LEU 89 HG LEU 89 -5.322 3.859 -10.926 738 HD11 LEU 89 1HD1 LEU 89 -7.163 2.870 -9.634 739 HD12 LEU 89 2HD1 LEU 89 -8.106 4.352 -9.813 740 HD13 LEU 89 3HD1 LEU 89 -6.600 4.367 -8.892 741 HD21 LEU 89 1HD2 LEU 89 -7.952 4.043 -12.443 742 HD22 LEU 89 2HD2 LEU 89 -7.055 2.557 -12.115 743 HD23 LEU 89 3HD2 LEU 89 -6.351 3.797 -13.150 744 H SER 90 H SER 90 -3.994 8.024 -11.160 745 HA SER 90 HA SER 90 -4.771 10.375 -12.757 746 HB2 SER 90 2HB SER 90 -6.225 10.236 -10.709 747 HB3 SER 90 1HB SER 90 -4.776 10.295 -9.704 748 HG SER 90 HG SER 90 -5.922 12.289 -11.333 749 H SER 91 H SER 91 -3.045 11.603 -10.209 750 HA SER 91 HA SER 91 -0.444 10.416 -10.835 751 HB2 SER 91 2HB SER 91 -0.987 13.422 -11.009 752 HB3 SER 91 1HB SER 91 0.620 12.693 -11.040 753 HG SER 91 HG SER 91 -0.628 11.430 -12.898 754 H LEU 92 H LEU 92 0.892 10.342 -9.107 755 HA LEU 92 HA LEU 92 -0.002 11.408 -6.502 756 HB2 LEU 92 2HB LEU 92 2.033 9.296 -7.293 757 HB3 LEU 92 1HB LEU 92 1.858 9.886 -5.652 758 HG LEU 92 HG LEU 92 -0.120 8.231 -7.251 759 HD11 LEU 92 1HD1 LEU 92 0.117 6.650 -5.418 760 HD12 LEU 92 2HD1 LEU 92 1.179 7.761 -4.548 761 HD13 LEU 92 3HD1 LEU 92 1.702 7.048 -6.073 762 HD21 LEU 92 1HD2 LEU 92 -1.690 8.414 -5.356 763 HD22 LEU 92 2HD2 LEU 92 -1.440 9.963 -6.154 764 HD23 LEU 92 3HD2 LEU 92 -0.651 9.632 -4.609 765 H ILE 93 H ILE 93 3.049 11.149 -5.727 766 HA ILE 93 HA ILE 93 4.120 13.621 -5.868 767 HB ILE 93 HB ILE 93 5.683 11.039 -6.397 768 HG12 ILE 93 2HG1 ILE 93 5.075 12.424 -3.737 769 HG13 ILE 93 1HG1 ILE 93 4.308 10.950 -4.309 770 HG21 ILE 93 1HG2 ILE 93 6.711 13.711 -5.354 771 HG22 ILE 93 2HG2 ILE 93 7.061 13.009 -6.935 772 HG23 ILE 93 3HG2 ILE 93 7.659 12.229 -5.470 773 HD11 ILE 93 1HD1 ILE 93 7.223 11.271 -3.596 774 HD12 ILE 93 2HD1 ILE 93 6.464 9.789 -4.186 775 HD13 ILE 93 3HD1 ILE 93 5.979 10.471 -2.636 776 H GLY 94 H GLY 94 4.451 11.164 -8.450 777 HA2 GLY 94 2HA GLY 94 3.710 12.751 -10.570 778 HA3 GLY 94 1HA GLY 94 5.460 12.943 -10.458 779 H GLN 95 H GLN 95 6.172 11.778 -12.178 780 HA GLN 95 HA GLN 95 5.198 9.220 -12.958 781 HB2 GLN 95 2HB GLN 95 7.172 9.083 -14.431 782 HB3 GLN 95 1HB GLN 95 6.325 10.607 -14.601 783 HG2 GLN 95 2HG GLN 95 8.785 10.398 -12.853 784 HG3 GLN 95 1HG GLN 95 8.926 10.613 -14.593 785 HE21 GLN 95 1HE2 GLN 95 8.153 12.572 -15.515 786 HE22 GLN 95 2HE2 GLN 95 8.001 14.010 -14.568 787 H SER 96 H SER 96 6.341 7.207 -12.878 788 HA SER 96 HA SER 96 7.202 5.420 -11.833 789 HB2 SER 96 2HB SER 96 9.149 7.337 -10.504 790 HB3 SER 96 1HB SER 96 9.324 5.588 -10.614 791 HG SER 96 HG SER 96 8.997 7.100 -12.954 792 H THR 97 H THR 97 7.844 7.594 -9.103 793 HA THR 97 HA THR 97 7.222 7.643 -6.964 794 HB THR 97 HB THR 97 4.439 7.514 -8.167 795 HG1 THR 97 HG1 THR 97 6.413 9.283 -8.515 796 HG21 THR 97 1HG2 THR 97 3.789 8.905 -6.219 797 HG22 THR 97 2HG2 THR 97 5.413 8.744 -5.556 798 HG23 THR 97 3HG2 THR 97 4.376 7.322 -5.706 799 H ARG 98 H ARG 98 4.622 5.406 -8.010 800 HA ARG 98 HA ARG 98 4.223 4.392 -5.437 801 HB2 ARG 98 2HB ARG 98 3.404 3.173 -8.120 802 HB3 ARG 98 1HB ARG 98 2.794 2.654 -6.555 803 HG2 ARG 98 2HG ARG 98 1.092 4.006 -7.437 804 HG3 ARG 98 1HG ARG 98 1.904 5.024 -6.250 805 HD2 ARG 98 2HD ARG 98 1.430 6.374 -8.181 806 HD3 ARG 98 1HD ARG 98 3.176 6.091 -8.164 807 HE ARG 98 HE ARG 98 1.606 4.234 -9.741 808 HH11 ARG 98 1HH1 ARG 98 3.404 7.247 -9.825 809 HH12 ARG 98 2HH1 ARG 98 3.656 7.191 -11.534 810 HH21 ARG 98 1HH2 ARG 98 1.926 4.174 -11.988 811 HH22 ARG 98 2HH2 ARG 98 2.815 5.444 -12.767 812 H GLN 99 H GLN 99 5.684 2.824 -8.279 813 HA GLN 99 HA GLN 99 6.204 0.336 -7.096 814 HB2 GLN 99 2HB GLN 99 6.078 0.839 -9.574 815 HB3 GLN 99 1HB GLN 99 7.670 1.579 -9.464 816 HG2 GLN 99 2HG GLN 99 8.555 -0.655 -8.663 817 HG3 GLN 99 1HG GLN 99 6.960 -1.336 -8.989 818 HE21 GLN 99 1HE2 GLN 99 7.693 -2.739 -10.589 819 HE22 GLN 99 2HE2 GLN 99 8.238 -2.191 -12.131 820 H LYS 100 H LYS 100 8.433 3.071 -7.795 821 HA LYS 100 HA LYS 100 10.753 1.866 -6.721 822 HB2 LYS 100 2HB LYS 100 10.901 3.688 -8.356 823 HB3 LYS 100 1HB LYS 100 10.152 4.814 -7.225 824 HG2 LYS 100 2HG LYS 100 12.091 4.653 -5.723 825 HG3 LYS 100 1HG LYS 100 12.822 3.424 -6.759 826 HD2 LYS 100 2HD LYS 100 13.024 5.099 -8.587 827 HD3 LYS 100 1HD LYS 100 12.299 6.322 -7.538 828 HE2 LYS 100 2HE LYS 100 14.196 6.109 -5.974 829 HE3 LYS 100 1HE LYS 100 14.914 4.871 -7.007 830 HZ1 LYS 100 1HZ LYS 100 14.386 7.669 -7.837 831 HZ2 LYS 100 2HZ LYS 100 15.167 6.486 -8.751 832 HZ3 LYS 100 3HZ LYS 100 15.884 7.076 -7.337 833 H SER 101 H SER 101 8.613 4.397 -5.362 834 HA SER 101 HA SER 101 10.015 4.931 -3.016 835 HB2 SER 101 2HB SER 101 8.233 6.412 -3.850 836 HB3 SER 101 1HB SER 101 7.018 5.186 -3.511 837 HG SER 101 HG SER 101 6.905 6.167 -1.662 838 H LEU 102 H LEU 102 7.266 2.678 -3.539 839 HA LEU 102 HA LEU 102 7.245 1.851 -0.768 840 HB2 LEU 102 2HB LEU 102 5.693 0.973 -3.207 841 HB3 LEU 102 1HB LEU 102 5.572 0.095 -1.697 842 HG LEU 102 HG LEU 102 4.699 2.173 -0.580 843 HD11 LEU 102 1HD1 LEU 102 3.902 4.067 -1.916 844 HD12 LEU 102 2HD1 LEU 102 4.634 3.365 -3.363 845 HD13 LEU 102 3HD1 LEU 102 5.655 3.893 -2.026 846 HD21 LEU 102 1HD2 LEU 102 2.442 2.067 -1.567 847 HD22 LEU 102 2HD2 LEU 102 3.148 0.460 -1.399 848 HD23 LEU 102 3HD2 LEU 102 3.095 1.235 -2.983 849 H ASN 103 H ASN 103 8.734 0.600 -3.739 850 HA ASN 103 HA ASN 103 9.500 -1.961 -2.705 851 HB2 ASN 103 2HB ASN 103 9.528 -1.614 -5.110 852 HB3 ASN 103 1HB ASN 103 10.657 -0.273 -4.960 853 HD21 ASN 103 1HD2 ASN 103 10.337 -3.769 -4.675 854 HD22 ASN 103 2HD2 ASN 103 12.016 -4.122 -4.876 855 H ASN 104 H ASN 104 11.086 1.210 -2.765 856 HA ASN 104 HA ASN 104 13.558 0.417 -1.565 857 HB2 ASN 104 2HB ASN 104 12.233 3.141 -1.927 858 HB3 ASN 104 1HB ASN 104 13.776 2.957 -1.101 859 HD21 ASN 104 1HD2 ASN 104 12.800 1.105 -3.991 860 HD22 ASN 104 2HD2 ASN 104 13.964 1.827 -5.034 861 H ALA 105 H ALA 105 10.511 1.784 -0.375 862 HA ALA 105 HA ALA 105 11.107 2.057 2.347 863 HB1 ALA 105 1HB ALA 105 8.670 2.040 2.705 864 HB2 ALA 105 2HB ALA 105 8.418 1.411 1.072 865 HB3 ALA 105 3HB ALA 105 9.092 3.025 1.304 866 H TYR 106 H TYR 106 9.915 -0.710 0.460 867 HA TYR 106 HA TYR 106 9.472 -2.534 2.566 868 HB2 TYR 106 2HB TYR 106 8.681 -2.735 0.148 869 HB3 TYR 106 1HB TYR 106 10.310 -3.204 -0.297 870 HD1 TYR 106 HD1 TYR 106 11.233 -5.345 1.231 871 HD2 TYR 106 HD2 TYR 106 7.141 -4.460 0.424 872 HE1 TYR 106 HE1 TYR 106 10.652 -7.692 1.625 873 HE2 TYR 106 HE2 TYR 106 6.567 -6.795 0.839 874 HH TYR 106 HH TYR 106 7.637 -9.008 0.802 875 H GLY 107 H GLY 107 12.329 -2.008 0.449 876 HA2 GLY 107 2HA GLY 107 13.924 -4.142 1.407 877 HA3 GLY 107 1HA GLY 107 14.507 -2.737 0.530 878 H ARG 108 H ARG 108 13.767 -0.744 2.323 879 HA ARG 108 HA ARG 108 15.899 -0.826 4.244 880 HB2 ARG 108 2HB ARG 108 13.669 1.205 3.837 881 HB3 ARG 108 1HB ARG 108 15.080 1.449 4.863 882 HG2 ARG 108 2HG ARG 108 16.556 1.525 2.989 883 HG3 ARG 108 1HG ARG 108 15.317 0.907 1.894 884 HD2 ARG 108 2HD ARG 108 14.000 3.018 2.310 885 HD3 ARG 108 1HD ARG 108 15.385 3.638 3.224 886 HE ARG 108 HE ARG 108 16.447 2.881 0.829 887 HH11 ARG 108 1HH1 ARG 108 13.859 5.083 1.709 888 HH12 ARG 108 2HH1 ARG 108 14.094 6.090 0.315 889 HH21 ARG 108 1HH2 ARG 108 16.698 4.154 -1.016 890 HH22 ARG 108 2HH2 ARG 108 15.703 5.563 -1.231 891 H LEU 109 H LEU 109 12.383 -1.260 4.337 892 HA LEU 109 HA LEU 109 11.994 -1.303 7.145 893 HB2 LEU 109 2HB LEU 109 10.106 -1.137 5.658 894 HB3 LEU 109 1HB LEU 109 10.525 -2.641 4.860 895 HG LEU 109 HG LEU 109 9.929 -3.882 6.983 896 HD11 LEU 109 1HD1 LEU 109 8.847 -1.210 7.937 897 HD12 LEU 109 2HD1 LEU 109 10.212 -2.088 8.632 898 HD13 LEU 109 3HD1 LEU 109 8.594 -2.779 8.714 899 HD21 LEU 109 1HD2 LEU 109 7.723 -2.199 5.782 900 HD22 LEU 109 2HD2 LEU 109 7.526 -3.728 6.645 901 HD23 LEU 109 3HD2 LEU 109 8.380 -3.693 5.105 902 H SER 110 H SER 110 12.782 -3.818 4.804 903 HA SER 110 HA SER 110 12.747 -6.053 6.507 904 HB2 SER 110 2HB SER 110 12.638 -6.223 4.041 905 HB3 SER 110 1HB SER 110 14.284 -5.600 3.907 906 HG SER 110 HG SER 110 13.567 -8.098 4.131 907 H GLY 111 H GLY 111 15.433 -3.925 5.404 908 HA2 GLY 111 2HA GLY 111 17.422 -5.382 6.936 909 HA3 GLY 111 1HA GLY 111 17.671 -3.926 5.993 910 H MET 112 H MET 112 16.332 -1.950 7.067 911 HA MET 112 HA MET 112 17.658 -1.655 9.674 912 HB2 MET 112 2HB MET 112 16.657 0.267 7.568 913 HB3 MET 112 1HB MET 112 16.948 0.852 9.199 914 HG2 MET 112 2HG MET 112 19.008 -0.486 7.437 915 HG3 MET 112 1HG MET 112 18.860 1.246 7.736 916 HE1 MET 112 1HE MET 112 19.602 1.319 11.673 917 HE2 MET 112 2HE MET 112 18.012 1.069 10.949 918 HE3 MET 112 3HE MET 112 19.099 2.293 10.291 919 H LEU 113 H LEU 113 14.526 -0.495 8.359 920 HA LEU 113 HA LEU 113 12.853 -1.115 10.515 921 HB2 LEU 113 2HB LEU 113 14.283 0.331 11.848 922 HB3 LEU 113 1HB LEU 113 14.242 1.605 10.653 923 HG LEU 113 HG LEU 113 11.584 0.879 11.895 924 HD11 LEU 113 1HD1 LEU 113 13.056 0.816 13.861 925 HD12 LEU 113 2HD1 LEU 113 11.977 2.208 13.912 926 HD13 LEU 113 3HD1 LEU 113 13.674 2.419 13.463 927 HD21 LEU 113 1HD2 LEU 113 12.900 3.554 11.293 928 HD22 LEU 113 2HD2 LEU 113 11.223 3.309 11.804 929 HD23 LEU 113 3HD2 LEU 113 11.765 2.709 10.239 930 H LEU 114 H LEU 114 13.829 1.075 8.046 931 HA LEU 114 HA LEU 114 12.329 0.955 5.995 932 HB2 LEU 114 2HB LEU 114 10.249 1.244 7.567 933 HB3 LEU 114 1HB LEU 114 10.626 2.949 7.544 934 HG LEU 114 HG LEU 114 10.235 1.508 4.902 935 HD11 LEU 114 1HD1 LEU 114 8.310 0.768 6.214 936 HD12 LEU 114 2HD1 LEU 114 7.806 1.888 4.950 937 HD13 LEU 114 3HD1 LEU 114 7.918 2.439 6.625 938 HD21 LEU 114 1HD2 LEU 114 9.328 3.682 4.159 939 HD22 LEU 114 2HD2 LEU 114 10.955 3.847 4.809 940 HD23 LEU 114 3HD2 LEU 114 9.569 4.340 5.782 941 H VAL 115 H VAL 115 13.938 2.768 8.298 942 HA VAL 115 HA VAL 115 14.274 5.250 6.885 943 HB VAL 115 HB VAL 115 16.065 5.722 8.595 944 HG11 VAL 115 1HG1 VAL 115 14.543 5.848 10.542 945 HG12 VAL 115 2HG1 VAL 115 13.416 4.757 9.736 946 HG13 VAL 115 3HG1 VAL 115 13.740 6.353 9.054 947 HG21 VAL 115 1HG2 VAL 115 16.918 3.435 8.973 948 HG22 VAL 115 2HG2 VAL 115 15.378 2.956 9.689 949 HG23 VAL 115 3HG2 VAL 115 16.394 4.151 10.502 950 HA PRO 116 HA PRO 116 17.598 3.802 4.176 951 HB2 PRO 116 2HB PRO 116 18.283 6.618 3.584 952 HB3 PRO 116 1HB PRO 116 17.505 5.417 2.534 953 HG2 PRO 116 2HG PRO 116 16.175 7.584 3.498 954 HG3 PRO 116 1HG PRO 116 15.371 6.035 3.151 955 HD2 PRO 116 2HD PRO 116 16.315 7.113 5.815 956 HD3 PRO 116 1HD PRO 116 14.771 6.320 5.404 957 H ASP 117 H ASP 117 19.496 3.115 4.909 958 HA ASP 117 HA ASP 117 21.339 4.887 6.399 959 HB2 ASP 117 2HB ASP 117 20.172 3.472 8.068 960 HB3 ASP 117 1HB ASP 117 20.553 2.023 7.151 961 H ALA 118 H ALA 118 21.289 1.472 5.376 962 HA ALA 118 HA ALA 118 23.392 2.011 3.357 963 HB1 ALA 118 1HB ALA 118 24.007 -0.375 3.576 964 HB2 ALA 118 2HB ALA 118 22.779 -0.579 4.827 965 HB3 ALA 118 3HB ALA 118 24.165 0.471 5.119 966 HA PRO 119 HA PRO 119 19.836 1.025 0.596 967 HB2 PRO 119 2HB PRO 119 21.286 1.348 -1.767 968 HB3 PRO 119 1HB PRO 119 20.522 2.684 -0.881 969 HG2 PRO 119 2HG PRO 119 23.385 1.770 -0.788 970 HG3 PRO 119 1HG PRO 119 22.737 3.423 -0.899 971 HD2 PRO 119 2HD PRO 119 23.604 2.450 1.450 972 HD3 PRO 119 1HD PRO 119 22.164 3.496 1.383 973 H GLY 120 H GLY 120 23.097 -0.352 0.563 974 HA2 GLY 120 2HA GLY 120 22.382 -3.007 0.768 975 HA3 GLY 120 1HA GLY 120 22.482 -2.705 -0.968 976 H ALA 121 H ALA 121 24.147 -4.538 0.195 977 HA ALA 121 HA ALA 121 26.762 -3.502 -0.510 978 HB1 ALA 121 1HB ALA 121 27.885 -4.163 1.584 979 HB2 ALA 121 2HB ALA 121 26.334 -4.602 2.302 980 HB3 ALA 121 3HB ALA 121 26.676 -2.919 1.902 981 H SER 122 H SER 122 26.942 -5.006 -2.112 982 HA SER 122 HA SER 122 27.027 -7.872 -1.366 983 HB2 SER 122 2HB SER 122 25.112 -7.334 -2.892 984 HB3 SER 122 1HB SER 122 26.249 -6.695 -4.083 985 HG SER 122 HG SER 122 26.456 -9.332 -3.084 Start of MODEL 12 1 H1 MET 1 1H MET 1 2.394 3.886 21.268 2 H2 MET 1 2H MET 1 2.785 2.469 22.100 3 H3 MET 1 3H MET 1 1.175 2.960 21.983 4 HA MET 1 HA MET 1 2.894 2.146 19.721 5 HB2 MET 1 2HB MET 1 2.202 0.286 21.321 6 HB3 MET 1 1HB MET 1 0.527 0.647 20.941 7 HG2 MET 1 2HG MET 1 1.034 0.091 18.535 8 HG3 MET 1 1HG MET 1 2.633 -0.442 19.053 9 HE1 MET 1 1HE MET 1 2.007 -2.781 17.781 10 HE2 MET 1 2HE MET 1 0.365 -2.230 17.434 11 HE3 MET 1 3HE MET 1 0.628 -3.778 18.239 12 H THR 2 H THR 2 0.575 4.330 20.569 13 HA THR 2 HA THR 2 -1.675 3.959 18.990 14 HB THR 2 HB THR 2 -1.912 6.509 19.054 15 HG1 THR 2 HG1 THR 2 -0.207 7.653 19.529 16 HG21 THR 2 1HG2 THR 2 -2.201 6.647 21.505 17 HG22 THR 2 2HG2 THR 2 -1.277 5.157 21.705 18 HG23 THR 2 3HG2 THR 2 -2.835 5.121 20.877 19 H SER 3 H SER 3 1.372 5.574 18.088 20 HA SER 3 HA SER 3 0.566 6.449 15.506 21 HB2 SER 3 2HB SER 3 3.382 5.990 16.568 22 HB3 SER 3 1HB SER 3 2.934 7.011 15.200 23 HG SER 3 HG SER 3 1.516 7.716 17.378 24 H THR 4 H THR 4 2.091 3.491 16.709 25 HA THR 4 HA THR 4 2.776 2.331 14.196 26 HB THR 4 HB THR 4 2.314 0.937 16.878 27 HG1 THR 4 HG1 THR 4 4.890 1.095 16.241 28 HG21 THR 4 1HG2 THR 4 3.814 -0.037 14.409 29 HG22 THR 4 2HG2 THR 4 2.269 -0.669 14.989 30 HG23 THR 4 3HG2 THR 4 3.729 -0.872 15.958 31 H VAL 5 H VAL 5 -0.050 2.106 16.336 32 HA VAL 5 HA VAL 5 -1.408 0.027 14.945 33 HB VAL 5 HB VAL 5 -2.508 2.136 16.874 34 HG11 VAL 5 1HG1 VAL 5 -4.351 1.219 15.507 35 HG12 VAL 5 2HG1 VAL 5 -4.468 0.639 17.169 36 HG13 VAL 5 3HG1 VAL 5 -3.847 -0.426 15.906 37 HG21 VAL 5 1HG2 VAL 5 -1.728 -0.761 17.373 38 HG22 VAL 5 2HG2 VAL 5 -2.383 0.356 18.573 39 HG23 VAL 5 3HG2 VAL 5 -0.792 0.650 17.868 40 H GLU 6 H GLU 6 -1.504 3.588 14.780 41 HA GLU 6 HA GLU 6 -3.428 3.894 12.738 42 HB2 GLU 6 2HB GLU 6 -0.981 5.601 13.379 43 HB3 GLU 6 1HB GLU 6 -2.228 6.067 12.226 44 HG2 GLU 6 2HG GLU 6 -3.899 6.086 14.043 45 HG3 GLU 6 1HG GLU 6 -2.639 5.639 15.196 46 H PHE 7 H PHE 7 0.115 3.469 12.619 47 HA PHE 7 HA PHE 7 0.506 3.875 9.861 48 HB2 PHE 7 2HB PHE 7 2.236 3.920 11.765 49 HB3 PHE 7 1HB PHE 7 2.267 2.167 11.683 50 HD1 PHE 7 HD1 PHE 7 2.810 5.235 9.602 51 HD2 PHE 7 HD2 PHE 7 3.807 1.107 10.188 52 HE1 PHE 7 HE1 PHE 7 4.579 5.416 7.904 53 HE2 PHE 7 HE2 PHE 7 5.569 1.302 8.481 54 HZ PHE 7 HZ PHE 7 5.957 3.455 7.344 55 H ILE 8 H ILE 8 0.131 0.843 11.713 56 HA ILE 8 HA ILE 8 0.258 -0.989 9.557 57 HB ILE 8 HB ILE 8 -1.080 -1.292 12.293 58 HG12 ILE 8 2HG1 ILE 8 1.652 -2.294 11.349 59 HG13 ILE 8 1HG1 ILE 8 1.393 -0.904 12.394 60 HG21 ILE 8 1HG2 ILE 8 -0.431 -3.477 10.276 61 HG22 ILE 8 2HG2 ILE 8 -2.046 -2.919 10.713 62 HG23 ILE 8 3HG2 ILE 8 -1.044 -3.741 11.910 63 HD11 ILE 8 1HD1 ILE 8 0.455 -2.374 14.113 64 HD12 ILE 8 2HD1 ILE 8 2.101 -2.824 13.674 65 HD13 ILE 8 3HD1 ILE 8 0.742 -3.772 13.072 66 H ASN 9 H ASN 9 -2.445 0.721 11.183 67 HA ASN 9 HA ASN 9 -4.572 -0.514 9.766 68 HB2 ASN 9 2HB ASN 9 -4.864 0.757 11.895 69 HB3 ASN 9 1HB ASN 9 -4.525 2.252 11.037 70 HD21 ASN 9 1HD2 ASN 9 -6.532 -0.441 9.831 71 HD22 ASN 9 2HD2 ASN 9 -8.006 0.455 9.827 72 H ARG 10 H ARG 10 -2.463 2.144 8.979 73 HA ARG 10 HA ARG 10 -3.883 3.158 6.721 74 HB2 ARG 10 2HB ARG 10 -0.963 3.332 7.555 75 HB3 ARG 10 1HB ARG 10 -1.596 4.113 6.115 76 HG2 ARG 10 2HG ARG 10 -3.042 5.534 7.441 77 HG3 ARG 10 1HG ARG 10 -2.588 4.683 8.917 78 HD2 ARG 10 2HD ARG 10 -0.210 5.435 8.533 79 HD3 ARG 10 1HD ARG 10 -0.797 6.414 7.183 80 HE ARG 10 HE ARG 10 -2.136 7.681 8.791 81 HH11 ARG 10 1HH1 ARG 10 0.500 5.768 10.121 82 HH12 ARG 10 2HH1 ARG 10 0.629 6.721 11.565 83 HH21 ARG 10 1HH2 ARG 10 -1.976 8.903 10.689 84 HH22 ARG 10 2HH2 ARG 10 -0.781 8.503 11.886 85 H TRP 11 H TRP 11 -1.149 0.866 7.136 86 HA TRP 11 HA TRP 11 -1.050 0.093 4.394 87 HB2 TRP 11 2HB TRP 11 0.083 -1.215 6.893 88 HB3 TRP 11 1HB TRP 11 0.297 -1.906 5.286 89 HD1 TRP 11 HD1 TRP 11 1.943 0.461 7.605 90 HE1 TRP 11 HE1 TRP 11 3.789 1.774 6.398 91 HE3 TRP 11 HE3 TRP 11 0.731 -0.646 2.741 92 HZ2 TRP 11 HZ2 TRP 11 4.620 2.307 3.773 93 HZ3 TRP 11 HZ3 TRP 11 2.102 0.334 0.937 94 HH2 TRP 11 HH2 TRP 11 4.007 1.782 1.453 95 H GLN 12 H GLN 12 -3.129 -0.925 7.028 96 HA GLN 12 HA GLN 12 -4.204 -3.270 5.821 97 HB2 GLN 12 2HB GLN 12 -5.483 -1.275 7.760 98 HB3 GLN 12 1HB GLN 12 -6.318 -2.711 7.178 99 HG2 GLN 12 2HG GLN 12 -4.560 -4.125 8.213 100 HG3 GLN 12 1HG GLN 12 -3.788 -2.671 8.844 101 HE21 GLN 12 1HE2 GLN 12 -6.582 -4.781 9.114 102 HE22 GLN 12 2HE2 GLN 12 -7.115 -4.187 10.647 103 H ARG 13 H ARG 13 -5.182 0.153 5.818 104 HA ARG 13 HA ARG 13 -7.379 0.055 4.114 105 HB2 ARG 13 2HB ARG 13 -6.788 2.030 5.497 106 HB3 ARG 13 1HB ARG 13 -5.367 2.315 4.500 107 HG2 ARG 13 2HG ARG 13 -7.042 3.896 3.820 108 HG3 ARG 13 1HG ARG 13 -6.904 2.700 2.531 109 HD2 ARG 13 2HD ARG 13 -8.931 1.542 3.456 110 HD3 ARG 13 1HD ARG 13 -9.095 2.837 4.644 111 HE ARG 13 HE ARG 13 -9.922 2.869 1.915 112 HH11 ARG 13 1HH1 ARG 13 -8.729 5.061 4.417 113 HH12 ARG 13 2HH1 ARG 13 -9.450 6.457 3.682 114 HH21 ARG 13 1HH2 ARG 13 -10.835 4.710 0.981 115 HH22 ARG 13 2HH2 ARG 13 -10.636 6.258 1.748 116 H ILE 14 H ILE 14 -3.933 0.484 3.321 117 HA ILE 14 HA ILE 14 -4.278 0.995 0.529 118 HB ILE 14 HB ILE 14 -1.793 0.100 2.069 119 HG12 ILE 14 2HG1 ILE 14 -2.537 2.926 1.173 120 HG13 ILE 14 1HG1 ILE 14 -2.817 2.312 2.798 121 HG21 ILE 14 1HG2 ILE 14 -0.487 0.954 0.162 122 HG22 ILE 14 2HG2 ILE 14 -1.977 1.331 -0.705 123 HG23 ILE 14 3HG2 ILE 14 -1.568 -0.346 -0.347 124 HD11 ILE 14 1HD1 ILE 14 -0.097 2.480 1.505 125 HD12 ILE 14 2HD1 ILE 14 -0.470 2.073 3.184 126 HD13 ILE 14 3HD1 ILE 14 -0.791 3.692 2.576 127 H ALA 15 H ALA 15 -3.187 -1.897 2.373 128 HA ALA 15 HA ALA 15 -2.701 -3.649 0.234 129 HB1 ALA 15 1HB ALA 15 -1.950 -4.050 2.555 130 HB2 ALA 15 2HB ALA 15 -2.834 -5.441 1.928 131 HB3 ALA 15 3HB ALA 15 -3.615 -4.327 3.058 132 H LEU 16 H LEU 16 -5.617 -3.069 2.110 133 HA LEU 16 HA LEU 16 -7.243 -5.101 0.908 134 HB2 LEU 16 2HB LEU 16 -7.984 -2.711 2.641 135 HB3 LEU 16 1HB LEU 16 -9.144 -3.922 2.117 136 HG LEU 16 HG LEU 16 -6.740 -4.454 3.916 137 HD11 LEU 16 1HD1 LEU 16 -8.450 -3.138 5.070 138 HD12 LEU 16 2HD1 LEU 16 -8.365 -4.768 5.729 139 HD13 LEU 16 3HD1 LEU 16 -9.685 -4.325 4.642 140 HD21 LEU 16 1HD2 LEU 16 -8.951 -6.343 3.041 141 HD22 LEU 16 2HD2 LEU 16 -7.714 -6.697 4.251 142 HD23 LEU 16 3HD2 LEU 16 -7.248 -6.423 2.574 143 H LEU 17 H LEU 17 -6.983 -1.537 0.460 144 HA LEU 17 HA LEU 17 -9.069 -1.280 -1.439 145 HB2 LEU 17 2HB LEU 17 -6.694 0.476 -0.777 146 HB3 LEU 17 1HB LEU 17 -7.649 0.841 -2.203 147 HG LEU 17 HG LEU 17 -8.657 0.835 0.670 148 HD11 LEU 17 1HD1 LEU 17 -8.279 3.125 -1.292 149 HD12 LEU 17 2HD1 LEU 17 -7.253 2.772 0.102 150 HD13 LEU 17 3HD1 LEU 17 -8.932 3.248 0.346 151 HD21 LEU 17 1HD2 LEU 17 -10.799 1.637 -0.235 152 HD22 LEU 17 2HD2 LEU 17 -10.424 0.024 -0.830 153 HD23 LEU 17 3HD2 LEU 17 -10.202 1.424 -1.883 154 H SER 18 H SER 18 -5.575 -1.854 -1.875 155 HA SER 18 HA SER 18 -5.546 -1.702 -4.704 156 HB2 SER 18 2HB SER 18 -3.339 -2.828 -4.529 157 HB3 SER 18 1HB SER 18 -3.491 -1.510 -3.367 158 HG SER 18 HG SER 18 -3.697 -2.942 -1.740 159 H GLN 19 H GLN 19 -5.941 -4.425 -2.420 160 HA GLN 19 HA GLN 19 -6.154 -6.537 -4.255 161 HB2 GLN 19 2HB GLN 19 -5.957 -6.851 -1.794 162 HB3 GLN 19 1HB GLN 19 -7.579 -6.203 -1.577 163 HG2 GLN 19 2HG GLN 19 -7.561 -8.661 -1.413 164 HG3 GLN 19 1HG GLN 19 -8.537 -8.120 -2.781 165 HE21 GLN 19 1HE2 GLN 19 -5.570 -9.677 -1.823 166 HE22 GLN 19 2HE2 GLN 19 -5.164 -10.332 -3.366 167 H SER 20 H SER 20 -8.677 -4.426 -2.882 168 HA SER 20 HA SER 20 -10.912 -5.461 -4.192 169 HB2 SER 20 2HB SER 20 -10.381 -2.601 -3.275 170 HB3 SER 20 1HB SER 20 -11.961 -3.231 -3.756 171 HG SER 20 HG SER 20 -10.382 -3.937 -1.527 172 H LEU 21 H LEU 21 -8.772 -2.765 -5.155 173 HA LEU 21 HA LEU 21 -10.165 -2.058 -7.502 174 HB2 LEU 21 2HB LEU 21 -7.301 -1.421 -6.675 175 HB3 LEU 21 1HB LEU 21 -8.136 -0.675 -8.030 176 HG LEU 21 HG LEU 21 -8.862 -0.373 -5.089 177 HD11 LEU 21 1HD1 LEU 21 -6.864 0.894 -5.686 178 HD12 LEU 21 2HD1 LEU 21 -8.212 1.981 -5.359 179 HD13 LEU 21 3HD1 LEU 21 -7.718 1.664 -7.026 180 HD21 LEU 21 1HD2 LEU 21 -10.901 -0.385 -6.418 181 HD22 LEU 21 2HD2 LEU 21 -10.239 0.846 -7.497 182 HD23 LEU 21 3HD2 LEU 21 -10.573 1.235 -5.807 183 H LEU 22 H LEU 22 -7.672 -4.448 -6.847 184 HA LEU 22 HA LEU 22 -6.904 -4.939 -9.553 185 HB2 LEU 22 2HB LEU 22 -5.506 -5.714 -7.674 186 HB3 LEU 22 1HB LEU 22 -6.789 -6.790 -7.142 187 HG LEU 22 HG LEU 22 -6.559 -8.111 -9.260 188 HD11 LEU 22 1HD1 LEU 22 -4.217 -6.288 -9.887 189 HD12 LEU 22 2HD1 LEU 22 -5.748 -6.368 -10.762 190 HD13 LEU 22 3HD1 LEU 22 -4.660 -7.752 -10.770 191 HD21 LEU 22 1HD2 LEU 22 -4.443 -9.205 -8.732 192 HD22 LEU 22 2HD2 LEU 22 -5.329 -8.814 -7.259 193 HD23 LEU 22 3HD2 LEU 22 -3.949 -7.825 -7.749 194 H GLU 23 H GLU 23 -9.127 -6.643 -7.316 195 HA GLU 23 HA GLU 23 -10.214 -8.520 -9.097 196 HB2 GLU 23 2HB GLU 23 -11.588 -7.156 -6.742 197 HB3 GLU 23 1HB GLU 23 -12.127 -8.651 -7.510 198 HG2 GLU 23 2HG GLU 23 -10.076 -9.789 -6.788 199 HG3 GLU 23 1HG GLU 23 -9.476 -8.288 -6.081 200 H LEU 24 H LEU 24 -11.344 -5.308 -8.211 201 HA LEU 24 HA LEU 24 -13.689 -5.149 -9.697 202 HB2 LEU 24 2HB LEU 24 -11.856 -2.944 -8.664 203 HB3 LEU 24 1HB LEU 24 -13.432 -2.637 -9.378 204 HG LEU 24 HG LEU 24 -12.940 -4.223 -6.827 205 HD11 LEU 24 1HD1 LEU 24 -12.483 -1.859 -6.483 206 HD12 LEU 24 2HD1 LEU 24 -13.960 -2.329 -5.645 207 HD13 LEU 24 3HD1 LEU 24 -14.054 -1.424 -7.159 208 HD21 LEU 24 1HD2 LEU 24 -14.905 -5.069 -7.979 209 HD22 LEU 24 2HD2 LEU 24 -15.565 -3.436 -8.122 210 HD23 LEU 24 3HD2 LEU 24 -15.383 -4.182 -6.532 211 H ALA 25 H ALA 25 -10.343 -4.141 -10.511 212 HA ALA 25 HA ALA 25 -10.816 -3.020 -13.046 213 HB1 ALA 25 1HB ALA 25 -8.634 -2.893 -11.864 214 HB2 ALA 25 2HB ALA 25 -8.466 -3.446 -13.532 215 HB3 ALA 25 3HB ALA 25 -8.369 -4.604 -12.200 216 H GLN 26 H GLN 26 -10.046 -6.373 -12.116 217 HA GLN 26 HA GLN 26 -10.053 -7.500 -14.709 218 HB2 GLN 26 2HB GLN 26 -10.570 -8.845 -12.020 219 HB3 GLN 26 1HB GLN 26 -10.235 -9.698 -13.526 220 HG2 GLN 26 2HG GLN 26 -7.993 -8.679 -13.627 221 HG3 GLN 26 1HG GLN 26 -8.319 -7.782 -12.145 222 HE21 GLN 26 1HE2 GLN 26 -6.154 -9.619 -12.585 223 HE22 GLN 26 2HE2 GLN 26 -6.346 -10.915 -11.455 224 H ARG 27 H ARG 27 -12.659 -6.822 -12.448 225 HA ARG 27 HA ARG 27 -14.710 -8.337 -13.815 226 HB2 ARG 27 2HB ARG 27 -14.928 -6.139 -11.701 227 HB3 ARG 27 1HB ARG 27 -16.268 -7.148 -12.239 228 HG2 ARG 27 2HG ARG 27 -15.309 -9.112 -11.238 229 HG3 ARG 27 1HG ARG 27 -13.776 -8.293 -10.951 230 HD2 ARG 27 2HD ARG 27 -15.051 -6.711 -9.399 231 HD3 ARG 27 1HD ARG 27 -16.417 -7.824 -9.536 232 HE ARG 27 HE ARG 27 -14.077 -9.239 -8.759 233 HH11 ARG 27 1HH1 ARG 27 -16.472 -7.019 -7.414 234 HH12 ARG 27 2HH1 ARG 27 -16.243 -7.576 -5.786 235 HH21 ARG 27 1HH2 ARG 27 -13.774 -9.926 -6.583 236 HH22 ARG 27 2HH2 ARG 27 -14.727 -9.207 -5.320 237 H GLY 28 H GLY 28 -13.384 -5.103 -14.039 238 HA2 GLY 28 2HA GLY 28 -13.672 -3.636 -15.862 239 HA3 GLY 28 1HA GLY 28 -15.223 -4.369 -16.230 240 H GLU 29 H GLU 29 -14.516 -3.528 -12.973 241 HA GLU 29 HA GLU 29 -16.556 -1.469 -12.816 242 HB2 GLU 29 2HB GLU 29 -14.719 -2.543 -10.636 243 HB3 GLU 29 1HB GLU 29 -16.216 -1.656 -10.400 244 HG2 GLU 29 2HG GLU 29 -16.048 -4.411 -11.648 245 HG3 GLU 29 1HG GLU 29 -16.332 -4.126 -9.934 246 H TRP 30 H TRP 30 -14.824 -0.345 -14.419 247 HA TRP 30 HA TRP 30 -12.366 0.656 -13.513 248 HB2 TRP 30 2HB TRP 30 -14.113 1.888 -15.693 249 HB3 TRP 30 1HB TRP 30 -12.363 2.050 -15.527 250 HD1 TRP 30 HD1 TRP 30 -14.816 0.109 -17.446 251 HE1 TRP 30 HE1 TRP 30 -13.779 -2.024 -18.432 252 HE3 TRP 30 HE3 TRP 30 -10.469 -0.019 -14.737 253 HZ2 TRP 30 HZ2 TRP 30 -11.447 -3.548 -18.121 254 HZ3 TRP 30 HZ3 TRP 30 -8.892 -1.856 -15.147 255 HH2 TRP 30 HH2 TRP 30 -9.380 -3.584 -16.807 256 H ASP 31 H ASP 31 -15.588 1.954 -13.306 257 HA ASP 31 HA ASP 31 -15.141 4.653 -12.741 258 HB2 ASP 31 2HB ASP 31 -17.406 3.002 -11.537 259 HB3 ASP 31 1HB ASP 31 -17.414 4.720 -11.927 260 H LEU 32 H LEU 32 -15.254 1.823 -10.631 261 HA LEU 32 HA LEU 32 -15.176 3.199 -8.135 262 HB2 LEU 32 2HB LEU 32 -14.535 0.291 -8.786 263 HB3 LEU 32 1HB LEU 32 -14.772 0.933 -7.166 264 HG LEU 32 HG LEU 32 -16.895 0.771 -9.349 265 HD11 LEU 32 1HD1 LEU 32 -16.360 -1.411 -8.368 266 HD12 LEU 32 2HD1 LEU 32 -17.985 -0.890 -7.930 267 HD13 LEU 32 3HD1 LEU 32 -16.674 -0.775 -6.750 268 HD21 LEU 32 1HD2 LEU 32 -18.494 1.562 -7.655 269 HD22 LEU 32 2HD2 LEU 32 -17.256 2.771 -7.983 270 HD23 LEU 32 3HD2 LEU 32 -17.175 1.806 -6.506 271 H LEU 33 H LEU 33 -12.707 1.896 -10.303 272 HA LEU 33 HA LEU 33 -10.456 2.249 -8.584 273 HB2 LEU 33 2HB LEU 33 -10.710 2.014 -11.599 274 HB3 LEU 33 1HB LEU 33 -9.166 2.393 -10.857 275 HG LEU 33 HG LEU 33 -9.329 0.226 -9.552 276 HD11 LEU 33 1HD1 LEU 33 -11.636 -0.391 -11.407 277 HD12 LEU 33 2HD1 LEU 33 -11.731 -0.160 -9.659 278 HD13 LEU 33 3HD1 LEU 33 -10.839 -1.532 -10.316 279 HD21 LEU 33 1HD2 LEU 33 -9.296 -0.062 -12.568 280 HD22 LEU 33 2HD2 LEU 33 -8.586 -1.172 -11.394 281 HD23 LEU 33 3HD2 LEU 33 -7.937 0.454 -11.566 282 H LEU 34 H LEU 34 -12.020 4.334 -11.014 283 HA LEU 34 HA LEU 34 -10.132 6.462 -10.925 284 HB2 LEU 34 2HB LEU 34 -13.062 6.577 -11.736 285 HB3 LEU 34 1HB LEU 34 -11.842 7.782 -12.128 286 HG LEU 34 HG LEU 34 -11.964 4.925 -13.165 287 HD11 LEU 34 1HD1 LEU 34 -12.318 5.946 -15.363 288 HD12 LEU 34 2HD1 LEU 34 -12.339 7.551 -14.626 289 HD13 LEU 34 3HD1 LEU 34 -13.596 6.376 -14.227 290 HD21 LEU 34 1HD2 LEU 34 -9.626 5.543 -12.829 291 HD22 LEU 34 2HD2 LEU 34 -9.859 7.026 -13.758 292 HD23 LEU 34 3HD2 LEU 34 -10.009 5.454 -14.547 293 H GLN 35 H GLN 35 -13.126 5.859 -9.117 294 HA GLN 35 HA GLN 35 -13.227 8.385 -7.761 295 HB2 GLN 35 2HB GLN 35 -14.522 5.696 -7.130 296 HB3 GLN 35 1HB GLN 35 -14.849 7.169 -6.215 297 HG2 GLN 35 2HG GLN 35 -15.810 8.242 -8.156 298 HG3 GLN 35 1HG GLN 35 -15.333 6.901 -9.194 299 HE21 GLN 35 1HE2 GLN 35 -18.001 8.028 -8.721 300 HE22 GLN 35 2HE2 GLN 35 -18.973 6.711 -8.164 301 H GLN 36 H GLN 36 -12.239 5.098 -6.720 302 HA GLN 36 HA GLN 36 -11.288 5.916 -4.167 303 HB2 GLN 36 2HB GLN 36 -10.870 3.352 -5.751 304 HB3 GLN 36 1HB GLN 36 -10.185 3.596 -4.147 305 HG2 GLN 36 2HG GLN 36 -13.139 3.689 -4.805 306 HG3 GLN 36 1HG GLN 36 -12.293 2.320 -4.091 307 HE21 GLN 36 1HE2 GLN 36 -14.522 3.959 -3.051 308 HE22 GLN 36 2HE2 GLN 36 -13.991 4.549 -1.510 309 H GLU 37 H GLU 37 -9.817 6.099 -7.298 310 HA GLU 37 HA GLU 37 -7.117 5.882 -6.840 311 HB2 GLU 37 2HB GLU 37 -8.106 6.400 -9.070 312 HB3 GLU 37 1HB GLU 37 -8.460 8.042 -8.534 313 HG2 GLU 37 2HG GLU 37 -5.973 8.353 -8.159 314 HG3 GLU 37 1HG GLU 37 -5.724 6.786 -8.920 315 H VAL 38 H VAL 38 -9.183 8.687 -6.143 316 HA VAL 38 HA VAL 38 -7.160 10.513 -5.433 317 HB VAL 38 HB VAL 38 -10.080 10.502 -4.542 318 HG11 VAL 38 1HG1 VAL 38 -8.089 12.801 -4.618 319 HG12 VAL 38 2HG1 VAL 38 -8.731 12.032 -3.165 320 HG13 VAL 38 3HG1 VAL 38 -9.807 12.942 -4.228 321 HG21 VAL 38 1HG2 VAL 38 -9.885 10.422 -6.995 322 HG22 VAL 38 2HG2 VAL 38 -8.796 11.812 -6.975 323 HG23 VAL 38 3HG2 VAL 38 -10.481 12.002 -6.479 324 H SER 39 H SER 39 -9.327 8.574 -3.334 325 HA SER 39 HA SER 39 -8.199 9.451 -0.865 326 HB2 SER 39 2HB SER 39 -9.584 7.536 0.090 327 HB3 SER 39 1HB SER 39 -10.488 8.688 -0.894 328 HG SER 39 HG SER 39 -10.037 6.023 -1.313 329 H TYR 40 H TYR 40 -7.684 6.612 -2.896 330 HA TYR 40 HA TYR 40 -6.168 5.029 -1.111 331 HB2 TYR 40 2HB TYR 40 -7.267 4.041 -3.048 332 HB3 TYR 40 1HB TYR 40 -6.362 5.066 -4.149 333 HD1 TYR 40 HD1 TYR 40 -5.550 2.594 -1.409 334 HD2 TYR 40 HD2 TYR 40 -4.730 3.948 -5.380 335 HE1 TYR 40 HE1 TYR 40 -3.892 0.805 -1.681 336 HE2 TYR 40 HE2 TYR 40 -3.070 2.163 -5.643 337 HH TYR 40 HH TYR 40 -1.650 0.751 -4.221 338 H LEU 41 H LEU 41 -5.175 7.222 -3.756 339 HA LEU 41 HA LEU 41 -2.372 6.844 -3.332 340 HB2 LEU 41 2HB LEU 41 -3.835 8.983 -4.908 341 HB3 LEU 41 1HB LEU 41 -2.100 8.700 -4.964 342 HG LEU 41 HG LEU 41 -4.263 6.774 -5.897 343 HD11 LEU 41 1HD1 LEU 41 -3.936 8.674 -7.394 344 HD12 LEU 41 2HD1 LEU 41 -3.400 7.169 -8.131 345 HD13 LEU 41 3HD1 LEU 41 -2.210 8.310 -7.500 346 HD21 LEU 41 1HD2 LEU 41 -1.254 6.380 -5.944 347 HD22 LEU 41 2HD2 LEU 41 -2.445 5.329 -6.713 348 HD23 LEU 41 3HD2 LEU 41 -2.417 5.486 -4.960 349 H GLN 42 H GLN 42 -4.750 9.250 -2.278 350 HA GLN 42 HA GLN 42 -3.078 11.123 -1.046 351 HB2 GLN 42 2HB GLN 42 -5.527 11.445 -1.313 352 HB3 GLN 42 1HB GLN 42 -5.833 10.177 -0.132 353 HG2 GLN 42 2HG GLN 42 -4.718 11.551 1.609 354 HG3 GLN 42 1HG GLN 42 -4.453 12.829 0.425 355 HE21 GLN 42 1HE2 GLN 42 -5.929 12.904 2.932 356 HE22 GLN 42 2HE2 GLN 42 -7.537 13.394 2.540 357 H SER 43 H SER 43 -4.598 8.194 0.283 358 HA SER 43 HA SER 43 -3.564 8.256 2.867 359 HB2 SER 43 2HB SER 43 -4.351 5.839 1.177 360 HB3 SER 43 1HB SER 43 -4.043 5.787 2.913 361 HG SER 43 HG SER 43 -5.987 7.465 1.709 362 H ILE 44 H ILE 44 -2.309 6.544 -0.020 363 HA ILE 44 HA ILE 44 -0.284 5.157 1.360 364 HB ILE 44 HB ILE 44 -1.372 4.505 -0.843 365 HG12 ILE 44 2HG1 ILE 44 1.669 4.356 -0.901 366 HG13 ILE 44 1HG1 ILE 44 0.644 3.325 0.096 367 HG21 ILE 44 1HG2 ILE 44 0.662 6.363 -2.103 368 HG22 ILE 44 2HG2 ILE 44 -1.076 6.626 -2.055 369 HG23 ILE 44 3HG2 ILE 44 -0.425 5.261 -2.959 370 HD11 ILE 44 1HD1 ILE 44 0.663 3.449 -2.921 371 HD12 ILE 44 2HD1 ILE 44 -0.437 2.464 -1.947 372 HD13 ILE 44 3HD1 ILE 44 1.294 2.157 -1.897 373 H GLU 45 H GLU 45 -0.155 8.226 -0.499 374 HA GLU 45 HA GLU 45 2.654 8.635 -0.169 375 HB2 GLU 45 2HB GLU 45 0.468 10.700 -0.665 376 HB3 GLU 45 1HB GLU 45 2.199 11.008 -0.793 377 HG2 GLU 45 2HG GLU 45 0.490 9.238 -2.551 378 HG3 GLU 45 1HG GLU 45 1.349 10.704 -3.005 379 H THR 46 H THR 46 -0.198 9.561 1.747 380 HA THR 46 HA THR 46 1.121 11.114 3.716 381 HB THR 46 HB THR 46 -1.503 9.570 3.848 382 HG1 THR 46 HG1 THR 46 -1.256 11.369 2.338 383 HG21 THR 46 1HG2 THR 46 -0.744 9.990 6.171 384 HG22 THR 46 2HG2 THR 46 -2.129 11.009 5.770 385 HG23 THR 46 3HG2 THR 46 -0.504 11.696 5.786 386 H VAL 47 H VAL 47 0.822 7.604 3.336 387 HA VAL 47 HA VAL 47 1.608 6.960 6.053 388 HB VAL 47 HB VAL 47 1.759 5.039 3.684 389 HG11 VAL 47 1HG1 VAL 47 1.393 4.544 6.668 390 HG12 VAL 47 2HG1 VAL 47 2.868 4.254 5.744 391 HG13 VAL 47 3HG1 VAL 47 1.421 3.298 5.417 392 HG21 VAL 47 1HG2 VAL 47 -0.470 5.894 3.625 393 HG22 VAL 47 2HG2 VAL 47 -0.648 5.765 5.369 394 HG23 VAL 47 3HG2 VAL 47 -0.552 4.309 4.382 395 H MET 48 H MET 48 3.213 7.009 2.850 396 HA MET 48 HA MET 48 5.839 6.459 3.928 397 HB2 MET 48 2HB MET 48 4.978 7.538 1.216 398 HB3 MET 48 1HB MET 48 6.647 7.161 1.631 399 HG2 MET 48 2HG MET 48 5.983 4.795 2.033 400 HG3 MET 48 1HG MET 48 4.343 5.192 1.520 401 HE1 MET 48 1HE MET 48 4.843 7.203 -0.951 402 HE2 MET 48 2HE MET 48 3.680 5.874 -0.944 403 HE3 MET 48 3HE MET 48 4.832 6.033 -2.270 404 H GLU 49 H GLU 49 3.878 9.285 3.781 405 HA GLU 49 HA GLU 49 6.000 11.191 4.290 406 HB2 GLU 49 2HB GLU 49 3.812 11.853 3.282 407 HB3 GLU 49 1HB GLU 49 2.988 11.392 4.765 408 HG2 GLU 49 2HG GLU 49 3.237 13.821 4.610 409 HG3 GLU 49 1HG GLU 49 4.134 13.178 5.986 410 H LYS 50 H LYS 50 3.772 9.198 6.175 411 HA LYS 50 HA LYS 50 4.500 10.209 8.744 412 HB2 LYS 50 2HB LYS 50 2.735 8.039 7.744 413 HB3 LYS 50 1HB LYS 50 3.555 7.600 9.233 414 HG2 LYS 50 2HG LYS 50 1.384 8.551 9.728 415 HG3 LYS 50 1HG LYS 50 2.660 9.603 10.343 416 HD2 LYS 50 2HD LYS 50 2.345 11.100 8.380 417 HD3 LYS 50 1HD LYS 50 1.062 10.040 7.787 418 HE2 LYS 50 2HE LYS 50 -0.279 10.529 9.798 419 HE3 LYS 50 1HE LYS 50 1.020 11.555 10.416 420 HZ1 LYS 50 1HZ LYS 50 -0.662 12.901 9.390 421 HZ2 LYS 50 2HZ LYS 50 -0.563 12.025 7.950 422 HZ3 LYS 50 3HZ LYS 50 0.741 12.973 8.450 423 H GLN 51 H GLN 51 6.261 9.858 9.819 424 HA GLN 51 HA GLN 51 8.484 8.371 8.932 425 HB2 GLN 51 2HB GLN 51 8.601 10.375 10.387 426 HB3 GLN 51 1HB GLN 51 7.815 9.494 11.689 427 HG2 GLN 51 2HG GLN 51 9.775 7.976 11.818 428 HG3 GLN 51 1HG GLN 51 10.563 8.894 10.538 429 HE21 GLN 51 1HE2 GLN 51 9.650 11.514 11.580 430 HE22 GLN 51 2HE2 GLN 51 10.614 11.810 12.982 431 H THR 52 H THR 52 9.385 6.403 9.744 432 HA THR 52 HA THR 52 7.725 4.297 10.504 433 HB THR 52 HB THR 52 10.702 4.485 11.145 434 HG1 THR 52 HG1 THR 52 10.974 3.617 9.007 435 HG21 THR 52 1HG2 THR 52 8.934 2.084 10.494 436 HG22 THR 52 2HG2 THR 52 9.562 2.496 12.091 437 HG23 THR 52 3HG2 THR 52 10.671 2.031 10.803 438 HA PRO 53 HA PRO 53 7.059 5.721 14.799 439 HB2 PRO 53 2HB PRO 53 5.492 3.603 15.647 440 HB3 PRO 53 1HB PRO 53 4.878 4.917 14.627 441 HG2 PRO 53 2HG PRO 53 5.818 2.185 13.794 442 HG3 PRO 53 1HG PRO 53 4.363 3.075 13.285 443 HD2 PRO 53 2HD PRO 53 6.555 3.005 11.731 444 HD3 PRO 53 1HD PRO 53 5.546 4.468 11.835 445 HA PRO 54 HA PRO 54 10.277 3.743 17.233 446 HB2 PRO 54 2HB PRO 54 8.441 3.969 19.616 447 HB3 PRO 54 1HB PRO 54 10.097 4.585 19.400 448 HG2 PRO 54 2HG PRO 54 8.048 6.270 19.311 449 HG3 PRO 54 1HG PRO 54 9.401 6.445 18.168 450 HD2 PRO 54 2HD PRO 54 6.671 5.256 17.685 451 HD3 PRO 54 1HD PRO 54 7.625 6.351 16.653 452 H GLY 55 H GLY 55 6.991 2.606 18.036 453 HA2 GLY 55 2HA GLY 55 7.866 0.085 19.116 454 HA3 GLY 55 1HA GLY 55 6.217 0.612 18.865 455 H ILE 56 H ILE 56 9.060 -0.407 16.936 456 HA ILE 56 HA ILE 56 7.295 -2.028 15.198 457 HB ILE 56 HB ILE 56 10.281 -1.451 14.846 458 HG12 ILE 56 2HG1 ILE 56 8.851 0.627 14.584 459 HG13 ILE 56 1HG1 ILE 56 9.762 0.187 13.147 460 HG21 ILE 56 1HG2 ILE 56 8.280 -2.745 12.939 461 HG22 ILE 56 2HG2 ILE 56 9.610 -3.549 13.775 462 HG23 ILE 56 3HG2 ILE 56 9.952 -2.341 12.539 463 HD11 ILE 56 1HD1 ILE 56 6.830 -0.354 13.585 464 HD12 ILE 56 2HD1 ILE 56 7.761 -0.707 12.123 465 HD13 ILE 56 3HD1 ILE 56 7.521 0.961 12.637 466 H THR 57 H THR 57 6.954 -3.969 16.300 467 HA THR 57 HA THR 57 9.248 -5.440 17.402 468 HB THR 57 HB THR 57 7.631 -7.189 18.009 469 HG1 THR 57 HG1 THR 57 5.329 -6.667 17.570 470 HG21 THR 57 1HG2 THR 57 7.828 -5.276 19.574 471 HG22 THR 57 2HG2 THR 57 6.200 -5.953 19.591 472 HG23 THR 57 3HG2 THR 57 6.516 -4.446 18.728 473 H ARG 58 H ARG 58 9.214 -7.888 16.603 474 HA ARG 58 HA ARG 58 10.089 -7.918 13.934 475 HB2 ARG 58 2HB ARG 58 10.835 -9.540 15.704 476 HB3 ARG 58 1HB ARG 58 9.248 -10.299 15.656 477 HG2 ARG 58 2HG ARG 58 10.876 -11.621 14.391 478 HG3 ARG 58 1HG ARG 58 9.640 -10.975 13.305 479 HD2 ARG 58 2HD ARG 58 11.204 -9.150 12.649 480 HD3 ARG 58 1HD ARG 58 12.434 -9.850 13.706 481 HE ARG 58 HE ARG 58 12.574 -11.737 12.262 482 HH11 ARG 58 1HH1 ARG 58 10.599 -9.150 10.916 483 HH12 ARG 58 2HH1 ARG 58 10.741 -9.735 9.292 484 HH21 ARG 58 1HH2 ARG 58 12.767 -12.462 10.130 485 HH22 ARG 58 2HH2 ARG 58 11.972 -11.609 8.849 486 H SER 59 H SER 59 7.117 -9.223 15.432 487 HA SER 59 HA SER 59 5.818 -10.196 13.174 488 HB2 SER 59 2HB SER 59 4.571 -9.022 15.692 489 HB3 SER 59 1HB SER 59 3.756 -10.093 14.545 490 HG SER 59 HG SER 59 4.795 -11.007 16.544 491 H ILE 60 H ILE 60 5.793 -6.927 14.579 492 HA ILE 60 HA ILE 60 3.813 -5.756 12.930 493 HB ILE 60 HB ILE 60 6.102 -4.548 14.533 494 HG12 ILE 60 2HG1 ILE 60 3.080 -4.463 14.967 495 HG13 ILE 60 1HG1 ILE 60 4.172 -5.591 15.759 496 HG21 ILE 60 1HG2 ILE 60 3.986 -2.961 13.031 497 HG22 ILE 60 2HG2 ILE 60 5.715 -2.974 12.675 498 HG23 ILE 60 3HG2 ILE 60 5.132 -2.291 14.195 499 HD11 ILE 60 1HD1 ILE 60 3.530 -3.745 17.208 500 HD12 ILE 60 2HD1 ILE 60 4.241 -2.593 16.080 501 HD13 ILE 60 3HD1 ILE 60 5.265 -3.763 16.911 502 H GLN 61 H GLN 61 7.374 -5.858 12.612 503 HA GLN 61 HA GLN 61 7.690 -4.402 10.246 504 HB2 GLN 61 2HB GLN 61 9.573 -5.068 11.682 505 HB3 GLN 61 1HB GLN 61 9.302 -6.765 11.305 506 HG2 GLN 61 2HG GLN 61 9.861 -6.237 8.895 507 HG3 GLN 61 1HG GLN 61 10.292 -4.605 9.414 508 HE21 GLN 61 1HE2 GLN 61 12.456 -4.907 8.727 509 HE22 GLN 61 2HE2 GLN 61 13.565 -5.893 9.609 510 H ASP 62 H ASP 62 7.028 -7.876 10.733 511 HA ASP 62 HA ASP 62 7.088 -8.607 7.969 512 HB2 ASP 62 2HB ASP 62 5.874 -10.009 10.382 513 HB3 ASP 62 1HB ASP 62 5.913 -10.722 8.771 514 H MET 63 H MET 63 4.436 -7.618 10.146 515 HA MET 63 HA MET 63 2.320 -8.327 8.353 516 HB2 MET 63 2HB MET 63 2.315 -6.495 10.793 517 HB3 MET 63 1HB MET 63 0.871 -6.844 9.851 518 HG2 MET 63 2HG MET 63 1.143 -9.257 10.371 519 HG3 MET 63 1HG MET 63 2.523 -8.856 11.391 520 HE1 MET 63 1HE MET 63 1.475 -6.069 12.795 521 HE2 MET 63 2HE MET 63 2.321 -7.366 13.641 522 HE3 MET 63 3HE MET 63 0.788 -6.758 14.265 523 H VAL 64 H VAL 64 4.020 -5.306 9.060 524 HA VAL 64 HA VAL 64 2.565 -3.602 7.338 525 HB VAL 64 HB VAL 64 5.414 -3.365 8.433 526 HG11 VAL 64 1HG1 VAL 64 3.794 -1.261 6.956 527 HG12 VAL 64 2HG1 VAL 64 5.281 -2.019 6.391 528 HG13 VAL 64 3HG1 VAL 64 5.314 -0.955 7.798 529 HG21 VAL 64 1HG2 VAL 64 2.827 -2.001 9.290 530 HG22 VAL 64 2HG2 VAL 64 4.415 -1.720 10.007 531 HG23 VAL 64 3HG2 VAL 64 3.644 -3.301 10.158 532 H ALA 65 H ALA 65 5.777 -5.225 6.860 533 HA ALA 65 HA ALA 65 6.075 -4.475 4.147 534 HB1 ALA 65 1HB ALA 65 7.895 -6.092 4.017 535 HB2 ALA 65 2HB ALA 65 7.351 -6.865 5.517 536 HB3 ALA 65 3HB ALA 65 7.976 -5.217 5.549 537 H GLY 66 H GLY 66 4.413 -7.200 5.633 538 HA2 GLY 66 2HA GLY 66 4.009 -8.814 3.315 539 HA3 GLY 66 1HA GLY 66 3.043 -8.844 4.784 540 H TYR 67 H TYR 67 2.110 -6.228 4.840 541 HA TYR 67 HA TYR 67 -0.047 -6.239 2.977 542 HB2 TYR 67 2HB TYR 67 0.913 -4.181 4.997 543 HB3 TYR 67 1HB TYR 67 -0.482 -3.889 3.959 544 HD1 TYR 67 HD1 TYR 67 -0.782 -7.306 4.516 545 HD2 TYR 67 HD2 TYR 67 -1.061 -3.616 6.658 546 HE1 TYR 67 HE1 TYR 67 -2.275 -8.369 6.150 547 HE2 TYR 67 HE2 TYR 67 -2.551 -4.678 8.265 548 HH TYR 67 HH TYR 67 -2.977 -8.049 8.466 549 H ILE 68 H ILE 68 3.000 -4.384 3.188 550 HA ILE 68 HA ILE 68 2.583 -2.656 1.004 551 HB ILE 68 HB ILE 68 5.335 -3.779 1.757 552 HG12 ILE 68 2HG1 ILE 68 3.982 -1.293 2.917 553 HG13 ILE 68 1HG1 ILE 68 4.281 -2.788 3.782 554 HG21 ILE 68 1HG2 ILE 68 4.557 -1.167 0.377 555 HG22 ILE 68 2HG2 ILE 68 5.250 -2.585 -0.414 556 HG23 ILE 68 3HG2 ILE 68 6.204 -1.678 0.759 557 HD11 ILE 68 1HD1 ILE 68 5.902 -1.099 4.392 558 HD12 ILE 68 2HD1 ILE 68 6.393 -0.929 2.706 559 HD13 ILE 68 3HD1 ILE 68 6.694 -2.442 3.565 560 H LYS 69 H LYS 69 3.951 -5.939 1.239 561 HA LYS 69 HA LYS 69 4.701 -6.360 -1.425 562 HB2 LYS 69 2HB LYS 69 5.422 -7.882 0.359 563 HB3 LYS 69 1HB LYS 69 3.764 -8.357 0.689 564 HG2 LYS 69 2HG LYS 69 5.026 -10.093 -0.547 565 HG3 LYS 69 1HG LYS 69 3.612 -9.525 -1.438 566 HD2 LYS 69 2HD LYS 69 5.041 -8.134 -2.876 567 HD3 LYS 69 1HD LYS 69 6.473 -8.600 -1.950 568 HE2 LYS 69 2HE LYS 69 6.323 -10.877 -2.729 569 HE3 LYS 69 1HE LYS 69 4.723 -10.594 -3.426 570 HZ1 LYS 69 1HZ LYS 69 5.686 -9.121 -5.038 571 HZ2 LYS 69 2HZ LYS 69 6.491 -10.607 -5.090 572 HZ3 LYS 69 3HZ LYS 69 7.223 -9.280 -4.345 573 H GLN 70 H GLN 70 1.593 -6.992 0.244 574 HA GLN 70 HA GLN 70 0.273 -8.220 -1.908 575 HB2 GLN 70 2HB GLN 70 -0.598 -8.205 0.453 576 HB3 GLN 70 1HB GLN 70 -1.068 -6.517 0.240 577 HG2 GLN 70 2HG GLN 70 -2.551 -7.185 -1.634 578 HG3 GLN 70 1HG GLN 70 -2.097 -8.869 -1.385 579 HE21 GLN 70 1HE2 GLN 70 -4.159 -9.552 -0.974 580 HE22 GLN 70 2HE2 GLN 70 -5.058 -9.102 0.433 581 H THR 71 H THR 71 0.484 -4.738 -0.987 582 HA THR 71 HA THR 71 -1.230 -3.936 -3.169 583 HB THR 71 HB THR 71 -1.459 -2.478 -1.341 584 HG1 THR 71 HG1 THR 71 -1.195 -1.422 -3.436 585 HG21 THR 71 1HG2 THR 71 0.575 -2.946 -0.090 586 HG22 THR 71 2HG2 THR 71 0.343 -1.211 -0.265 587 HG23 THR 71 3HG2 THR 71 1.538 -2.053 -1.261 588 H LEU 72 H LEU 72 2.212 -4.475 -2.805 589 HA LEU 72 HA LEU 72 3.105 -2.980 -5.051 590 HB2 LEU 72 2HB LEU 72 4.293 -5.558 -3.914 591 HB3 LEU 72 1HB LEU 72 5.047 -4.591 -5.168 592 HG LEU 72 HG LEU 72 4.690 -3.886 -2.248 593 HD11 LEU 72 1HD1 LEU 72 7.107 -3.630 -2.225 594 HD12 LEU 72 2HD1 LEU 72 7.185 -4.057 -3.938 595 HD13 LEU 72 3HD1 LEU 72 6.638 -5.247 -2.754 596 HD21 LEU 72 1HD2 LEU 72 4.078 -1.898 -3.440 597 HD22 LEU 72 2HD2 LEU 72 5.530 -1.996 -4.449 598 HD23 LEU 72 3HD2 LEU 72 5.671 -1.683 -2.715 599 H ASP 73 H ASP 73 2.150 -6.401 -4.675 600 HA ASP 73 HA ASP 73 2.437 -7.141 -7.388 601 HB2 ASP 73 2HB ASP 73 0.655 -8.413 -5.264 602 HB3 ASP 73 1HB ASP 73 1.122 -9.162 -6.789 603 H ASN 74 H ASN 74 -0.498 -6.360 -5.489 604 HA ASN 74 HA ASN 74 -2.445 -6.699 -7.453 605 HB2 ASN 74 2HB ASN 74 -2.461 -4.749 -5.105 606 HB3 ASN 74 1HB ASN 74 -3.874 -5.113 -6.090 607 HD21 ASN 74 1HD2 ASN 74 -3.494 -5.437 -3.262 608 HD22 ASN 74 2HD2 ASN 74 -3.800 -7.099 -2.923 609 H GLU 75 H GLU 75 -0.770 -3.684 -6.493 610 HA GLU 75 HA GLU 75 -2.199 -2.054 -8.375 611 HB2 GLU 75 2HB GLU 75 -1.198 -1.354 -6.098 612 HB3 GLU 75 1HB GLU 75 0.357 -1.295 -6.915 613 HG2 GLU 75 2HG GLU 75 -0.827 0.344 -8.571 614 HG3 GLU 75 1HG GLU 75 -2.062 0.465 -7.316 615 H GLN 76 H GLN 76 0.917 -3.756 -8.402 616 HA GLN 76 HA GLN 76 2.055 -2.500 -10.712 617 HB2 GLN 76 2HB GLN 76 3.422 -3.768 -9.088 618 HB3 GLN 76 1HB GLN 76 2.588 -5.253 -9.511 619 HG2 GLN 76 2HG GLN 76 3.567 -5.189 -11.754 620 HG3 GLN 76 1HG GLN 76 4.345 -3.652 -11.387 621 HE21 GLN 76 1HE2 GLN 76 4.148 -6.349 -9.091 622 HE22 GLN 76 2HE2 GLN 76 5.838 -6.705 -9.104 623 H LEU 77 H LEU 77 0.069 -5.407 -10.218 624 HA LEU 77 HA LEU 77 -0.152 -6.244 -12.910 625 HB2 LEU 77 2HB LEU 77 -2.059 -6.567 -10.559 626 HB3 LEU 77 1HB LEU 77 -2.338 -7.318 -12.121 627 HG LEU 77 HG LEU 77 0.041 -7.900 -10.306 628 HD11 LEU 77 1HD1 LEU 77 -1.026 -10.071 -9.883 629 HD12 LEU 77 2HD1 LEU 77 -2.428 -9.585 -10.843 630 HD13 LEU 77 3HD1 LEU 77 -2.048 -8.739 -9.341 631 HD21 LEU 77 1HD2 LEU 77 -0.797 -9.254 -12.891 632 HD22 LEU 77 2HD2 LEU 77 0.537 -9.740 -11.842 633 HD23 LEU 77 3HD2 LEU 77 0.599 -8.192 -12.678 634 H LEU 78 H LEU 78 -2.033 -3.960 -10.918 635 HA LEU 78 HA LEU 78 -3.947 -3.181 -12.807 636 HB2 LEU 78 2HB LEU 78 -2.754 -1.654 -10.464 637 HB3 LEU 78 1HB LEU 78 -4.044 -0.987 -11.454 638 HG LEU 78 HG LEU 78 -4.208 -3.493 -9.739 639 HD11 LEU 78 1HD1 LEU 78 -4.319 -1.393 -8.460 640 HD12 LEU 78 2HD1 LEU 78 -5.852 -2.266 -8.436 641 HD13 LEU 78 3HD1 LEU 78 -5.662 -0.849 -9.474 642 HD21 LEU 78 1HD2 LEU 78 -6.267 -2.293 -11.610 643 HD22 LEU 78 2HD2 LEU 78 -6.580 -3.568 -10.432 644 HD23 LEU 78 3HD2 LEU 78 -5.470 -3.862 -11.762 645 H LYS 79 H LYS 79 -0.608 -1.985 -12.342 646 HA LYS 79 HA LYS 79 -0.773 0.153 -14.204 647 HB2 LYS 79 2HB LYS 79 1.737 -1.490 -13.667 648 HB3 LYS 79 1HB LYS 79 1.664 0.151 -14.297 649 HG2 LYS 79 2HG LYS 79 1.109 -0.809 -11.491 650 HG3 LYS 79 1HG LYS 79 2.379 0.289 -12.033 651 HD2 LYS 79 2HD LYS 79 0.647 2.009 -12.558 652 HD3 LYS 79 1HD LYS 79 -0.611 0.893 -11.998 653 HE2 LYS 79 2HE LYS 79 0.533 0.847 -9.754 654 HE3 LYS 79 1HE LYS 79 1.613 2.119 -10.331 655 HZ1 LYS 79 1HZ LYS 79 -0.262 2.977 -9.047 656 HZ2 LYS 79 2HZ LYS 79 -1.338 2.325 -10.176 657 HZ3 LYS 79 3HZ LYS 79 -0.279 3.556 -10.638 658 H GLY 80 H GLY 80 0.454 -3.192 -14.558 659 HA2 GLY 80 2HA GLY 80 0.955 -3.211 -17.316 660 HA3 GLY 80 1HA GLY 80 0.656 -4.623 -16.327 661 H LEU 81 H LEU 81 -1.999 -3.592 -15.586 662 HA LEU 81 HA LEU 81 -3.540 -4.749 -17.708 663 HB2 LEU 81 2HB LEU 81 -3.881 -5.118 -15.248 664 HB3 LEU 81 1HB LEU 81 -4.422 -3.465 -15.084 665 HG LEU 81 HG LEU 81 -5.906 -5.423 -16.887 666 HD11 LEU 81 1HD1 LEU 81 -5.772 -6.522 -14.697 667 HD12 LEU 81 2HD1 LEU 81 -7.415 -5.965 -15.011 668 HD13 LEU 81 3HD1 LEU 81 -6.374 -5.064 -13.902 669 HD21 LEU 81 1HD2 LEU 81 -6.495 -3.060 -17.129 670 HD22 LEU 81 2HD2 LEU 81 -6.809 -2.940 -15.397 671 HD23 LEU 81 3HD2 LEU 81 -7.827 -3.965 -16.412 672 H LEU 82 H LEU 82 -3.056 -1.485 -16.331 673 HA LEU 82 HA LEU 82 -5.057 -0.238 -17.999 674 HB2 LEU 82 2HB LEU 82 -2.902 0.962 -16.216 675 HB3 LEU 82 1HB LEU 82 -4.049 1.931 -17.125 676 HG LEU 82 HG LEU 82 -4.686 0.030 -14.835 677 HD11 LEU 82 1HD1 LEU 82 -3.753 2.163 -14.116 678 HD12 LEU 82 2HD1 LEU 82 -5.456 2.056 -13.680 679 HD13 LEU 82 3HD1 LEU 82 -4.961 3.043 -15.059 680 HD21 LEU 82 1HD2 LEU 82 -6.653 1.589 -16.552 681 HD22 LEU 82 2HD2 LEU 82 -7.047 0.718 -15.067 682 HD23 LEU 82 3HD2 LEU 82 -6.479 -0.169 -16.477 683 H GLN 83 H GLN 83 -1.450 0.157 -17.935 684 HA GLN 83 HA GLN 83 -1.355 0.465 -20.839 685 HB2 GLN 83 2HB GLN 83 -2.139 2.707 -19.822 686 HB3 GLN 83 1HB GLN 83 -0.544 2.837 -19.089 687 HG2 GLN 83 2HG GLN 83 0.435 2.724 -21.432 688 HG3 GLN 83 1HG GLN 83 -1.210 2.826 -22.055 689 HE21 GLN 83 1HE2 GLN 83 1.033 4.647 -22.423 690 HE22 GLN 83 2HE2 GLN 83 0.508 6.183 -21.839 691 H GLN 84 H GLN 84 -0.022 -0.887 -18.306 692 HA GLN 84 HA GLN 84 1.947 -1.551 -17.461 693 HB2 GLN 84 2HB GLN 84 3.008 -0.926 -20.248 694 HB3 GLN 84 1HB GLN 84 3.900 -1.828 -19.026 695 HG2 GLN 84 2HG GLN 84 2.149 -3.577 -19.054 696 HG3 GLN 84 1HG GLN 84 1.282 -2.685 -20.306 697 HE21 GLN 84 1HE2 GLN 84 2.207 -2.577 -22.403 698 HE22 GLN 84 2HE2 GLN 84 3.417 -3.702 -22.916 699 H ARG 85 H ARG 85 1.256 1.435 -17.470 700 HA ARG 85 HA ARG 85 3.921 2.561 -16.857 701 HB2 ARG 85 2HB ARG 85 1.819 3.861 -18.658 702 HB3 ARG 85 1HB ARG 85 3.288 4.652 -18.098 703 HG2 ARG 85 2HG ARG 85 4.659 3.020 -19.350 704 HG3 ARG 85 1HG ARG 85 3.193 2.194 -19.879 705 HD2 ARG 85 2HD ARG 85 2.494 4.326 -21.035 706 HD3 ARG 85 1HD ARG 85 4.067 5.012 -20.617 707 HE ARG 85 HE ARG 85 3.712 2.618 -22.319 708 HH11 ARG 85 1HH1 ARG 85 5.412 5.630 -21.681 709 HH12 ARG 85 2HH1 ARG 85 6.441 5.471 -23.072 710 HH21 ARG 85 1HH2 ARG 85 4.974 2.470 -24.165 711 HH22 ARG 85 2HH2 ARG 85 6.187 3.668 -24.486 712 H LEU 86 H LEU 86 3.680 4.766 -15.827 713 HA LEU 86 HA LEU 86 1.783 4.515 -13.590 714 HB2 LEU 86 2HB LEU 86 4.427 6.021 -13.802 715 HB3 LEU 86 1HB LEU 86 3.442 5.908 -12.352 716 HG LEU 86 HG LEU 86 4.923 3.613 -13.709 717 HD11 LEU 86 1HD1 LEU 86 6.396 5.108 -12.466 718 HD12 LEU 86 2HD1 LEU 86 6.278 3.537 -11.679 719 HD13 LEU 86 3HD1 LEU 86 5.401 4.922 -11.019 720 HD21 LEU 86 1HD2 LEU 86 2.824 2.769 -12.787 721 HD22 LEU 86 2HD2 LEU 86 3.185 3.504 -11.223 722 HD23 LEU 86 3HD2 LEU 86 4.194 2.192 -11.841 723 H ASP 87 H ASP 87 0.728 5.626 -15.946 724 HA ASP 87 HA ASP 87 0.489 8.493 -15.630 725 HB2 ASP 87 2HB ASP 87 -1.220 6.524 -17.229 726 HB3 ASP 87 1HB ASP 87 -1.402 8.273 -17.289 727 H GLU 88 H GLU 88 -2.055 5.991 -15.494 728 HA GLU 88 HA GLU 88 -3.578 7.525 -13.511 729 HB2 GLU 88 2HB GLU 88 -4.314 5.107 -15.218 730 HB3 GLU 88 1HB GLU 88 -5.403 5.882 -14.064 731 HG2 GLU 88 2HG GLU 88 -5.316 7.975 -15.352 732 HG3 GLU 88 1HG GLU 88 -4.175 7.243 -16.482 733 H LEU 89 H LEU 89 -4.570 6.436 -11.709 734 HA LEU 89 HA LEU 89 -4.309 5.642 -9.617 735 HB2 LEU 89 2HB LEU 89 -3.157 3.205 -11.039 736 HB3 LEU 89 1HB LEU 89 -3.659 3.239 -9.357 737 HG LEU 89 HG LEU 89 -5.494 3.537 -11.776 738 HD11 LEU 89 1HD1 LEU 89 -4.709 1.239 -11.458 739 HD12 LEU 89 2HD1 LEU 89 -6.428 1.376 -11.103 740 HD13 LEU 89 3HD1 LEU 89 -5.262 1.261 -9.781 741 HD21 LEU 89 1HD2 LEU 89 -6.323 4.912 -9.918 742 HD22 LEU 89 2HD2 LEU 89 -6.247 3.524 -8.832 743 HD23 LEU 89 3HD2 LEU 89 -7.374 3.523 -10.190 744 H SER 90 H SER 90 -2.188 7.225 -10.818 745 HA SER 90 HA SER 90 -0.006 6.751 -8.930 746 HB2 SER 90 2HB SER 90 0.627 5.460 -10.958 747 HB3 SER 90 1HB SER 90 0.428 6.903 -11.952 748 HG SER 90 HG SER 90 2.253 7.701 -11.192 749 H SER 91 H SER 91 -2.225 8.781 -9.774 750 HA SER 91 HA SER 91 -0.887 11.280 -10.180 751 HB2 SER 91 2HB SER 91 -3.625 10.791 -8.907 752 HB3 SER 91 1HB SER 91 -3.074 12.260 -9.722 753 HG SER 91 HG SER 91 -4.436 10.465 -10.843 754 H LEU 92 H LEU 92 0.767 11.545 -8.639 755 HA LEU 92 HA LEU 92 0.017 11.617 -5.757 756 HB2 LEU 92 2HB LEU 92 2.825 10.958 -6.697 757 HB3 LEU 92 1HB LEU 92 2.103 10.666 -5.123 758 HG LEU 92 HG LEU 92 1.409 9.125 -7.654 759 HD11 LEU 92 1HD1 LEU 92 3.724 8.740 -7.031 760 HD12 LEU 92 2HD1 LEU 92 2.754 7.311 -6.685 761 HD13 LEU 92 3HD1 LEU 92 3.252 8.373 -5.369 762 HD21 LEU 92 1HD2 LEU 92 -0.419 9.105 -6.017 763 HD22 LEU 92 2HD2 LEU 92 0.688 8.551 -4.758 764 HD23 LEU 92 3HD2 LEU 92 0.333 7.515 -6.142 765 H ILE 93 H ILE 93 2.969 12.433 -7.533 766 HA ILE 93 HA ILE 93 3.080 15.213 -6.626 767 HB ILE 93 HB ILE 93 5.176 13.138 -5.731 768 HG12 ILE 93 2HG1 ILE 93 3.311 14.684 -3.872 769 HG13 ILE 93 1HG1 ILE 93 3.018 13.031 -4.386 770 HG21 ILE 93 1HG2 ILE 93 6.244 14.993 -4.489 771 HG22 ILE 93 2HG2 ILE 93 5.048 16.117 -5.136 772 HG23 ILE 93 3HG2 ILE 93 6.186 15.320 -6.224 773 HD11 ILE 93 1HD1 ILE 93 3.970 13.073 -2.175 774 HD12 ILE 93 2HD1 ILE 93 5.368 13.983 -2.750 775 HD13 ILE 93 3HD1 ILE 93 5.101 12.326 -3.302 776 H GLY 94 H GLY 94 4.839 12.369 -7.819 777 HA2 GLY 94 2HA GLY 94 5.907 13.872 -10.143 778 HA3 GLY 94 1HA GLY 94 6.922 12.817 -9.163 779 H GLN 95 H GLN 95 7.191 12.011 -11.436 780 HA GLN 95 HA GLN 95 5.066 10.716 -12.851 781 HB2 GLN 95 2HB GLN 95 6.910 11.902 -13.964 782 HB3 GLN 95 1HB GLN 95 8.087 10.801 -13.260 783 HG2 GLN 95 2HG GLN 95 7.200 8.958 -14.617 784 HG3 GLN 95 1HG GLN 95 5.964 10.028 -15.285 785 HE21 GLN 95 1HE2 GLN 95 6.633 11.731 -16.697 786 HE22 GLN 95 2HE2 GLN 95 8.147 11.660 -17.532 787 H SER 96 H SER 96 8.218 9.373 -11.793 788 HA SER 96 HA SER 96 7.074 6.673 -11.809 789 HB2 SER 96 2HB SER 96 9.522 5.982 -11.776 790 HB3 SER 96 1HB SER 96 9.036 6.924 -13.188 791 HG SER 96 HG SER 96 10.961 7.731 -12.393 792 H THR 97 H THR 97 7.123 8.938 -9.574 793 HA THR 97 HA THR 97 8.388 8.106 -7.272 794 HB THR 97 HB THR 97 5.629 9.391 -7.524 795 HG1 THR 97 HG1 THR 97 8.018 10.753 -6.889 796 HG21 THR 97 1HG2 THR 97 7.466 9.360 -5.084 797 HG22 THR 97 2HG2 THR 97 5.944 8.471 -5.221 798 HG23 THR 97 3HG2 THR 97 5.944 10.238 -5.217 799 H ARG 98 H ARG 98 5.417 6.836 -8.703 800 HA ARG 98 HA ARG 98 4.165 5.799 -6.444 801 HB2 ARG 98 2HB ARG 98 3.136 6.176 -8.705 802 HB3 ARG 98 1HB ARG 98 4.013 4.783 -9.317 803 HG2 ARG 98 2HG ARG 98 1.808 4.033 -8.946 804 HG3 ARG 98 1HG ARG 98 2.738 3.383 -7.597 805 HD2 ARG 98 2HD ARG 98 0.969 5.853 -7.505 806 HD3 ARG 98 1HD ARG 98 0.528 4.256 -6.906 807 HE ARG 98 HE ARG 98 2.145 6.226 -5.589 808 HH11 ARG 98 1HH1 ARG 98 1.465 2.795 -5.733 809 HH12 ARG 98 2HH1 ARG 98 2.066 2.506 -4.141 810 HH21 ARG 98 1HH2 ARG 98 2.939 5.843 -3.520 811 HH22 ARG 98 2HH2 ARG 98 2.904 4.227 -2.882 812 H GLN 99 H GLN 99 6.051 4.010 -8.883 813 HA GLN 99 HA GLN 99 5.794 1.534 -7.382 814 HB2 GLN 99 2HB GLN 99 5.505 1.708 -9.882 815 HB3 GLN 99 1HB GLN 99 7.217 2.082 -10.019 816 HG2 GLN 99 2HG GLN 99 7.752 -0.141 -9.038 817 HG3 GLN 99 1HG GLN 99 6.029 -0.510 -8.980 818 HE21 GLN 99 1HE2 GLN 99 5.560 0.854 -11.620 819 HE22 GLN 99 2HE2 GLN 99 6.171 -0.252 -12.790 820 H LYS 100 H LYS 100 8.335 3.778 -8.426 821 HA LYS 100 HA LYS 100 10.602 2.314 -7.605 822 HB2 LYS 100 2HB LYS 100 10.469 4.339 -9.207 823 HB3 LYS 100 1HB LYS 100 10.426 5.360 -7.784 824 HG2 LYS 100 2HG LYS 100 12.712 3.431 -8.296 825 HG3 LYS 100 1HG LYS 100 12.682 5.041 -9.011 826 HD2 LYS 100 2HD LYS 100 12.578 6.021 -6.707 827 HD3 LYS 100 1HD LYS 100 12.699 4.393 -6.034 828 HE2 LYS 100 2HE LYS 100 14.795 5.754 -7.771 829 HE3 LYS 100 1HE LYS 100 14.883 5.542 -6.022 830 HZ1 LYS 100 1HZ LYS 100 14.949 3.170 -6.319 831 HZ2 LYS 100 2HZ LYS 100 16.172 3.877 -7.248 832 HZ3 LYS 100 3HZ LYS 100 14.761 3.324 -7.989 833 H SER 101 H SER 101 8.871 5.043 -5.997 834 HA SER 101 HA SER 101 10.523 4.968 -3.661 835 HB2 SER 101 2HB SER 101 9.519 7.088 -4.377 836 HB3 SER 101 1HB SER 101 7.895 6.443 -4.137 837 HG SER 101 HG SER 101 8.114 6.648 -2.012 838 H LEU 102 H LEU 102 7.247 3.590 -4.439 839 HA LEU 102 HA LEU 102 6.655 2.913 -1.724 840 HB2 LEU 102 2HB LEU 102 4.984 2.975 -3.651 841 HB3 LEU 102 1HB LEU 102 5.630 1.423 -4.167 842 HG LEU 102 HG LEU 102 4.991 0.478 -1.896 843 HD11 LEU 102 1HD1 LEU 102 3.374 1.750 -0.528 844 HD12 LEU 102 2HD1 LEU 102 3.630 3.163 -1.561 845 HD13 LEU 102 3HD1 LEU 102 4.963 2.511 -0.602 846 HD21 LEU 102 1HD2 LEU 102 2.674 1.586 -3.507 847 HD22 LEU 102 2HD2 LEU 102 2.616 0.227 -2.383 848 HD23 LEU 102 3HD2 LEU 102 3.562 0.105 -3.864 849 H ASN 103 H ASN 103 8.096 1.021 -4.393 850 HA ASN 103 HA ASN 103 8.451 -1.369 -2.830 851 HB2 ASN 103 2HB ASN 103 8.105 -1.389 -5.304 852 HB3 ASN 103 1HB ASN 103 9.679 -0.635 -5.518 853 HD21 ASN 103 1HD2 ASN 103 10.261 -2.433 -6.826 854 HD22 ASN 103 2HD2 ASN 103 10.704 -3.951 -6.129 855 H ASN 104 H ASN 104 10.401 1.489 -3.458 856 HA ASN 104 HA ASN 104 12.839 0.503 -2.319 857 HB2 ASN 104 2HB ASN 104 12.994 2.480 -3.696 858 HB3 ASN 104 1HB ASN 104 11.814 3.343 -2.719 859 HD21 ASN 104 1HD2 ASN 104 12.487 4.318 -0.815 860 HD22 ASN 104 2HD2 ASN 104 14.141 4.459 -0.344 861 H ALA 105 H ALA 105 9.954 2.134 -0.985 862 HA ALA 105 HA ALA 105 10.882 2.518 1.667 863 HB1 ALA 105 1HB ALA 105 8.877 3.651 0.790 864 HB2 ALA 105 2HB ALA 105 8.507 2.767 2.272 865 HB3 ALA 105 3HB ALA 105 8.027 2.106 0.704 866 H TYR 106 H TYR 106 9.169 -0.167 0.084 867 HA TYR 106 HA TYR 106 9.060 -2.040 2.159 868 HB2 TYR 106 2HB TYR 106 8.078 -2.307 -0.186 869 HB3 TYR 106 1HB TYR 106 9.696 -2.655 -0.772 870 HD1 TYR 106 HD1 TYR 106 10.902 -4.709 0.730 871 HD2 TYR 106 HD2 TYR 106 6.718 -4.165 0.163 872 HE1 TYR 106 HE1 TYR 106 10.532 -7.087 1.199 873 HE2 TYR 106 HE2 TYR 106 6.359 -6.520 0.650 874 HH TYR 106 HH TYR 106 8.685 -8.517 2.026 875 H GLY 107 H GLY 107 11.631 -1.385 -0.235 876 HA2 GLY 107 2HA GLY 107 13.472 -3.361 0.531 877 HA3 GLY 107 1HA GLY 107 13.852 -1.904 -0.366 878 H ARG 108 H ARG 108 12.967 -0.111 1.772 879 HA ARG 108 HA ARG 108 15.395 -0.043 3.321 880 HB2 ARG 108 2HB ARG 108 12.928 1.732 3.538 881 HB3 ARG 108 1HB ARG 108 14.467 2.018 4.337 882 HG2 ARG 108 2HG ARG 108 13.861 2.196 1.378 883 HG3 ARG 108 1HG ARG 108 14.290 3.505 2.469 884 HD2 ARG 108 2HD ARG 108 16.252 3.129 1.234 885 HD3 ARG 108 1HD ARG 108 16.561 2.265 2.743 886 HE ARG 108 HE ARG 108 15.504 0.828 0.383 887 HH11 ARG 108 1HH1 ARG 108 18.174 1.288 2.643 888 HH12 ARG 108 2HH1 ARG 108 18.995 -0.151 2.130 889 HH21 ARG 108 1HH2 ARG 108 16.595 -1.056 -0.244 890 HH22 ARG 108 2HH2 ARG 108 18.108 -1.468 0.508 891 H LEU 109 H LEU 109 11.960 -0.845 3.866 892 HA LEU 109 HA LEU 109 12.145 -1.245 6.691 893 HB2 LEU 109 2HB LEU 109 10.003 -0.864 5.485 894 HB3 LEU 109 1HB LEU 109 10.154 -2.441 4.727 895 HG LEU 109 HG LEU 109 9.955 -3.532 6.976 896 HD11 LEU 109 1HD1 LEU 109 10.862 -1.761 8.397 897 HD12 LEU 109 2HD1 LEU 109 9.254 -2.228 8.943 898 HD13 LEU 109 3HD1 LEU 109 9.477 -0.728 8.037 899 HD21 LEU 109 1HD2 LEU 109 7.966 -3.211 5.585 900 HD22 LEU 109 2HD2 LEU 109 7.681 -1.637 6.335 901 HD23 LEU 109 3HD2 LEU 109 7.574 -3.111 7.302 902 H SER 110 H SER 110 12.810 -3.242 3.941 903 HA SER 110 HA SER 110 13.067 -5.755 5.320 904 HB2 SER 110 2HB SER 110 12.411 -5.629 2.927 905 HB3 SER 110 1HB SER 110 13.955 -4.882 2.528 906 HG SER 110 HG SER 110 13.618 -7.472 3.654 907 H GLY 111 H GLY 111 15.239 -3.125 4.205 908 HA2 GLY 111 2HA GLY 111 17.649 -4.593 4.993 909 HA3 GLY 111 1HA GLY 111 17.578 -3.029 4.209 910 H MET 112 H MET 112 16.516 -1.227 5.752 911 HA MET 112 HA MET 112 18.095 -1.322 8.244 912 HB2 MET 112 2HB MET 112 18.605 0.557 6.851 913 HB3 MET 112 1HB MET 112 16.905 0.958 6.624 914 HG2 MET 112 2HG MET 112 18.115 2.502 8.159 915 HG3 MET 112 1HG MET 112 16.710 1.733 8.893 916 HE1 MET 112 1HE MET 112 18.536 3.182 10.792 917 HE2 MET 112 2HE MET 112 18.910 1.978 12.027 918 HE3 MET 112 3HE MET 112 17.272 2.091 11.375 919 H LEU 113 H LEU 113 14.935 0.296 7.486 920 HA LEU 113 HA LEU 113 13.184 -0.999 9.191 921 HB2 LEU 113 2HB LEU 113 14.886 -0.242 10.999 922 HB3 LEU 113 1HB LEU 113 14.398 1.409 10.652 923 HG LEU 113 HG LEU 113 12.074 0.875 11.382 924 HD11 LEU 113 1HD1 LEU 113 12.032 -1.512 10.846 925 HD12 LEU 113 2HD1 LEU 113 11.533 -1.210 12.506 926 HD13 LEU 113 3HD1 LEU 113 13.151 -1.843 12.173 927 HD21 LEU 113 1HD2 LEU 113 13.648 1.831 13.000 928 HD22 LEU 113 2HD2 LEU 113 14.147 0.212 13.495 929 HD23 LEU 113 3HD2 LEU 113 12.490 0.755 13.785 930 H LEU 114 H LEU 114 13.144 0.293 6.762 931 HA LEU 114 HA LEU 114 11.794 1.411 5.381 932 HB2 LEU 114 2HB LEU 114 10.011 0.891 7.121 933 HB3 LEU 114 1HB LEU 114 10.216 2.517 7.724 934 HG LEU 114 HG LEU 114 9.508 2.154 4.800 935 HD11 LEU 114 1HD1 LEU 114 7.105 2.067 5.282 936 HD12 LEU 114 2HD1 LEU 114 7.437 1.948 7.012 937 HD13 LEU 114 3HD1 LEU 114 7.934 0.650 5.926 938 HD21 LEU 114 1HD2 LEU 114 8.257 4.264 5.121 939 HD22 LEU 114 2HD2 LEU 114 9.946 4.437 5.589 940 HD23 LEU 114 3HD2 LEU 114 8.706 4.275 6.832 941 H VAL 115 H VAL 115 13.429 3.057 7.889 942 HA VAL 115 HA VAL 115 13.619 5.625 6.541 943 HB VAL 115 HB VAL 115 15.257 6.143 8.374 944 HG11 VAL 115 1HG1 VAL 115 12.652 4.941 9.392 945 HG12 VAL 115 2HG1 VAL 115 12.891 6.589 8.803 946 HG13 VAL 115 3HG1 VAL 115 13.685 6.064 10.286 947 HG21 VAL 115 1HG2 VAL 115 14.752 3.288 9.328 948 HG22 VAL 115 2HG2 VAL 115 15.634 4.527 10.230 949 HG23 VAL 115 3HG2 VAL 115 16.272 3.931 8.699 950 HA PRO 116 HA PRO 116 17.287 4.542 4.033 951 HB2 PRO 116 2HB PRO 116 19.007 6.688 4.437 952 HB3 PRO 116 1HB PRO 116 17.579 6.762 3.386 953 HG2 PRO 116 2HG PRO 116 17.864 7.687 6.232 954 HG3 PRO 116 1HG PRO 116 17.106 8.517 4.854 955 HD2 PRO 116 2HD PRO 116 15.607 7.231 6.681 956 HD3 PRO 116 1HD PRO 116 15.156 7.206 4.961 957 H ASP 117 H ASP 117 19.859 4.539 4.280 958 HA ASP 117 HA ASP 117 20.478 2.398 5.890 959 HB2 ASP 117 2HB ASP 117 21.812 2.920 3.942 960 HB3 ASP 117 1HB ASP 117 22.284 4.481 4.602 961 H ALA 118 H ALA 118 21.881 5.650 6.453 962 HA ALA 118 HA ALA 118 21.716 5.228 9.390 963 HB1 ALA 118 1HB ALA 118 24.042 4.894 8.649 964 HB2 ALA 118 2HB ALA 118 23.896 6.350 9.634 965 HB3 ALA 118 3HB ALA 118 24.044 6.485 7.880 966 HA PRO 119 HA PRO 119 19.658 9.298 8.473 967 HB2 PRO 119 2HB PRO 119 17.291 8.852 9.654 968 HB3 PRO 119 1HB PRO 119 17.668 8.068 8.104 969 HG2 PRO 119 2HG PRO 119 17.799 6.906 10.875 970 HG3 PRO 119 1HG PRO 119 17.106 6.206 9.395 971 HD2 PRO 119 2HD PRO 119 19.655 5.620 10.323 972 HD3 PRO 119 1HD PRO 119 19.154 5.469 8.626 973 H GLY 120 H GLY 120 20.629 7.599 11.284 974 HA2 GLY 120 2HA GLY 120 21.419 8.331 13.304 975 HA3 GLY 120 1HA GLY 120 20.999 9.977 12.870 976 H ALA 121 H ALA 121 18.282 8.079 12.427 977 HA ALA 121 HA ALA 121 16.873 9.292 14.588 978 HB1 ALA 121 1HB ALA 121 15.790 8.800 12.424 979 HB2 ALA 121 2HB ALA 121 14.925 8.038 13.758 980 HB3 ALA 121 3HB ALA 121 15.970 7.068 12.716 981 H SER 122 H SER 122 17.527 8.665 16.590 982 HA SER 122 HA SER 122 18.018 5.910 17.320 983 HB2 SER 122 2HB SER 122 18.425 6.937 19.616 984 HB3 SER 122 1HB SER 122 19.457 7.558 18.330 985 HG SER 122 HG SER 122 17.151 8.796 19.434 Start of MODEL 13 1 H1 MET 1 1H MET 1 1.986 3.228 21.868 2 H2 MET 1 2H MET 1 2.680 1.765 22.343 3 H3 MET 1 3H MET 1 1.035 1.838 21.969 4 HA MET 1 HA MET 1 3.223 2.358 20.052 5 HB2 MET 1 2HB MET 1 2.685 0.138 19.083 6 HB3 MET 1 1HB MET 1 3.231 -0.009 20.744 7 HG2 MET 1 2HG MET 1 0.934 -0.366 21.503 8 HG3 MET 1 1HG MET 1 0.331 -0.108 19.867 9 HE1 MET 1 1HE MET 1 2.561 -1.721 18.116 10 HE2 MET 1 2HE MET 1 0.821 -1.795 17.827 11 HE3 MET 1 3HE MET 1 1.749 -3.283 18.001 12 H THR 2 H THR 2 0.950 4.057 20.566 13 HA THR 2 HA THR 2 -1.348 3.572 19.058 14 HB THR 2 HB THR 2 -1.663 6.107 19.138 15 HG1 THR 2 HG1 THR 2 -0.094 7.355 19.963 16 HG21 THR 2 1HG2 THR 2 -1.899 6.231 21.594 17 HG22 THR 2 2HG2 THR 2 -0.893 4.791 21.776 18 HG23 THR 2 3HG2 THR 2 -2.473 4.674 20.995 19 H SER 3 H SER 3 1.626 5.326 18.109 20 HA SER 3 HA SER 3 0.728 6.044 15.493 21 HB2 SER 3 2HB SER 3 3.574 5.920 16.584 22 HB3 SER 3 1HB SER 3 3.054 6.783 15.132 23 HG SER 3 HG SER 3 1.515 7.578 17.151 24 H THR 4 H THR 4 2.255 3.210 16.842 25 HA THR 4 HA THR 4 3.173 2.065 14.376 26 HB THR 4 HB THR 4 2.666 0.642 17.030 27 HG1 THR 4 HG1 THR 4 5.264 1.270 16.409 28 HG21 THR 4 1HG2 THR 4 2.973 -0.898 15.099 29 HG22 THR 4 2HG2 THR 4 4.347 -0.977 16.202 30 HG23 THR 4 3HG2 THR 4 4.484 -0.077 14.690 31 H VAL 5 H VAL 5 0.300 1.661 16.418 32 HA VAL 5 HA VAL 5 -1.017 -0.320 14.852 33 HB VAL 5 HB VAL 5 -2.183 1.730 16.809 34 HG11 VAL 5 1HG1 VAL 5 -4.149 0.241 16.992 35 HG12 VAL 5 2HG1 VAL 5 -3.478 -0.814 15.746 36 HG13 VAL 5 3HG1 VAL 5 -3.960 0.833 15.340 37 HG21 VAL 5 1HG2 VAL 5 -1.396 -1.170 17.263 38 HG22 VAL 5 2HG2 VAL 5 -2.117 -0.093 18.465 39 HG23 VAL 5 3HG2 VAL 5 -0.502 0.240 17.834 40 H GLU 6 H GLU 6 -0.924 3.194 14.846 41 HA GLU 6 HA GLU 6 -2.901 3.654 12.835 42 HB2 GLU 6 2HB GLU 6 -2.279 5.337 14.515 43 HB3 GLU 6 1HB GLU 6 -0.640 5.412 13.897 44 HG2 GLU 6 2HG GLU 6 -2.963 6.140 12.111 45 HG3 GLU 6 1HG GLU 6 -2.383 7.292 13.309 46 H PHE 7 H PHE 7 0.575 3.047 12.815 47 HA PHE 7 HA PHE 7 1.083 3.660 10.073 48 HB2 PHE 7 2HB PHE 7 2.833 3.574 11.855 49 HB3 PHE 7 1HB PHE 7 2.617 1.837 11.982 50 HD1 PHE 7 HD1 PHE 7 3.413 4.452 9.402 51 HD2 PHE 7 HD2 PHE 7 4.158 0.475 10.800 52 HE1 PHE 7 HE1 PHE 7 5.156 4.177 7.694 53 HE2 PHE 7 HE2 PHE 7 5.898 0.213 9.078 54 HZ PHE 7 HZ PHE 7 6.391 2.058 7.532 55 H ILE 8 H ILE 8 0.400 0.616 11.813 56 HA ILE 8 HA ILE 8 0.357 -1.135 9.598 57 HB ILE 8 HB ILE 8 -1.195 -1.341 12.233 58 HG12 ILE 8 2HG1 ILE 8 1.440 -2.677 11.434 59 HG13 ILE 8 1HG1 ILE 8 1.316 -1.267 12.475 60 HG21 ILE 8 1HG2 ILE 8 -1.412 -3.764 11.744 61 HG22 ILE 8 2HG2 ILE 8 -0.651 -3.513 10.172 62 HG23 ILE 8 3HG2 ILE 8 -2.220 -2.784 10.515 63 HD11 ILE 8 1HD1 ILE 8 1.670 -3.248 13.789 64 HD12 ILE 8 2HD1 ILE 8 0.260 -4.027 13.077 65 HD13 ILE 8 3HD1 ILE 8 0.059 -2.611 14.115 66 H ASN 9 H ASN 9 -2.119 0.939 11.099 67 HA ASN 9 HA ASN 9 -4.364 0.230 9.558 68 HB2 ASN 9 2HB ASN 9 -4.623 1.550 11.589 69 HB3 ASN 9 1HB ASN 9 -3.633 2.845 10.936 70 HD21 ASN 9 1HD2 ASN 9 -6.243 1.138 9.210 71 HD22 ASN 9 2HD2 ASN 9 -7.269 2.518 9.082 72 H ARG 10 H ARG 10 -1.761 2.584 8.982 73 HA ARG 10 HA ARG 10 -2.639 3.820 6.634 74 HB2 ARG 10 2HB ARG 10 0.208 3.032 7.386 75 HB3 ARG 10 1HB ARG 10 -0.208 4.121 6.084 76 HG2 ARG 10 2HG ARG 10 -1.170 5.695 7.758 77 HG3 ARG 10 1HG ARG 10 -0.619 4.609 9.032 78 HD2 ARG 10 2HD ARG 10 1.731 4.870 7.810 79 HD3 ARG 10 1HD ARG 10 0.999 6.353 7.190 80 HE ARG 10 HE ARG 10 0.595 6.382 9.920 81 HH11 ARG 10 1HH1 ARG 10 3.391 6.320 7.782 82 HH12 ARG 10 2HH1 ARG 10 4.426 7.132 8.907 83 HH21 ARG 10 1HH2 ARG 10 1.988 7.372 11.433 84 HH22 ARG 10 2HH2 ARG 10 3.632 7.732 10.984 85 H TRP 11 H TRP 11 -0.611 0.924 7.064 86 HA TRP 11 HA TRP 11 -0.524 0.347 4.249 87 HB2 TRP 11 2HB TRP 11 0.469 -1.190 6.672 88 HB3 TRP 11 1HB TRP 11 0.703 -1.744 5.009 89 HD1 TRP 11 HD1 TRP 11 2.227 0.549 7.545 90 HE1 TRP 11 HE1 TRP 11 4.142 1.867 6.470 91 HE3 TRP 11 HE3 TRP 11 1.342 -0.521 2.620 92 HZ2 TRP 11 HZ2 TRP 11 5.167 2.404 3.925 93 HZ3 TRP 11 HZ3 TRP 11 2.834 0.461 0.917 94 HH2 TRP 11 HH2 TRP 11 4.708 1.895 1.572 95 H GLN 12 H GLN 12 -2.620 -0.704 6.838 96 HA GLN 12 HA GLN 12 -3.869 -2.902 5.573 97 HB2 GLN 12 2HB GLN 12 -4.905 -0.868 7.601 98 HB3 GLN 12 1HB GLN 12 -5.937 -2.148 6.972 99 HG2 GLN 12 2HG GLN 12 -4.482 -3.850 7.929 100 HG3 GLN 12 1HG GLN 12 -3.348 -2.613 8.474 101 HE21 GLN 12 1HE2 GLN 12 -6.533 -4.008 9.011 102 HE22 GLN 12 2HE2 GLN 12 -6.759 -3.338 10.589 103 H ARG 13 H ARG 13 -4.402 0.587 5.555 104 HA ARG 13 HA ARG 13 -6.746 0.620 4.003 105 HB2 ARG 13 2HB ARG 13 -5.846 2.499 5.503 106 HB3 ARG 13 1HB ARG 13 -4.737 2.897 4.195 107 HG2 ARG 13 2HG ARG 13 -6.655 4.367 4.044 108 HG3 ARG 13 1HG ARG 13 -6.698 3.246 2.683 109 HD2 ARG 13 2HD ARG 13 -8.323 1.818 4.041 110 HD3 ARG 13 1HD ARG 13 -8.403 3.141 5.207 111 HE ARG 13 HE ARG 13 -9.763 2.930 2.722 112 HH11 ARG 13 1HH1 ARG 13 -8.329 5.366 4.826 113 HH12 ARG 13 2HH1 ARG 13 -9.347 6.636 4.235 114 HH21 ARG 13 1HH2 ARG 13 -11.099 4.573 1.994 115 HH22 ARG 13 2HH2 ARG 13 -10.929 6.184 2.619 116 H ILE 14 H ILE 14 -3.297 1.156 3.059 117 HA ILE 14 HA ILE 14 -3.797 1.638 0.301 118 HB ILE 14 HB ILE 14 -1.224 0.447 1.454 119 HG12 ILE 14 2HG1 ILE 14 -1.907 3.407 1.087 120 HG13 ILE 14 1HG1 ILE 14 -1.786 2.575 2.634 121 HG21 ILE 14 1HG2 ILE 14 -1.407 0.295 -1.001 122 HG22 ILE 14 2HG2 ILE 14 -0.145 1.434 -0.542 123 HG23 ILE 14 3HG2 ILE 14 -1.708 2.030 -1.102 124 HD11 ILE 14 1HD1 ILE 14 0.569 2.209 2.321 125 HD12 ILE 14 2HD1 ILE 14 0.201 3.911 2.078 126 HD13 ILE 14 3HD1 ILE 14 0.506 2.880 0.689 127 H ALA 15 H ALA 15 -2.819 -1.326 2.079 128 HA ALA 15 HA ALA 15 -2.541 -3.120 -0.030 129 HB1 ALA 15 1HB ALA 15 -1.847 -3.644 2.272 130 HB2 ALA 15 2HB ALA 15 -2.909 -4.908 1.645 131 HB3 ALA 15 3HB ALA 15 -3.532 -3.710 2.787 132 H LEU 16 H LEU 16 -5.412 -2.220 1.789 133 HA LEU 16 HA LEU 16 -7.139 -4.184 0.546 134 HB2 LEU 16 2HB LEU 16 -7.695 -1.943 2.522 135 HB3 LEU 16 1HB LEU 16 -8.959 -2.993 1.902 136 HG LEU 16 HG LEU 16 -6.570 -3.902 3.562 137 HD11 LEU 16 1HD1 LEU 16 -8.185 -2.628 4.892 138 HD12 LEU 16 2HD1 LEU 16 -8.209 -4.330 5.347 139 HD13 LEU 16 3HD1 LEU 16 -9.498 -3.669 4.335 140 HD21 LEU 16 1HD2 LEU 16 -7.675 -6.107 3.614 141 HD22 LEU 16 2HD2 LEU 16 -7.229 -5.640 1.975 142 HD23 LEU 16 3HD2 LEU 16 -8.911 -5.518 2.497 143 H LEU 17 H LEU 17 -6.609 -0.671 0.172 144 HA LEU 17 HA LEU 17 -8.880 -0.190 -1.486 145 HB2 LEU 17 2HB LEU 17 -6.331 1.405 -1.053 146 HB3 LEU 17 1HB LEU 17 -7.560 1.929 -2.194 147 HG LEU 17 HG LEU 17 -8.000 1.572 0.805 148 HD11 LEU 17 1HD1 LEU 17 -7.760 4.131 -0.811 149 HD12 LEU 17 2HD1 LEU 17 -6.549 3.490 0.303 150 HD13 LEU 17 3HD1 LEU 17 -8.117 4.009 0.914 151 HD21 LEU 17 1HD2 LEU 17 -10.185 2.641 0.415 152 HD22 LEU 17 2HD2 LEU 17 -10.048 1.118 -0.457 153 HD23 LEU 17 3HD2 LEU 17 -9.884 2.647 -1.326 154 H SER 18 H SER 18 -5.445 -0.850 -2.216 155 HA SER 18 HA SER 18 -5.680 -0.837 -5.052 156 HB2 SER 18 2HB SER 18 -3.480 -2.015 -5.007 157 HB3 SER 18 1HB SER 18 -3.497 -0.602 -3.949 158 HG SER 18 HG SER 18 -3.145 -1.854 -2.321 159 H GLN 19 H GLN 19 -5.944 -3.386 -2.571 160 HA GLN 19 HA GLN 19 -6.251 -5.631 -4.232 161 HB2 GLN 19 2HB GLN 19 -5.935 -5.659 -1.714 162 HB3 GLN 19 1HB GLN 19 -7.619 -5.181 -1.541 163 HG2 GLN 19 2HG GLN 19 -7.355 -7.588 -1.193 164 HG3 GLN 19 1HG GLN 19 -8.333 -7.274 -2.627 165 HE21 GLN 19 1HE2 GLN 19 -5.176 -8.287 -1.490 166 HE22 GLN 19 2HE2 GLN 19 -4.676 -9.057 -2.956 167 H SER 20 H SER 20 -8.626 -3.323 -2.967 168 HA SER 20 HA SER 20 -10.978 -4.455 -3.988 169 HB2 SER 20 2HB SER 20 -10.314 -1.526 -3.463 170 HB3 SER 20 1HB SER 20 -11.935 -2.142 -3.792 171 HG SER 20 HG SER 20 -10.397 -3.251 -1.717 172 H LEU 21 H LEU 21 -8.767 -1.993 -5.335 173 HA LEU 21 HA LEU 21 -10.140 -1.521 -7.740 174 HB2 LEU 21 2HB LEU 21 -7.141 -1.224 -7.265 175 HB3 LEU 21 1HB LEU 21 -8.042 -0.533 -8.600 176 HG LEU 21 HG LEU 21 -8.057 0.314 -5.694 177 HD11 LEU 21 1HD1 LEU 21 -7.482 1.848 -8.252 178 HD12 LEU 21 2HD1 LEU 21 -6.290 1.248 -7.095 179 HD13 LEU 21 3HD1 LEU 21 -7.424 2.505 -6.610 180 HD21 LEU 21 1HD2 LEU 21 -9.842 1.934 -6.198 181 HD22 LEU 21 2HD2 LEU 21 -10.406 0.272 -6.338 182 HD23 LEU 21 3HD2 LEU 21 -10.056 1.205 -7.792 183 H LEU 22 H LEU 22 -7.790 -4.011 -6.834 184 HA LEU 22 HA LEU 22 -7.177 -4.969 -9.439 185 HB2 LEU 22 2HB LEU 22 -5.730 -5.461 -7.497 186 HB3 LEU 22 1HB LEU 22 -7.013 -6.408 -6.763 187 HG LEU 22 HG LEU 22 -6.863 -8.062 -8.641 188 HD11 LEU 22 1HD1 LEU 22 -6.071 -6.610 -10.428 189 HD12 LEU 22 2HD1 LEU 22 -4.989 -7.986 -10.230 190 HD13 LEU 22 3HD1 LEU 22 -4.519 -6.401 -9.610 191 HD21 LEU 22 1HD2 LEU 22 -4.743 -9.095 -7.997 192 HD22 LEU 22 2HD2 LEU 22 -5.584 -8.461 -6.584 193 HD23 LEU 22 3HD2 LEU 22 -4.208 -7.582 -7.258 194 H GLU 23 H GLU 23 -9.338 -6.221 -6.907 195 HA GLU 23 HA GLU 23 -10.536 -8.349 -8.252 196 HB2 GLU 23 2HB GLU 23 -11.647 -6.520 -6.081 197 HB3 GLU 23 1HB GLU 23 -12.402 -8.040 -6.563 198 HG2 GLU 23 2HG GLU 23 -10.440 -9.296 -5.814 199 HG3 GLU 23 1HG GLU 23 -9.592 -7.791 -5.438 200 H LEU 24 H LEU 24 -11.555 -4.971 -7.983 201 HA LEU 24 HA LEU 24 -14.004 -5.213 -9.392 202 HB2 LEU 24 2HB LEU 24 -12.345 -2.743 -8.731 203 HB3 LEU 24 1HB LEU 24 -13.981 -2.694 -9.370 204 HG LEU 24 HG LEU 24 -13.204 -3.906 -6.687 205 HD11 LEU 24 1HD1 LEU 24 -14.576 -1.259 -7.210 206 HD12 LEU 24 2HD1 LEU 24 -12.908 -1.473 -6.680 207 HD13 LEU 24 3HD1 LEU 24 -14.233 -1.973 -5.633 208 HD21 LEU 24 1HD2 LEU 24 -15.606 -4.025 -6.246 209 HD22 LEU 24 2HD2 LEU 24 -15.160 -4.997 -7.644 210 HD23 LEU 24 3HD2 LEU 24 -15.949 -3.433 -7.874 211 H ALA 25 H ALA 25 -10.697 -4.400 -10.387 212 HA ALA 25 HA ALA 25 -11.284 -3.484 -13.022 213 HB1 ALA 25 1HB ALA 25 -8.899 -3.849 -13.469 214 HB2 ALA 25 2HB ALA 25 -8.749 -4.766 -11.965 215 HB3 ALA 25 3HB ALA 25 -9.136 -3.046 -11.916 216 H GLN 26 H GLN 26 -10.402 -6.661 -11.710 217 HA GLN 26 HA GLN 26 -10.507 -8.071 -14.204 218 HB2 GLN 26 2HB GLN 26 -10.648 -9.097 -11.335 219 HB3 GLN 26 1HB GLN 26 -10.456 -10.122 -12.757 220 HG2 GLN 26 2HG GLN 26 -8.315 -9.024 -13.285 221 HG3 GLN 26 1HG GLN 26 -8.495 -7.970 -11.884 222 HE21 GLN 26 1HE2 GLN 26 -6.379 -9.898 -12.556 223 HE22 GLN 26 2HE2 GLN 26 -6.275 -10.958 -11.193 224 H ARG 27 H ARG 27 -12.902 -7.160 -11.829 225 HA ARG 27 HA ARG 27 -15.071 -8.717 -12.952 226 HB2 ARG 27 2HB ARG 27 -15.038 -6.331 -11.052 227 HB3 ARG 27 1HB ARG 27 -16.510 -7.175 -11.524 228 HG2 ARG 27 2HG ARG 27 -15.718 -9.231 -10.464 229 HG3 ARG 27 1HG ARG 27 -14.179 -8.466 -10.070 230 HD2 ARG 27 2HD ARG 27 -15.384 -6.841 -8.620 231 HD3 ARG 27 1HD ARG 27 -16.905 -7.665 -8.989 232 HE ARG 27 HE ARG 27 -14.773 -9.293 -7.844 233 HH11 ARG 27 1HH1 ARG 27 -17.751 -7.508 -7.208 234 HH12 ARG 27 2HH1 ARG 27 -18.036 -8.315 -5.694 235 HH21 ARG 27 1HH2 ARG 27 -15.161 -10.317 -5.894 236 HH22 ARG 27 2HH2 ARG 27 -16.562 -9.912 -4.950 237 H GLY 28 H GLY 28 -13.493 -5.730 -13.719 238 HA2 GLY 28 2HA GLY 28 -13.671 -4.573 -15.741 239 HA3 GLY 28 1HA GLY 28 -15.250 -5.283 -16.028 240 H GLU 29 H GLU 29 -14.995 -4.114 -12.909 241 HA GLU 29 HA GLU 29 -16.720 -1.846 -13.359 242 HB2 GLU 29 2HB GLU 29 -15.457 -2.762 -10.745 243 HB3 GLU 29 1HB GLU 29 -16.882 -1.753 -10.946 244 HG2 GLU 29 2HG GLU 29 -16.654 -4.700 -11.608 245 HG3 GLU 29 1HG GLU 29 -17.488 -3.997 -10.222 246 H TRP 30 H TRP 30 -14.764 -0.975 -14.721 247 HA TRP 30 HA TRP 30 -12.426 0.056 -13.497 248 HB2 TRP 30 2HB TRP 30 -13.720 1.096 -16.061 249 HB3 TRP 30 1HB TRP 30 -12.029 1.246 -15.588 250 HD1 TRP 30 HD1 TRP 30 -14.370 -1.024 -17.451 251 HE1 TRP 30 HE1 TRP 30 -13.150 -3.152 -18.204 252 HE3 TRP 30 HE3 TRP 30 -10.005 -0.463 -14.798 253 HZ2 TRP 30 HZ2 TRP 30 -10.683 -4.428 -17.754 254 HZ3 TRP 30 HZ3 TRP 30 -8.267 -2.194 -15.031 255 HH2 TRP 30 HH2 TRP 30 -8.605 -4.133 -16.477 256 H ASP 31 H ASP 31 -15.632 1.338 -13.958 257 HA ASP 31 HA ASP 31 -15.348 4.048 -13.412 258 HB2 ASP 31 2HB ASP 31 -17.631 2.242 -12.479 259 HB3 ASP 31 1HB ASP 31 -17.713 3.977 -12.720 260 H LEU 32 H LEU 32 -15.779 1.297 -11.191 261 HA LEU 32 HA LEU 32 -15.864 2.767 -8.770 262 HB2 LEU 32 2HB LEU 32 -15.062 -0.149 -9.142 263 HB3 LEU 32 1HB LEU 32 -15.541 0.610 -7.631 264 HG LEU 32 HG LEU 32 -17.298 -0.025 -10.025 265 HD11 LEU 32 1HD1 LEU 32 -17.449 -0.904 -7.130 266 HD12 LEU 32 2HD1 LEU 32 -16.875 -1.871 -8.490 267 HD13 LEU 32 3HD1 LEU 32 -18.563 -1.371 -8.422 268 HD21 LEU 32 1HD2 LEU 32 -18.069 1.664 -7.618 269 HD22 LEU 32 2HD2 LEU 32 -19.193 1.015 -8.814 270 HD23 LEU 32 3HD2 LEU 32 -17.980 2.193 -9.301 271 H LEU 33 H LEU 33 -13.197 1.412 -10.663 272 HA LEU 33 HA LEU 33 -11.109 1.906 -8.823 273 HB2 LEU 33 2HB LEU 33 -11.119 1.717 -11.848 274 HB3 LEU 33 1HB LEU 33 -9.672 2.231 -11.002 275 HG LEU 33 HG LEU 33 -9.706 0.056 -9.724 276 HD11 LEU 33 1HD1 LEU 33 -12.057 -0.527 -9.957 277 HD12 LEU 33 2HD1 LEU 33 -11.022 -1.822 -10.555 278 HD13 LEU 33 3HD1 LEU 33 -11.847 -0.754 -11.696 279 HD21 LEU 33 1HD2 LEU 33 -8.215 0.393 -11.633 280 HD22 LEU 33 2HD2 LEU 33 -9.469 -0.183 -12.737 281 HD23 LEU 33 3HD2 LEU 33 -8.764 -1.281 -11.545 282 H LEU 34 H LEU 34 -12.527 3.937 -11.391 283 HA LEU 34 HA LEU 34 -10.847 6.164 -11.169 284 HB2 LEU 34 2HB LEU 34 -13.784 6.142 -11.958 285 HB3 LEU 34 1HB LEU 34 -12.646 7.434 -12.310 286 HG LEU 34 HG LEU 34 -12.563 4.612 -13.448 287 HD11 LEU 34 1HD1 LEU 34 -13.065 5.665 -15.599 288 HD12 LEU 34 2HD1 LEU 34 -13.204 7.240 -14.811 289 HD13 LEU 34 3HD1 LEU 34 -14.347 5.950 -14.422 290 HD21 LEU 34 1HD2 LEU 34 -10.285 5.434 -13.139 291 HD22 LEU 34 2HD2 LEU 34 -10.677 6.923 -14.001 292 HD23 LEU 34 3HD2 LEU 34 -10.695 5.375 -14.851 293 H GLN 35 H GLN 35 -13.888 5.472 -9.403 294 HA GLN 35 HA GLN 35 -13.916 7.967 -7.959 295 HB2 GLN 35 2HB GLN 35 -15.518 5.406 -7.671 296 HB3 GLN 35 1HB GLN 35 -15.642 6.679 -6.463 297 HG2 GLN 35 2HG GLN 35 -17.468 7.017 -7.935 298 HG3 GLN 35 1HG GLN 35 -16.296 8.265 -8.338 299 HE21 GLN 35 1HE2 GLN 35 -15.129 8.067 -10.324 300 HE22 GLN 35 2HE2 GLN 35 -15.731 7.089 -11.612 301 H GLN 36 H GLN 36 -13.160 4.597 -6.896 302 HA GLN 36 HA GLN 36 -12.513 5.320 -4.218 303 HB2 GLN 36 2HB GLN 36 -11.725 2.827 -5.780 304 HB3 GLN 36 1HB GLN 36 -11.556 3.011 -4.039 305 HG2 GLN 36 2HG GLN 36 -14.191 3.052 -5.546 306 HG3 GLN 36 1HG GLN 36 -13.529 1.656 -4.695 307 HE21 GLN 36 1HE2 GLN 36 -16.057 3.058 -4.249 308 HE22 GLN 36 2HE2 GLN 36 -16.030 3.588 -2.602 309 H GLU 37 H GLU 37 -10.690 5.479 -7.153 310 HA GLU 37 HA GLU 37 -8.060 5.199 -6.276 311 HB2 GLU 37 2HB GLU 37 -8.734 5.348 -8.689 312 HB3 GLU 37 1HB GLU 37 -8.982 7.074 -8.486 313 HG2 GLU 37 2HG GLU 37 -6.453 6.989 -7.625 314 HG3 GLU 37 1HG GLU 37 -6.413 5.507 -8.569 315 H VAL 38 H VAL 38 -10.222 8.019 -6.160 316 HA VAL 38 HA VAL 38 -8.440 10.088 -5.642 317 HB VAL 38 HB VAL 38 -11.236 9.725 -4.457 318 HG11 VAL 38 1HG1 VAL 38 -11.309 12.192 -4.298 319 HG12 VAL 38 2HG1 VAL 38 -9.630 12.276 -4.836 320 HG13 VAL 38 3HG1 VAL 38 -10.025 11.511 -3.296 321 HG21 VAL 38 1HG2 VAL 38 -11.267 9.549 -6.919 322 HG22 VAL 38 2HG2 VAL 38 -10.430 11.098 -7.054 323 HG23 VAL 38 3HG2 VAL 38 -12.063 11.033 -6.383 324 H SER 39 H SER 39 -10.066 7.937 -3.309 325 HA SER 39 HA SER 39 -8.706 8.910 -0.992 326 HB2 SER 39 2HB SER 39 -10.339 6.380 -1.421 327 HB3 SER 39 1HB SER 39 -9.748 6.944 0.145 328 HG SER 39 HG SER 39 -11.786 7.965 -1.463 329 H TYR 40 H TYR 40 -8.123 6.242 -3.274 330 HA TYR 40 HA TYR 40 -6.103 4.886 -1.840 331 HB2 TYR 40 2HB TYR 40 -7.185 3.919 -3.829 332 HB3 TYR 40 1HB TYR 40 -6.491 5.170 -4.850 333 HD1 TYR 40 HD1 TYR 40 -5.054 2.826 -2.250 334 HD2 TYR 40 HD2 TYR 40 -4.846 4.243 -6.288 335 HE1 TYR 40 HE1 TYR 40 -3.133 1.353 -2.671 336 HE2 TYR 40 HE2 TYR 40 -2.918 2.766 -6.700 337 HH TYR 40 HH TYR 40 -1.217 1.550 -5.547 338 H LEU 41 H LEU 41 -5.964 7.689 -3.999 339 HA LEU 41 HA LEU 41 -3.135 7.888 -4.213 340 HB2 LEU 41 2HB LEU 41 -5.260 10.021 -4.688 341 HB3 LEU 41 1HB LEU 41 -3.572 10.166 -5.145 342 HG LEU 41 HG LEU 41 -5.668 8.339 -6.360 343 HD11 LEU 41 1HD1 LEU 41 -5.199 9.555 -8.435 344 HD12 LEU 41 2HD1 LEU 41 -4.037 10.579 -7.585 345 HD13 LEU 41 3HD1 LEU 41 -5.749 10.636 -7.156 346 HD21 LEU 41 1HD2 LEU 41 -3.954 7.446 -7.873 347 HD22 LEU 41 2HD2 LEU 41 -3.612 7.029 -6.197 348 HD23 LEU 41 3HD2 LEU 41 -2.699 8.316 -6.986 349 H GLN 42 H GLN 42 -5.616 9.727 -2.414 350 HA GLN 42 HA GLN 42 -3.975 11.490 -1.013 351 HB2 GLN 42 2HB GLN 42 -6.465 11.668 -1.146 352 HB3 GLN 42 1HB GLN 42 -6.618 10.287 -0.066 353 HG2 GLN 42 2HG GLN 42 -5.511 11.564 1.735 354 HG3 GLN 42 1HG GLN 42 -5.332 12.945 0.653 355 HE21 GLN 42 1HE2 GLN 42 -6.736 12.742 3.221 356 HE22 GLN 42 2HE2 GLN 42 -8.367 13.214 2.917 357 H SER 43 H SER 43 -5.186 8.291 -0.002 358 HA SER 43 HA SER 43 -4.037 8.247 2.553 359 HB2 SER 43 2HB SER 43 -4.867 5.931 0.759 360 HB3 SER 43 1HB SER 43 -4.405 5.757 2.458 361 HG SER 43 HG SER 43 -6.550 7.306 1.431 362 H ILE 44 H ILE 44 -2.836 6.751 -0.517 363 HA ILE 44 HA ILE 44 -0.636 5.472 0.654 364 HB ILE 44 HB ILE 44 -1.606 4.885 -1.600 365 HG12 ILE 44 2HG1 ILE 44 1.423 5.246 -1.547 366 HG13 ILE 44 1HG1 ILE 44 0.536 3.888 -0.871 367 HG21 ILE 44 1HG2 ILE 44 -1.734 7.115 -2.614 368 HG22 ILE 44 2HG2 ILE 44 -0.823 6.009 -3.641 369 HG23 ILE 44 3HG2 ILE 44 0.028 7.212 -2.667 370 HD11 ILE 44 1HD1 ILE 44 1.564 3.277 -2.963 371 HD12 ILE 44 2HD1 ILE 44 0.744 4.590 -3.804 372 HD13 ILE 44 3HD1 ILE 44 -0.190 3.249 -3.132 373 H GLU 45 H GLU 45 -0.828 8.694 -0.931 374 HA GLU 45 HA GLU 45 1.919 9.352 -0.719 375 HB2 GLU 45 2HB GLU 45 -0.602 10.973 -1.077 376 HB3 GLU 45 1HB GLU 45 0.910 11.808 -0.756 377 HG2 GLU 45 2HG GLU 45 0.435 9.909 -3.060 378 HG3 GLU 45 1HG GLU 45 0.366 11.667 -3.158 379 H THR 46 H THR 46 -0.840 9.998 1.477 380 HA THR 46 HA THR 46 0.472 11.454 3.458 381 HB THR 46 HB THR 46 -1.868 9.515 3.762 382 HG1 THR 46 HG1 THR 46 -1.938 11.532 2.368 383 HG21 THR 46 1HG2 THR 46 -0.948 11.699 5.679 384 HG22 THR 46 2HG2 THR 46 -0.867 9.961 5.990 385 HG23 THR 46 3HG2 THR 46 -2.434 10.763 5.832 386 H VAL 47 H VAL 47 0.243 7.955 3.051 387 HA VAL 47 HA VAL 47 1.436 7.118 5.476 388 HB VAL 47 HB VAL 47 1.314 5.698 2.774 389 HG11 VAL 47 1HG1 VAL 47 3.000 4.640 4.217 390 HG12 VAL 47 2HG1 VAL 47 1.595 3.589 4.041 391 HG13 VAL 47 3HG1 VAL 47 1.825 4.510 5.528 392 HG21 VAL 47 1HG2 VAL 47 -0.915 6.320 3.570 393 HG22 VAL 47 2HG2 VAL 47 -0.600 5.579 5.133 394 HG23 VAL 47 3HG2 VAL 47 -0.707 4.576 3.687 395 H MET 48 H MET 48 2.749 7.671 2.212 396 HA MET 48 HA MET 48 5.412 6.822 2.819 397 HB2 MET 48 2HB MET 48 4.283 8.359 0.447 398 HB3 MET 48 1HB MET 48 5.955 7.807 0.542 399 HG2 MET 48 2HG MET 48 5.176 5.478 0.717 400 HG3 MET 48 1HG MET 48 3.505 6.028 0.611 401 HE1 MET 48 1HE MET 48 2.309 6.731 -1.637 402 HE2 MET 48 2HE MET 48 3.186 7.170 -3.101 403 HE3 MET 48 3HE MET 48 3.351 8.153 -1.647 404 H GLU 49 H GLU 49 3.792 9.917 3.108 405 HA GLU 49 HA GLU 49 6.325 11.379 3.462 406 HB2 GLU 49 2HB GLU 49 3.446 12.357 3.492 407 HB3 GLU 49 1HB GLU 49 4.871 13.387 3.637 408 HG2 GLU 49 2HG GLU 49 5.611 12.671 1.373 409 HG3 GLU 49 1HG GLU 49 4.150 11.686 1.226 410 H LYS 50 H LYS 50 3.941 9.844 5.426 411 HA LYS 50 HA LYS 50 4.624 11.408 7.826 412 HB2 LYS 50 2HB LYS 50 2.400 9.497 7.146 413 HB3 LYS 50 1HB LYS 50 2.915 9.544 8.827 414 HG2 LYS 50 2HG LYS 50 1.003 11.044 8.402 415 HG3 LYS 50 1HG LYS 50 2.423 11.910 8.991 416 HD2 LYS 50 2HD LYS 50 2.921 12.602 6.627 417 HD3 LYS 50 1HD LYS 50 1.427 11.812 6.114 418 HE2 LYS 50 2HE LYS 50 1.650 14.154 8.033 419 HE3 LYS 50 1HE LYS 50 1.102 14.229 6.360 420 HZ1 LYS 50 1HZ LYS 50 -0.804 12.925 6.921 421 HZ2 LYS 50 2HZ LYS 50 -0.717 14.224 7.996 422 HZ3 LYS 50 3HZ LYS 50 -0.254 12.682 8.500 423 H GLN 51 H GLN 51 5.469 10.429 9.717 424 HA GLN 51 HA GLN 51 7.797 8.969 9.004 425 HB2 GLN 51 2HB GLN 51 8.513 9.338 11.318 426 HB3 GLN 51 1HB GLN 51 7.864 10.809 10.609 427 HG2 GLN 51 2HG GLN 51 5.708 10.381 11.828 428 HG3 GLN 51 1HG GLN 51 6.476 9.011 12.620 429 HE21 GLN 51 1HE2 GLN 51 9.065 10.363 12.937 430 HE22 GLN 51 2HE2 GLN 51 8.831 11.520 14.197 431 H THR 52 H THR 52 8.472 6.977 9.519 432 HA THR 52 HA THR 52 6.652 4.917 10.377 433 HB THR 52 HB THR 52 9.636 4.865 9.731 434 HG1 THR 52 HG1 THR 52 8.721 5.144 7.817 435 HG21 THR 52 1HG2 THR 52 7.734 2.523 10.116 436 HG22 THR 52 2HG2 THR 52 9.075 2.955 11.179 437 HG23 THR 52 3HG2 THR 52 9.400 2.412 9.533 438 HA PRO 53 HA PRO 53 7.655 5.834 14.751 439 HB2 PRO 53 2HB PRO 53 6.330 3.640 15.858 440 HB3 PRO 53 1HB PRO 53 5.518 5.137 15.359 441 HG2 PRO 53 2HG PRO 53 5.779 2.554 13.843 442 HG3 PRO 53 1HG PRO 53 4.353 3.596 14.059 443 HD2 PRO 53 2HD PRO 53 5.772 3.683 11.788 444 HD3 PRO 53 1HD PRO 53 5.088 5.170 12.490 445 HA PRO 54 HA PRO 54 11.260 3.254 15.449 446 HB2 PRO 54 2HB PRO 54 11.608 3.545 18.175 447 HB3 PRO 54 1HB PRO 54 11.984 4.827 17.007 448 HG2 PRO 54 2HG PRO 54 9.537 4.494 18.711 449 HG3 PRO 54 1HG PRO 54 10.473 5.967 18.363 450 HD2 PRO 54 2HD PRO 54 8.147 5.409 17.073 451 HD3 PRO 54 1HD PRO 54 9.482 6.270 16.273 452 H GLY 55 H GLY 55 8.618 2.730 17.818 453 HA2 GLY 55 2HA GLY 55 9.444 0.087 18.577 454 HA3 GLY 55 1HA GLY 55 7.950 0.900 19.011 455 H ILE 56 H ILE 56 9.541 -0.827 16.377 456 HA ILE 56 HA ILE 56 6.977 -2.100 15.608 457 HB ILE 56 HB ILE 56 9.194 -1.100 13.757 458 HG12 ILE 56 2HG1 ILE 56 6.211 -0.457 13.827 459 HG13 ILE 56 1HG1 ILE 56 7.509 0.611 14.349 460 HG21 ILE 56 1HG2 ILE 56 8.020 -2.155 11.858 461 HG22 ILE 56 2HG2 ILE 56 6.873 -2.895 12.970 462 HG23 ILE 56 3HG2 ILE 56 8.570 -3.364 13.018 463 HD11 ILE 56 1HD1 ILE 56 6.966 -0.314 11.529 464 HD12 ILE 56 2HD1 ILE 56 8.347 0.669 12.028 465 HD13 ILE 56 3HD1 ILE 56 6.709 1.295 12.204 466 H THR 57 H THR 57 7.207 -4.103 16.418 467 HA THR 57 HA THR 57 9.772 -5.434 16.697 468 HB THR 57 HB THR 57 8.325 -7.273 17.711 469 HG1 THR 57 HG1 THR 57 6.112 -6.570 18.148 470 HG21 THR 57 1HG2 THR 57 9.325 -5.535 19.172 471 HG22 THR 57 2HG2 THR 57 7.734 -6.020 19.755 472 HG23 THR 57 3HG2 THR 57 7.925 -4.491 18.898 473 H ARG 58 H ARG 58 9.490 -7.969 16.195 474 HA ARG 58 HA ARG 58 10.003 -8.327 13.506 475 HB2 ARG 58 2HB ARG 58 10.809 -9.885 15.206 476 HB3 ARG 58 1HB ARG 58 9.166 -10.336 15.638 477 HG2 ARG 58 2HG ARG 58 10.178 -12.121 14.350 478 HG3 ARG 58 1HG ARG 58 8.877 -11.390 13.415 479 HD2 ARG 58 2HD ARG 58 10.541 -10.125 12.089 480 HD3 ARG 58 1HD ARG 58 11.846 -10.871 13.028 481 HE ARG 58 HE ARG 58 10.132 -12.846 11.886 482 HH11 ARG 58 1HH1 ARG 58 12.740 -10.668 10.961 483 HH12 ARG 58 2HH1 ARG 58 13.258 -11.665 9.642 484 HH21 ARG 58 1HH2 ARG 58 10.876 -14.170 10.172 485 HH22 ARG 58 2HH2 ARG 58 12.209 -13.630 9.200 486 H SER 59 H SER 59 7.032 -9.353 15.263 487 HA SER 59 HA SER 59 5.638 -10.405 13.081 488 HB2 SER 59 2HB SER 59 4.428 -9.158 15.581 489 HB3 SER 59 1HB SER 59 3.661 -10.340 14.517 490 HG SER 59 HG SER 59 4.976 -11.888 15.231 491 H ILE 60 H ILE 60 5.660 -7.126 14.395 492 HA ILE 60 HA ILE 60 3.610 -6.012 12.780 493 HB ILE 60 HB ILE 60 5.949 -4.590 14.144 494 HG12 ILE 60 2HG1 ILE 60 3.099 -5.052 15.148 495 HG13 ILE 60 1HG1 ILE 60 4.523 -5.920 15.710 496 HG21 ILE 60 1HG2 ILE 60 4.549 -2.543 14.023 497 HG22 ILE 60 2HG2 ILE 60 3.327 -3.430 13.112 498 HG23 ILE 60 3HG2 ILE 60 4.923 -3.160 12.411 499 HD11 ILE 60 1HD1 ILE 60 5.444 -3.823 16.581 500 HD12 ILE 60 2HD1 ILE 60 3.879 -4.223 17.287 501 HD13 ILE 60 3HD1 ILE 60 3.990 -2.974 16.050 502 H GLN 61 H GLN 61 7.113 -6.278 12.417 503 HA GLN 61 HA GLN 61 7.487 -4.641 10.148 504 HB2 GLN 61 2HB GLN 61 9.266 -5.396 11.753 505 HB3 GLN 61 1HB GLN 61 9.147 -7.022 11.094 506 HG2 GLN 61 2HG GLN 61 9.903 -6.148 8.890 507 HG3 GLN 61 1HG GLN 61 10.067 -4.543 9.608 508 HE21 GLN 61 1HE2 GLN 61 12.302 -4.446 9.249 509 HE22 GLN 61 2HE2 GLN 61 13.432 -5.413 10.122 510 H ASP 62 H ASP 62 6.809 -8.097 10.558 511 HA ASP 62 HA ASP 62 6.947 -8.809 7.788 512 HB2 ASP 62 2HB ASP 62 5.707 -10.226 10.177 513 HB3 ASP 62 1HB ASP 62 5.746 -10.925 8.564 514 H MET 63 H MET 63 4.253 -7.873 9.962 515 HA MET 63 HA MET 63 2.146 -8.375 8.124 516 HB2 MET 63 2HB MET 63 2.256 -6.503 10.528 517 HB3 MET 63 1HB MET 63 0.801 -6.735 9.566 518 HG2 MET 63 2HG MET 63 0.899 -9.174 10.114 519 HG3 MET 63 1HG MET 63 2.242 -8.830 11.201 520 HE1 MET 63 1HE MET 63 1.342 -5.981 12.491 521 HE2 MET 63 2HE MET 63 1.999 -7.323 13.433 522 HE3 MET 63 3HE MET 63 0.487 -6.560 13.921 523 H VAL 64 H VAL 64 3.930 -5.388 8.877 524 HA VAL 64 HA VAL 64 2.632 -3.677 7.070 525 HB VAL 64 HB VAL 64 5.429 -3.513 8.287 526 HG11 VAL 64 1HG1 VAL 64 3.940 -1.377 6.725 527 HG12 VAL 64 2HG1 VAL 64 5.415 -2.194 6.217 528 HG13 VAL 64 3HG1 VAL 64 5.442 -1.120 7.617 529 HG21 VAL 64 1HG2 VAL 64 2.846 -2.061 9.000 530 HG22 VAL 64 2HG2 VAL 64 4.405 -1.829 9.797 531 HG23 VAL 64 3HG2 VAL 64 3.571 -3.381 9.920 532 H ALA 65 H ALA 65 5.814 -5.389 6.682 533 HA ALA 65 HA ALA 65 6.210 -4.587 3.991 534 HB1 ALA 65 1HB ALA 65 7.993 -6.238 3.865 535 HB2 ALA 65 2HB ALA 65 7.390 -7.047 5.324 536 HB3 ALA 65 3HB ALA 65 8.055 -5.416 5.428 537 H GLY 66 H GLY 66 4.388 -7.230 5.408 538 HA2 GLY 66 2HA GLY 66 3.960 -8.803 3.073 539 HA3 GLY 66 1HA GLY 66 2.951 -8.774 4.510 540 H TYR 67 H TYR 67 2.202 -6.086 4.528 541 HA TYR 67 HA TYR 67 0.093 -6.007 2.605 542 HB2 TYR 67 2HB TYR 67 1.045 -3.960 4.650 543 HB3 TYR 67 1HB TYR 67 -0.337 -3.681 3.587 544 HD1 TYR 67 HD1 TYR 67 -0.873 -6.989 3.992 545 HD2 TYR 67 HD2 TYR 67 -0.736 -3.485 6.438 546 HE1 TYR 67 HE1 TYR 67 -2.407 -8.047 5.586 547 HE2 TYR 67 HE2 TYR 67 -2.270 -4.544 8.010 548 HH TYR 67 HH TYR 67 -2.953 -7.852 8.003 549 H ILE 68 H ILE 68 3.255 -4.391 2.851 550 HA ILE 68 HA ILE 68 2.896 -2.562 0.714 551 HB ILE 68 HB ILE 68 5.597 -3.819 1.431 552 HG12 ILE 68 2HG1 ILE 68 4.284 -1.386 2.736 553 HG13 ILE 68 1HG1 ILE 68 4.607 -2.922 3.512 554 HG21 ILE 68 1HG2 ILE 68 6.530 -1.699 0.534 555 HG22 ILE 68 2HG2 ILE 68 4.901 -1.123 0.176 556 HG23 ILE 68 3HG2 ILE 68 5.548 -2.524 -0.678 557 HD11 ILE 68 1HD1 ILE 68 6.683 -0.983 2.512 558 HD12 ILE 68 2HD1 ILE 68 7.009 -2.536 3.285 559 HD13 ILE 68 3HD1 ILE 68 6.212 -1.251 4.192 560 H LYS 69 H LYS 69 4.304 -5.844 0.874 561 HA LYS 69 HA LYS 69 4.892 -6.346 -1.788 562 HB2 LYS 69 2HB LYS 69 5.580 -7.883 -0.012 563 HB3 LYS 69 1HB LYS 69 3.911 -8.243 0.392 564 HG2 LYS 69 2HG LYS 69 5.059 -10.081 -0.836 565 HG3 LYS 69 1HG LYS 69 3.611 -9.491 -1.658 566 HD2 LYS 69 2HD LYS 69 5.012 -8.188 -3.218 567 HD3 LYS 69 1HD LYS 69 6.474 -8.727 -2.385 568 HE2 LYS 69 2HE LYS 69 6.177 -10.979 -3.135 569 HE3 LYS 69 1HE LYS 69 4.515 -10.667 -3.645 570 HZ1 LYS 69 1HZ LYS 69 6.949 -9.517 -4.898 571 HZ2 LYS 69 2HZ LYS 69 5.356 -9.203 -5.373 572 HZ3 LYS 69 3HZ LYS 69 5.996 -10.763 -5.528 573 H GLN 70 H GLN 70 1.848 -6.874 -0.032 574 HA GLN 70 HA GLN 70 0.393 -8.105 -2.085 575 HB2 GLN 70 2HB GLN 70 -0.258 -8.093 0.329 576 HB3 GLN 70 1HB GLN 70 -0.702 -6.392 0.188 577 HG2 GLN 70 2HG GLN 70 -2.428 -6.998 -1.489 578 HG3 GLN 70 1HG GLN 70 -1.986 -8.698 -1.319 579 HE21 GLN 70 1HE2 GLN 70 -3.988 -9.367 -0.579 580 HE22 GLN 70 2HE2 GLN 70 -4.660 -8.882 0.939 581 H THR 71 H THR 71 0.667 -4.649 -1.171 582 HA THR 71 HA THR 71 -1.252 -3.830 -3.165 583 HB THR 71 HB THR 71 -1.196 -2.617 -1.048 584 HG1 THR 71 HG1 THR 71 -0.660 -1.211 -3.444 585 HG21 THR 71 1HG2 THR 71 0.525 -1.018 -0.448 586 HG22 THR 71 2HG2 THR 71 1.504 -1.490 -1.844 587 HG23 THR 71 3HG2 THR 71 1.220 -2.637 -0.533 588 H LEU 72 H LEU 72 2.214 -4.249 -3.069 589 HA LEU 72 HA LEU 72 2.761 -2.653 -5.422 590 HB2 LEU 72 2HB LEU 72 4.456 -4.861 -4.161 591 HB3 LEU 72 1HB LEU 72 4.970 -3.842 -5.493 592 HG LEU 72 HG LEU 72 4.570 -3.061 -2.600 593 HD11 LEU 72 1HD1 LEU 72 6.963 -2.753 -4.425 594 HD12 LEU 72 2HD1 LEU 72 6.760 -3.962 -3.157 595 HD13 LEU 72 3HD1 LEU 72 6.870 -2.258 -2.730 596 HD21 LEU 72 1HD2 LEU 72 4.976 -0.715 -3.224 597 HD22 LEU 72 2HD2 LEU 72 3.449 -1.338 -3.839 598 HD23 LEU 72 3HD2 LEU 72 4.830 -1.155 -4.930 599 H ASP 73 H ASP 73 1.885 -5.975 -4.713 600 HA ASP 73 HA ASP 73 2.178 -6.993 -7.362 601 HB2 ASP 73 2HB ASP 73 0.536 -7.982 -4.991 602 HB3 ASP 73 1HB ASP 73 0.600 -8.839 -6.531 603 H ASN 74 H ASN 74 -0.647 -5.855 -5.487 604 HA ASN 74 HA ASN 74 -2.613 -6.047 -7.464 605 HB2 ASN 74 2HB ASN 74 -2.465 -3.964 -5.230 606 HB3 ASN 74 1HB ASN 74 -3.915 -4.399 -6.132 607 HD21 ASN 74 1HD2 ASN 74 -3.490 -4.485 -3.272 608 HD22 ASN 74 2HD2 ASN 74 -3.734 -6.121 -2.776 609 H GLU 75 H GLU 75 -0.402 -3.408 -6.652 610 HA GLU 75 HA GLU 75 -1.205 -1.427 -8.448 611 HB2 GLU 75 2HB GLU 75 0.370 -1.052 -6.564 612 HB3 GLU 75 1HB GLU 75 1.579 -2.045 -7.358 613 HG2 GLU 75 2HG GLU 75 2.173 0.267 -7.606 614 HG3 GLU 75 1HG GLU 75 1.727 -0.374 -9.183 615 H GLN 76 H GLN 76 1.411 -3.879 -8.824 616 HA GLN 76 HA GLN 76 2.157 -3.047 -11.431 617 HB2 GLN 76 2HB GLN 76 3.685 -4.276 -9.900 618 HB3 GLN 76 1HB GLN 76 2.701 -5.726 -10.072 619 HG2 GLN 76 2HG GLN 76 3.257 -5.861 -12.452 620 HG3 GLN 76 1HG GLN 76 4.151 -4.349 -12.358 621 HE21 GLN 76 1HE2 GLN 76 4.307 -6.935 -9.938 622 HE22 GLN 76 2HE2 GLN 76 5.948 -7.362 -10.253 623 H LEU 77 H LEU 77 -0.053 -5.600 -10.308 624 HA LEU 77 HA LEU 77 -0.502 -6.883 -12.793 625 HB2 LEU 77 2HB LEU 77 -2.253 -6.709 -10.310 626 HB3 LEU 77 1HB LEU 77 -2.624 -7.742 -11.681 627 HG LEU 77 HG LEU 77 -0.188 -8.007 -9.869 628 HD11 LEU 77 1HD1 LEU 77 -2.650 -9.770 -10.078 629 HD12 LEU 77 2HD1 LEU 77 -2.253 -8.686 -8.743 630 HD13 LEU 77 3HD1 LEU 77 -1.230 -10.080 -9.073 631 HD21 LEU 77 1HD2 LEU 77 0.290 -10.082 -11.085 632 HD22 LEU 77 2HD2 LEU 77 0.359 -8.682 -12.150 633 HD23 LEU 77 3HD2 LEU 77 -1.042 -9.753 -12.195 634 H LEU 78 H LEU 78 -2.312 -4.339 -11.060 635 HA LEU 78 HA LEU 78 -4.389 -3.892 -12.906 636 HB2 LEU 78 2HB LEU 78 -3.082 -2.131 -10.806 637 HB3 LEU 78 1HB LEU 78 -4.395 -1.510 -11.801 638 HG LEU 78 HG LEU 78 -4.585 -3.914 -9.958 639 HD11 LEU 78 1HD1 LEU 78 -4.413 -1.791 -8.728 640 HD12 LEU 78 2HD1 LEU 78 -6.011 -2.523 -8.577 641 HD13 LEU 78 3HD1 LEU 78 -5.775 -1.148 -9.658 642 HD21 LEU 78 1HD2 LEU 78 -6.640 -2.556 -11.718 643 HD22 LEU 78 2HD2 LEU 78 -6.988 -3.795 -10.517 644 HD23 LEU 78 3HD2 LEU 78 -5.987 -4.187 -11.904 645 H LYS 79 H LYS 79 -1.469 -2.007 -12.370 646 HA LYS 79 HA LYS 79 -1.986 -0.151 -14.438 647 HB2 LYS 79 2HB LYS 79 0.582 -0.743 -12.911 648 HB3 LYS 79 1HB LYS 79 0.296 0.690 -13.885 649 HG2 LYS 79 2HG LYS 79 -1.080 -0.065 -11.292 650 HG3 LYS 79 1HG LYS 79 0.071 1.245 -11.551 651 HD2 LYS 79 2HD LYS 79 -1.656 2.250 -13.167 652 HD3 LYS 79 1HD LYS 79 -2.797 1.056 -12.534 653 HE2 LYS 79 2HE LYS 79 -1.379 3.237 -10.965 654 HE3 LYS 79 1HE LYS 79 -3.090 3.154 -11.339 655 HZ1 LYS 79 1HZ LYS 79 -3.251 1.166 -9.957 656 HZ2 LYS 79 2HZ LYS 79 -2.672 2.483 -9.075 657 HZ3 LYS 79 3HZ LYS 79 -1.611 1.284 -9.586 658 H GLY 80 H GLY 80 0.070 -3.015 -14.175 659 HA2 GLY 80 2HA GLY 80 1.324 -2.890 -16.719 660 HA3 GLY 80 1HA GLY 80 1.182 -4.309 -15.697 661 H LEU 81 H LEU 81 -1.736 -4.283 -15.612 662 HA LEU 81 HA LEU 81 -2.501 -5.598 -17.994 663 HB2 LEU 81 2HB LEU 81 -3.610 -5.907 -15.816 664 HB3 LEU 81 1HB LEU 81 -4.182 -4.259 -15.829 665 HG LEU 81 HG LEU 81 -5.133 -6.254 -17.926 666 HD11 LEU 81 1HD1 LEU 81 -6.396 -5.819 -15.193 667 HD12 LEU 81 2HD1 LEU 81 -5.566 -7.283 -15.729 668 HD13 LEU 81 3HD1 LEU 81 -7.064 -6.789 -16.510 669 HD21 LEU 81 1HD2 LEU 81 -5.665 -3.888 -18.363 670 HD22 LEU 81 2HD2 LEU 81 -6.434 -3.752 -16.783 671 HD23 LEU 81 3HD2 LEU 81 -7.129 -4.805 -18.019 672 H LEU 82 H LEU 82 -2.894 -2.245 -16.858 673 HA LEU 82 HA LEU 82 -4.445 -1.287 -19.050 674 HB2 LEU 82 2HB LEU 82 -2.619 0.297 -17.187 675 HB3 LEU 82 1HB LEU 82 -3.910 0.962 -18.176 676 HG LEU 82 HG LEU 82 -4.300 -0.934 -15.826 677 HD11 LEU 82 1HD1 LEU 82 -3.546 1.257 -15.086 678 HD12 LEU 82 2HD1 LEU 82 -5.234 1.001 -14.649 679 HD13 LEU 82 3HD1 LEU 82 -4.826 2.040 -16.017 680 HD21 LEU 82 1HD2 LEU 82 -6.064 -1.260 -17.477 681 HD22 LEU 82 2HD2 LEU 82 -6.382 0.476 -17.526 682 HD23 LEU 82 3HD2 LEU 82 -6.705 -0.444 -16.054 683 H GLN 83 H GLN 83 -1.034 -0.466 -18.269 684 HA GLN 83 HA GLN 83 -0.153 -0.807 -21.035 685 HB2 GLN 83 2HB GLN 83 0.160 1.860 -19.568 686 HB3 GLN 83 1HB GLN 83 0.943 1.455 -21.088 687 HG2 GLN 83 2HG GLN 83 -1.324 1.261 -22.139 688 HG3 GLN 83 1HG GLN 83 -2.032 1.806 -20.622 689 HE21 GLN 83 1HE2 GLN 83 0.951 3.090 -22.033 690 HE22 GLN 83 2HE2 GLN 83 0.321 4.657 -22.383 691 H GLN 84 H GLN 84 0.946 0.552 -17.868 692 HA GLN 84 HA GLN 84 3.472 -1.004 -18.060 693 HB2 GLN 84 2HB GLN 84 4.761 1.058 -17.439 694 HB3 GLN 84 1HB GLN 84 4.025 1.154 -19.032 695 HG2 GLN 84 2HG GLN 84 2.261 2.599 -18.189 696 HG3 GLN 84 1HG GLN 84 2.849 2.415 -16.539 697 HE21 GLN 84 1HE2 GLN 84 3.094 4.643 -16.303 698 HE22 GLN 84 2HE2 GLN 84 4.370 5.518 -17.068 699 H ARG 85 H ARG 85 4.609 -1.236 -16.037 700 HA ARG 85 HA ARG 85 3.080 -2.232 -13.987 701 HB2 ARG 85 2HB ARG 85 5.168 -2.411 -12.691 702 HB3 ARG 85 1HB ARG 85 5.436 -2.805 -14.389 703 HG2 ARG 85 2HG ARG 85 6.227 -0.362 -14.659 704 HG3 ARG 85 1HG ARG 85 6.286 -0.315 -12.893 705 HD2 ARG 85 2HD ARG 85 8.482 -0.830 -13.780 706 HD3 ARG 85 1HD ARG 85 7.852 -2.245 -12.933 707 HE ARG 85 HE ARG 85 7.326 -3.227 -15.090 708 HH11 ARG 85 1HH1 ARG 85 9.571 -0.504 -15.187 709 HH12 ARG 85 2HH1 ARG 85 10.230 -0.957 -16.729 710 HH21 ARG 85 1HH2 ARG 85 8.136 -3.760 -17.119 711 HH22 ARG 85 2HH2 ARG 85 9.410 -2.814 -17.828 712 H LEU 86 H LEU 86 4.287 1.053 -14.240 713 HA LEU 86 HA LEU 86 2.666 1.888 -11.903 714 HB2 LEU 86 2HB LEU 86 5.390 2.955 -12.779 715 HB3 LEU 86 1HB LEU 86 4.383 3.722 -11.562 716 HG LEU 86 HG LEU 86 5.513 0.902 -11.285 717 HD11 LEU 86 1HD1 LEU 86 7.148 1.847 -9.714 718 HD12 LEU 86 2HD1 LEU 86 6.582 3.478 -10.089 719 HD13 LEU 86 3HD1 LEU 86 7.357 2.499 -11.338 720 HD21 LEU 86 1HD2 LEU 86 4.187 2.717 -9.238 721 HD22 LEU 86 2HD2 LEU 86 4.873 1.122 -8.919 722 HD23 LEU 86 3HD2 LEU 86 3.469 1.279 -9.974 723 H ASP 87 H ASP 87 1.007 2.144 -13.456 724 HA ASP 87 HA ASP 87 1.329 4.027 -15.681 725 HB2 ASP 87 2HB ASP 87 0.305 1.787 -16.112 726 HB3 ASP 87 1HB ASP 87 -0.974 2.147 -14.965 727 H GLU 88 H GLU 88 -0.195 5.693 -16.009 728 HA GLU 88 HA GLU 88 -0.945 7.032 -13.510 729 HB2 GLU 88 2HB GLU 88 -0.634 8.121 -16.344 730 HB3 GLU 88 1HB GLU 88 -1.076 9.086 -14.946 731 HG2 GLU 88 2HG GLU 88 1.253 9.476 -15.410 732 HG3 GLU 88 1HG GLU 88 1.135 8.541 -13.915 733 H LEU 89 H LEU 89 -2.948 5.954 -13.070 734 HA LEU 89 HA LEU 89 -5.244 6.107 -14.743 735 HB2 LEU 89 2HB LEU 89 -5.000 6.169 -11.710 736 HB3 LEU 89 1HB LEU 89 -6.540 6.099 -12.542 737 HG LEU 89 HG LEU 89 -4.431 3.913 -12.799 738 HD11 LEU 89 1HD1 LEU 89 -5.731 2.633 -11.153 739 HD12 LEU 89 2HD1 LEU 89 -6.816 4.005 -10.910 740 HD13 LEU 89 3HD1 LEU 89 -5.119 4.124 -10.439 741 HD21 LEU 89 1HD2 LEU 89 -7.399 3.949 -13.448 742 HD22 LEU 89 2HD2 LEU 89 -6.327 2.553 -13.589 743 HD23 LEU 89 3HD2 LEU 89 -6.076 3.961 -14.620 744 H SER 90 H SER 90 -4.589 8.154 -11.866 745 HA SER 90 HA SER 90 -4.956 10.610 -13.483 746 HB2 SER 90 2HB SER 90 -5.720 10.228 -10.552 747 HB3 SER 90 1HB SER 90 -5.892 11.719 -11.481 748 HG SER 90 HG SER 90 -7.243 9.258 -11.864 749 H SER 91 H SER 91 -2.787 8.708 -11.939 750 HA SER 91 HA SER 91 -0.631 8.849 -11.355 751 HB2 SER 91 2HB SER 91 -0.452 10.417 -13.327 752 HB3 SER 91 1HB SER 91 -0.680 11.777 -12.227 753 HG SER 91 HG SER 91 1.455 11.630 -12.225 754 H LEU 92 H LEU 92 0.977 10.340 -9.921 755 HA LEU 92 HA LEU 92 -0.514 11.405 -7.587 756 HB2 LEU 92 2HB LEU 92 1.878 9.548 -7.672 757 HB3 LEU 92 1HB LEU 92 1.595 10.555 -6.264 758 HG LEU 92 HG LEU 92 -0.404 8.512 -7.317 759 HD11 LEU 92 1HD1 LEU 92 1.614 7.372 -6.507 760 HD12 LEU 92 2HD1 LEU 92 0.248 7.092 -5.428 761 HD13 LEU 92 3HD1 LEU 92 1.508 8.247 -4.975 762 HD21 LEU 92 1HD2 LEU 92 -1.469 10.327 -6.105 763 HD22 LEU 92 2HD2 LEU 92 -0.343 10.139 -4.763 764 HD23 LEU 92 3HD2 LEU 92 -1.497 8.861 -5.131 765 H ILE 93 H ILE 93 2.898 11.252 -8.629 766 HA ILE 93 HA ILE 93 3.133 14.211 -8.374 767 HB ILE 93 HB ILE 93 5.358 12.177 -7.812 768 HG12 ILE 93 2HG1 ILE 93 3.658 13.681 -5.772 769 HG13 ILE 93 1HG1 ILE 93 3.526 11.964 -6.126 770 HG21 ILE 93 1HG2 ILE 93 5.221 15.160 -7.229 771 HG22 ILE 93 2HG2 ILE 93 6.179 14.398 -8.500 772 HG23 ILE 93 3HG2 ILE 93 6.559 14.088 -6.805 773 HD11 ILE 93 1HD1 ILE 93 4.743 12.356 -4.076 774 HD12 ILE 93 2HD1 ILE 93 5.933 13.338 -4.929 775 HD13 ILE 93 3HD1 ILE 93 5.791 11.611 -5.282 776 H GLY 94 H GLY 94 4.363 15.243 -9.966 777 HA2 GLY 94 2HA GLY 94 4.509 14.151 -12.553 778 HA3 GLY 94 1HA GLY 94 5.262 15.641 -12.015 779 H GLN 95 H GLN 95 5.979 12.892 -13.488 780 HA GLN 95 HA GLN 95 7.818 11.751 -14.046 781 HB2 GLN 95 2HB GLN 95 9.334 13.918 -12.541 782 HB3 GLN 95 1HB GLN 95 10.066 12.749 -13.636 783 HG2 GLN 95 2HG GLN 95 8.925 13.709 -15.535 784 HG3 GLN 95 1HG GLN 95 7.954 14.752 -14.497 785 HE21 GLN 95 1HE2 GLN 95 10.175 15.543 -12.747 786 HE22 GLN 95 2HE2 GLN 95 11.164 16.604 -13.681 787 H SER 96 H SER 96 9.179 12.774 -10.925 788 HA SER 96 HA SER 96 9.548 9.963 -10.169 789 HB2 SER 96 2HB SER 96 10.646 12.499 -8.865 790 HB3 SER 96 1HB SER 96 11.125 10.841 -8.495 791 HG SER 96 HG SER 96 12.539 12.021 -9.949 792 H THR 97 H THR 97 7.656 9.249 -9.336 793 HA THR 97 HA THR 97 6.271 10.691 -7.189 794 HB THR 97 HB THR 97 5.651 8.072 -8.623 795 HG1 THR 97 HG1 THR 97 5.371 10.298 -9.636 796 HG21 THR 97 1HG2 THR 97 3.428 8.144 -7.531 797 HG22 THR 97 2HG2 THR 97 3.943 9.520 -6.555 798 HG23 THR 97 3HG2 THR 97 4.717 7.945 -6.341 799 H ARG 98 H ARG 98 5.933 9.716 -5.130 800 HA ARG 98 HA ARG 98 8.078 8.554 -3.773 801 HB2 ARG 98 2HB ARG 98 5.126 8.700 -3.093 802 HB3 ARG 98 1HB ARG 98 6.329 8.117 -1.958 803 HG2 ARG 98 2HG ARG 98 6.354 10.907 -3.143 804 HG3 ARG 98 1HG ARG 98 5.570 10.490 -1.619 805 HD2 ARG 98 2HD ARG 98 7.804 9.662 -0.784 806 HD3 ARG 98 1HD ARG 98 8.532 10.303 -2.265 807 HE ARG 98 HE ARG 98 7.186 12.432 -1.284 808 HH11 ARG 98 1HH1 ARG 98 9.546 10.275 0.205 809 HH12 ARG 98 2HH1 ARG 98 10.151 11.495 1.282 810 HH21 ARG 98 1HH2 ARG 98 7.959 13.997 0.130 811 HH22 ARG 98 2HH2 ARG 98 9.242 13.624 1.238 812 H GLN 99 H GLN 99 5.793 6.931 -5.808 813 HA GLN 99 HA GLN 99 5.579 4.378 -4.702 814 HB2 GLN 99 2HB GLN 99 5.083 3.610 -7.022 815 HB3 GLN 99 1HB GLN 99 4.220 5.087 -6.603 816 HG2 GLN 99 2HG GLN 99 6.099 6.348 -7.810 817 HG3 GLN 99 1HG GLN 99 6.603 4.783 -8.442 818 HE21 GLN 99 1HE2 GLN 99 6.204 5.555 -10.570 819 HE22 GLN 99 2HE2 GLN 99 4.605 5.707 -11.201 820 H LYS 100 H LYS 100 8.282 5.841 -6.443 821 HA LYS 100 HA LYS 100 9.874 3.496 -6.788 822 HB2 LYS 100 2HB LYS 100 10.215 5.696 -8.006 823 HB3 LYS 100 1HB LYS 100 10.829 6.383 -6.507 824 HG2 LYS 100 2HG LYS 100 12.716 4.778 -6.532 825 HG3 LYS 100 1HG LYS 100 12.068 4.037 -7.996 826 HD2 LYS 100 2HD LYS 100 13.888 5.499 -8.620 827 HD3 LYS 100 1HD LYS 100 12.381 6.214 -9.196 828 HE2 LYS 100 2HE LYS 100 13.827 7.942 -8.254 829 HE3 LYS 100 1HE LYS 100 12.404 7.751 -7.224 830 HZ1 LYS 100 1HZ LYS 100 14.510 7.927 -5.978 831 HZ2 LYS 100 2HZ LYS 100 15.059 6.499 -6.699 832 HZ3 LYS 100 3HZ LYS 100 13.712 6.473 -5.684 833 H SER 101 H SER 101 9.758 6.067 -4.330 834 HA SER 101 HA SER 101 11.571 4.881 -2.465 835 HB2 SER 101 2HB SER 101 9.472 7.059 -2.067 836 HB3 SER 101 1HB SER 101 10.739 6.652 -0.908 837 HG SER 101 HG SER 101 11.004 8.439 -2.605 838 H LEU 102 H LEU 102 8.327 4.173 -3.257 839 HA LEU 102 HA LEU 102 7.368 3.143 -0.741 840 HB2 LEU 102 2HB LEU 102 5.964 3.969 -2.688 841 HB3 LEU 102 1HB LEU 102 6.471 2.562 -3.594 842 HG LEU 102 HG LEU 102 5.305 1.140 -1.788 843 HD11 LEU 102 1HD1 LEU 102 3.574 2.224 -0.460 844 HD12 LEU 102 2HD1 LEU 102 4.078 3.810 -1.058 845 HD13 LEU 102 3HD1 LEU 102 5.166 2.857 -0.040 846 HD21 LEU 102 1HD2 LEU 102 3.586 2.992 -3.474 847 HD22 LEU 102 2HD2 LEU 102 3.089 1.442 -2.792 848 HD23 LEU 102 3HD2 LEU 102 4.344 1.495 -4.026 849 H ASN 103 H ASN 103 8.528 1.724 -3.804 850 HA ASN 103 HA ASN 103 8.809 -0.966 -2.934 851 HB2 ASN 103 2HB ASN 103 8.707 -0.323 -5.318 852 HB3 ASN 103 1HB ASN 103 10.244 0.523 -5.183 853 HD21 ASN 103 1HD2 ASN 103 12.172 -0.707 -5.122 854 HD22 ASN 103 2HD2 ASN 103 12.202 -2.390 -5.517 855 H ASN 104 H ASN 104 11.027 1.800 -2.930 856 HA ASN 104 HA ASN 104 13.310 0.439 -1.890 857 HB2 ASN 104 2HB ASN 104 13.430 2.621 -3.103 858 HB3 ASN 104 1HB ASN 104 12.637 3.410 -1.747 859 HD21 ASN 104 1HD2 ASN 104 15.594 1.791 -2.794 860 HD22 ASN 104 2HD2 ASN 104 16.599 2.430 -1.542 861 H ALA 105 H ALA 105 10.515 2.031 -0.374 862 HA ALA 105 HA ALA 105 11.393 2.065 2.316 863 HB1 ALA 105 1HB ALA 105 8.556 1.806 1.263 864 HB2 ALA 105 2HB ALA 105 9.409 3.317 1.576 865 HB3 ALA 105 3HB ALA 105 9.008 2.243 2.916 866 H TYR 106 H TYR 106 9.641 -0.344 0.374 867 HA TYR 106 HA TYR 106 9.366 -2.399 2.245 868 HB2 TYR 106 2HB TYR 106 8.425 -2.394 -0.122 869 HB3 TYR 106 1HB TYR 106 10.032 -2.774 -0.718 870 HD1 TYR 106 HD1 TYR 106 11.094 -5.030 0.588 871 HD2 TYR 106 HD2 TYR 106 6.958 -4.210 0.037 872 HE1 TYR 106 HE1 TYR 106 10.596 -7.409 0.858 873 HE2 TYR 106 HE2 TYR 106 6.469 -6.576 0.336 874 HH TYR 106 HH TYR 106 8.702 -8.806 1.547 875 H GLY 107 H GLY 107 12.080 -1.725 -0.011 876 HA2 GLY 107 2HA GLY 107 13.767 -3.854 0.536 877 HA3 GLY 107 1HA GLY 107 14.306 -2.273 0.011 878 H ARG 108 H ARG 108 14.004 -0.615 2.022 879 HA ARG 108 HA ARG 108 16.024 -1.297 3.887 880 HB2 ARG 108 2HB ARG 108 15.443 0.906 4.983 881 HB3 ARG 108 1HB ARG 108 15.814 1.005 3.268 882 HG2 ARG 108 2HG ARG 108 13.365 1.084 2.776 883 HG3 ARG 108 1HG ARG 108 13.046 1.096 4.508 884 HD2 ARG 108 2HD ARG 108 12.910 3.358 3.611 885 HD3 ARG 108 1HD ARG 108 14.289 3.230 4.706 886 HE ARG 108 HE ARG 108 14.932 2.802 1.917 887 HH11 ARG 108 1HH1 ARG 108 14.554 5.272 4.412 888 HH12 ARG 108 2HH1 ARG 108 15.595 6.403 3.608 889 HH21 ARG 108 1HH2 ARG 108 16.308 4.277 0.908 890 HH22 ARG 108 2HH2 ARG 108 16.593 5.837 1.615 891 H LEU 109 H LEU 109 12.470 -1.429 4.093 892 HA LEU 109 HA LEU 109 12.292 -1.858 6.912 893 HB2 LEU 109 2HB LEU 109 10.349 -1.168 5.562 894 HB3 LEU 109 1HB LEU 109 10.376 -2.701 4.710 895 HG LEU 109 HG LEU 109 9.821 -3.886 6.845 896 HD11 LEU 109 1HD1 LEU 109 9.049 -2.637 8.811 897 HD12 LEU 109 2HD1 LEU 109 9.554 -1.121 8.060 898 HD13 LEU 109 3HD1 LEU 109 10.757 -2.342 8.484 899 HD21 LEU 109 1HD2 LEU 109 8.051 -3.243 5.290 900 HD22 LEU 109 2HD2 LEU 109 7.861 -1.700 6.128 901 HD23 LEU 109 3HD2 LEU 109 7.495 -3.215 6.961 902 H SER 110 H SER 110 12.541 -4.031 4.164 903 HA SER 110 HA SER 110 12.116 -6.447 5.608 904 HB2 SER 110 2HB SER 110 11.586 -6.056 3.160 905 HB3 SER 110 1HB SER 110 13.318 -6.081 2.839 906 HG SER 110 HG SER 110 11.598 -8.172 3.615 907 H GLY 111 H GLY 111 14.904 -4.478 4.697 908 HA2 GLY 111 2HA GLY 111 16.859 -6.529 5.383 909 HA3 GLY 111 1HA GLY 111 17.178 -4.900 4.825 910 H MET 112 H MET 112 16.436 -3.105 6.584 911 HA MET 112 HA MET 112 17.611 -3.999 9.153 912 HB2 MET 112 2HB MET 112 18.676 -2.068 8.016 913 HB3 MET 112 1HB MET 112 17.166 -1.172 8.118 914 HG2 MET 112 2HG MET 112 18.651 -2.167 10.561 915 HG3 MET 112 1HG MET 112 18.929 -0.590 9.835 916 HE1 MET 112 1HE MET 112 17.988 -1.277 12.911 917 HE2 MET 112 2HE MET 112 16.855 0.049 13.174 918 HE3 MET 112 3HE MET 112 18.392 0.357 12.369 919 H LEU 113 H LEU 113 15.121 -1.586 8.282 920 HA LEU 113 HA LEU 113 12.810 -2.373 9.449 921 HB2 LEU 113 2HB LEU 113 14.482 -2.389 11.605 922 HB3 LEU 113 1HB LEU 113 14.025 -0.704 11.660 923 HG LEU 113 HG LEU 113 12.190 -3.114 11.951 924 HD11 LEU 113 1HD1 LEU 113 13.459 -2.589 13.962 925 HD12 LEU 113 2HD1 LEU 113 11.749 -2.244 14.196 926 HD13 LEU 113 3HD1 LEU 113 12.886 -0.919 13.921 927 HD21 LEU 113 1HD2 LEU 113 10.324 -1.542 12.319 928 HD22 LEU 113 2HD2 LEU 113 10.958 -1.439 10.683 929 HD23 LEU 113 3HD2 LEU 113 11.371 -0.194 11.861 930 H LEU 114 H LEU 114 13.520 -0.860 7.407 931 HA LEU 114 HA LEU 114 12.736 0.785 6.151 932 HB2 LEU 114 2HB LEU 114 10.780 0.524 8.111 933 HB3 LEU 114 1HB LEU 114 11.079 2.249 8.118 934 HG LEU 114 HG LEU 114 10.432 0.736 5.550 935 HD11 LEU 114 1HD1 LEU 114 8.589 0.363 7.113 936 HD12 LEU 114 2HD1 LEU 114 8.099 1.400 5.777 937 HD13 LEU 114 3HD1 LEU 114 8.430 2.105 7.363 938 HD21 LEU 114 1HD2 LEU 114 9.748 2.920 4.680 939 HD22 LEU 114 2HD2 LEU 114 11.424 2.969 5.220 940 HD23 LEU 114 3HD2 LEU 114 10.157 3.690 6.218 941 H VAL 115 H VAL 115 14.986 1.246 8.294 942 HA VAL 115 HA VAL 115 15.505 4.004 7.343 943 HB VAL 115 HB VAL 115 16.889 4.406 9.400 944 HG11 VAL 115 1HG1 VAL 115 14.608 5.298 9.320 945 HG12 VAL 115 2HG1 VAL 115 15.026 4.823 10.965 946 HG13 VAL 115 3HG1 VAL 115 13.970 3.795 9.994 947 HG21 VAL 115 1HG2 VAL 115 15.671 1.817 10.435 948 HG22 VAL 115 2HG2 VAL 115 16.640 2.949 11.386 949 HG23 VAL 115 3HG2 VAL 115 17.371 2.082 10.035 950 HA PRO 116 HA PRO 116 19.174 2.098 5.476 951 HB2 PRO 116 2HB PRO 116 20.410 4.829 5.638 952 HB3 PRO 116 1HB PRO 116 20.100 3.814 4.212 953 HG2 PRO 116 2HG PRO 116 18.622 5.995 4.678 954 HG3 PRO 116 1HG PRO 116 17.889 4.518 4.006 955 HD2 PRO 116 2HD PRO 116 17.828 5.524 6.855 956 HD3 PRO 116 1HD PRO 116 16.507 4.847 5.873 957 H ASP 117 H ASP 117 19.981 0.808 7.062 958 HA ASP 117 HA ASP 117 22.245 1.585 8.643 959 HB2 ASP 117 2HB ASP 117 20.370 2.557 10.024 960 HB3 ASP 117 1HB ASP 117 19.622 0.967 10.114 961 H ALA 118 H ALA 118 21.274 -0.431 6.640 962 HA ALA 118 HA ALA 118 20.691 -2.933 7.812 963 HB1 ALA 118 1HB ALA 118 21.044 -3.865 5.570 964 HB2 ALA 118 2HB ALA 118 21.814 -2.362 5.051 965 HB3 ALA 118 3HB ALA 118 20.106 -2.372 5.494 966 HA PRO 119 HA PRO 119 24.740 -4.306 9.221 967 HB2 PRO 119 2HB PRO 119 23.716 -7.108 8.879 968 HB3 PRO 119 1HB PRO 119 24.252 -6.272 10.354 969 HG2 PRO 119 2HG PRO 119 21.662 -6.800 9.939 970 HG3 PRO 119 1HG PRO 119 22.179 -5.290 10.726 971 HD2 PRO 119 2HD PRO 119 21.332 -5.727 7.862 972 HD3 PRO 119 1HD PRO 119 20.881 -4.418 8.982 973 H GLY 120 H GLY 120 26.662 -5.033 8.385 974 HA2 GLY 120 2HA GLY 120 26.963 -5.496 5.569 975 HA3 GLY 120 1HA GLY 120 28.226 -5.556 6.792 976 H ALA 121 H ALA 121 26.327 -7.572 8.204 977 HA ALA 121 HA ALA 121 26.653 -9.961 6.505 978 HB1 ALA 121 1HB ALA 121 27.416 -11.259 8.477 979 HB2 ALA 121 2HB ALA 121 27.421 -9.790 9.458 980 HB3 ALA 121 3HB ALA 121 28.544 -9.956 8.107 981 H SER 122 H SER 122 24.594 -10.550 6.155 982 HA SER 122 HA SER 122 22.790 -11.044 8.427 983 HB2 SER 122 2HB SER 122 21.915 -9.640 5.850 984 HB3 SER 122 1HB SER 122 20.874 -10.065 7.214 985 HG SER 122 HG SER 122 22.692 -8.681 8.331 Start of MODEL 14 1 H1 MET 1 1H MET 1 0.621 3.221 21.595 2 H2 MET 1 2H MET 1 1.987 4.158 21.274 3 H3 MET 1 3H MET 1 2.147 2.654 22.026 4 HA MET 1 HA MET 1 2.787 2.593 19.692 5 HB2 MET 1 2HB MET 1 1.898 0.567 20.890 6 HB3 MET 1 1HB MET 1 0.282 0.966 20.333 7 HG2 MET 1 2HG MET 1 1.108 0.693 17.974 8 HG3 MET 1 1HG MET 1 2.640 0.130 18.634 9 HE1 MET 1 1HE MET 1 0.764 -3.031 17.084 10 HE2 MET 1 2HE MET 1 2.159 -1.968 16.912 11 HE3 MET 1 3HE MET 1 0.541 -1.369 16.536 12 H THR 2 H THR 2 0.365 4.747 20.172 13 HA THR 2 HA THR 2 -1.601 4.516 18.267 14 HB THR 2 HB THR 2 -1.667 7.092 18.257 15 HG1 THR 2 HG1 THR 2 -0.030 8.133 19.105 16 HG21 THR 2 1HG2 THR 2 -2.981 5.780 19.894 17 HG22 THR 2 2HG2 THR 2 -2.359 7.260 20.625 18 HG23 THR 2 3HG2 THR 2 -1.583 5.714 20.971 19 H SER 3 H SER 3 1.673 5.791 17.695 20 HA SER 3 HA SER 3 1.308 6.703 15.042 21 HB2 SER 3 2HB SER 3 3.884 5.700 16.324 22 HB3 SER 3 1HB SER 3 3.754 6.774 14.928 23 HG SER 3 HG SER 3 2.978 8.368 16.220 24 H THR 4 H THR 4 2.495 3.596 16.331 25 HA THR 4 HA THR 4 2.971 2.368 13.810 26 HB THR 4 HB THR 4 2.474 0.864 16.412 27 HG1 THR 4 HG1 THR 4 4.942 1.127 16.419 28 HG21 THR 4 1HG2 THR 4 4.270 0.250 14.028 29 HG22 THR 4 2HG2 THR 4 2.737 -0.549 14.388 30 HG23 THR 4 3HG2 THR 4 4.108 -0.739 15.481 31 H VAL 5 H VAL 5 0.188 2.385 16.001 32 HA VAL 5 HA VAL 5 -1.363 0.363 14.785 33 HB VAL 5 HB VAL 5 -2.217 2.784 16.446 34 HG11 VAL 5 1HG1 VAL 5 -3.940 0.423 15.595 35 HG12 VAL 5 2HG1 VAL 5 -4.130 2.095 15.065 36 HG13 VAL 5 3HG1 VAL 5 -4.411 1.670 16.754 37 HG21 VAL 5 1HG2 VAL 5 -2.479 1.129 18.272 38 HG22 VAL 5 2HG2 VAL 5 -0.825 1.153 17.654 39 HG23 VAL 5 3HG2 VAL 5 -1.919 -0.151 17.190 40 H GLU 6 H GLU 6 -1.379 3.920 14.382 41 HA GLU 6 HA GLU 6 -3.123 4.124 12.209 42 HB2 GLU 6 2HB GLU 6 -0.756 5.817 13.076 43 HB3 GLU 6 1HB GLU 6 -1.680 6.225 11.636 44 HG2 GLU 6 2HG GLU 6 -2.819 6.001 14.432 45 HG3 GLU 6 1HG GLU 6 -2.387 7.507 13.622 46 H PHE 7 H PHE 7 0.402 3.688 12.227 47 HA PHE 7 HA PHE 7 0.913 3.929 9.495 48 HB2 PHE 7 2HB PHE 7 2.574 3.978 11.421 49 HB3 PHE 7 1HB PHE 7 2.489 2.225 11.479 50 HD1 PHE 7 HD1 PHE 7 3.268 5.054 9.148 51 HD2 PHE 7 HD2 PHE 7 4.037 0.973 10.180 52 HE1 PHE 7 HE1 PHE 7 5.109 4.986 7.519 53 HE2 PHE 7 HE2 PHE 7 5.875 0.914 8.543 54 HZ PHE 7 HZ PHE 7 6.415 2.922 7.219 55 H ILE 8 H ILE 8 0.465 0.930 11.400 56 HA ILE 8 HA ILE 8 0.617 -0.955 9.313 57 HB ILE 8 HB ILE 8 -0.886 -1.185 11.968 58 HG12 ILE 8 2HG1 ILE 8 1.887 -2.238 11.233 59 HG13 ILE 8 1HG1 ILE 8 1.591 -0.802 12.207 60 HG21 ILE 8 1HG2 ILE 8 -0.100 -3.404 10.035 61 HG22 ILE 8 2HG2 ILE 8 -1.742 -2.848 10.361 62 HG23 ILE 8 3HG2 ILE 8 -0.817 -3.646 11.632 63 HD11 ILE 8 1HD1 ILE 8 0.470 -2.206 13.888 64 HD12 ILE 8 2HD1 ILE 8 2.151 -2.663 13.616 65 HD13 ILE 8 3HD1 ILE 8 0.853 -3.634 12.921 66 H ASN 9 H ASN 9 -2.165 0.725 10.802 67 HA ASN 9 HA ASN 9 -4.212 -0.635 9.368 68 HB2 ASN 9 2HB ASN 9 -4.546 0.527 11.539 69 HB3 ASN 9 1HB ASN 9 -4.302 2.075 10.743 70 HD21 ASN 9 1HD2 ASN 9 -6.444 -0.694 11.032 71 HD22 ASN 9 2HD2 ASN 9 -7.860 0.105 10.443 72 H ARG 10 H ARG 10 -2.273 2.163 8.620 73 HA ARG 10 HA ARG 10 -3.845 3.055 6.367 74 HB2 ARG 10 2HB ARG 10 -0.994 3.701 7.231 75 HB3 ARG 10 1HB ARG 10 -1.793 4.455 5.854 76 HG2 ARG 10 2HG ARG 10 -3.413 5.527 7.276 77 HG3 ARG 10 1HG ARG 10 -2.870 4.612 8.681 78 HD2 ARG 10 2HD ARG 10 -0.609 5.764 8.412 79 HD3 ARG 10 1HD ARG 10 -1.384 6.816 7.217 80 HE ARG 10 HE ARG 10 -2.965 6.882 9.510 81 HH11 ARG 10 1HH1 ARG 10 0.306 7.880 8.634 82 HH12 ARG 10 2HH1 ARG 10 0.352 9.151 9.809 83 HH21 ARG 10 1HH2 ARG 10 -2.863 8.526 11.056 84 HH22 ARG 10 2HH2 ARG 10 -1.443 9.515 11.180 85 H TRP 11 H TRP 11 -0.939 1.036 6.880 86 HA TRP 11 HA TRP 11 -0.546 0.314 4.154 87 HB2 TRP 11 2HB TRP 11 0.375 -0.909 6.767 88 HB3 TRP 11 1HB TRP 11 0.627 -1.786 5.260 89 HD1 TRP 11 HD1 TRP 11 2.372 0.603 7.409 90 HE1 TRP 11 HE1 TRP 11 4.314 1.713 6.151 91 HE3 TRP 11 HE3 TRP 11 1.084 -0.646 2.611 92 HZ2 TRP 11 HZ2 TRP 11 5.191 2.039 3.501 93 HZ3 TRP 11 HZ3 TRP 11 2.522 0.131 0.768 94 HH2 TRP 11 HH2 TRP 11 4.534 1.448 1.214 95 H GLN 12 H GLN 12 -2.677 -0.948 6.654 96 HA GLN 12 HA GLN 12 -3.612 -3.258 5.295 97 HB2 GLN 12 2HB GLN 12 -5.098 -1.449 7.272 98 HB3 GLN 12 1HB GLN 12 -5.706 -2.995 6.687 99 HG2 GLN 12 2HG GLN 12 -3.737 -4.110 7.727 100 HG3 GLN 12 1HG GLN 12 -3.244 -2.553 8.386 101 HE21 GLN 12 1HE2 GLN 12 -5.589 -5.126 8.581 102 HE22 GLN 12 2HE2 GLN 12 -6.262 -4.660 10.100 103 H ARG 13 H ARG 13 -4.658 0.117 5.442 104 HA ARG 13 HA ARG 13 -6.911 -0.093 3.790 105 HB2 ARG 13 2HB ARG 13 -6.407 1.814 5.360 106 HB3 ARG 13 1HB ARG 13 -5.198 2.395 4.215 107 HG2 ARG 13 2HG ARG 13 -6.958 2.715 2.514 108 HG3 ARG 13 1HG ARG 13 -8.163 2.091 3.638 109 HD2 ARG 13 2HD ARG 13 -7.715 4.002 5.157 110 HD3 ARG 13 1HD ARG 13 -6.543 4.638 3.991 111 HE ARG 13 HE ARG 13 -9.278 4.171 3.060 112 HH11 ARG 13 1HH1 ARG 13 -6.885 6.571 4.065 113 HH12 ARG 13 2HH1 ARG 13 -7.779 7.904 3.398 114 HH21 ARG 13 1HH2 ARG 13 -10.427 5.922 2.221 115 HH22 ARG 13 2HH2 ARG 13 -9.785 7.528 2.354 116 H ILE 14 H ILE 14 -3.515 0.735 2.951 117 HA ILE 14 HA ILE 14 -3.986 1.276 0.185 118 HB ILE 14 HB ILE 14 -1.367 0.331 1.472 119 HG12 ILE 14 2HG1 ILE 14 -2.264 3.198 0.913 120 HG13 ILE 14 1HG1 ILE 14 -2.240 2.447 2.502 121 HG21 ILE 14 1HG2 ILE 14 -1.352 0.104 -0.991 122 HG22 ILE 14 2HG2 ILE 14 -0.239 1.363 -0.467 123 HG23 ILE 14 3HG2 ILE 14 -1.802 1.800 -1.160 124 HD11 ILE 14 1HD1 ILE 14 0.176 2.920 0.760 125 HD12 ILE 14 2HD1 ILE 14 0.177 2.209 2.379 126 HD13 ILE 14 3HD1 ILE 14 -0.317 3.885 2.149 127 H ALA 15 H ALA 15 -2.878 -1.646 1.940 128 HA ALA 15 HA ALA 15 -2.461 -3.396 -0.219 129 HB1 ALA 15 1HB ALA 15 -2.629 -5.201 1.471 130 HB2 ALA 15 2HB ALA 15 -3.343 -4.060 2.619 131 HB3 ALA 15 3HB ALA 15 -1.678 -3.844 2.078 132 H LEU 16 H LEU 16 -5.348 -2.692 1.625 133 HA LEU 16 HA LEU 16 -6.967 -4.808 0.447 134 HB2 LEU 16 2HB LEU 16 -7.684 -2.612 2.428 135 HB3 LEU 16 1HB LEU 16 -8.793 -3.874 1.920 136 HG LEU 16 HG LEU 16 -6.203 -4.327 3.463 137 HD11 LEU 16 1HD1 LEU 16 -7.630 -4.889 5.384 138 HD12 LEU 16 2HD1 LEU 16 -9.068 -4.454 4.456 139 HD13 LEU 16 3HD1 LEU 16 -7.869 -3.223 4.860 140 HD21 LEU 16 1HD2 LEU 16 -6.705 -6.250 2.043 141 HD22 LEU 16 2HD2 LEU 16 -8.342 -6.338 2.697 142 HD23 LEU 16 3HD2 LEU 16 -6.953 -6.650 3.741 143 H LEU 17 H LEU 17 -6.672 -1.273 0.162 144 HA LEU 17 HA LEU 17 -8.936 -0.835 -1.510 145 HB2 LEU 17 2HB LEU 17 -6.419 0.790 -1.020 146 HB3 LEU 17 1HB LEU 17 -7.507 1.256 -2.313 147 HG LEU 17 HG LEU 17 -8.256 1.115 0.638 148 HD11 LEU 17 1HD1 LEU 17 -7.811 3.546 -1.128 149 HD12 LEU 17 2HD1 LEU 17 -6.727 2.979 0.144 150 HD13 LEU 17 3HD1 LEU 17 -8.337 3.559 0.560 151 HD21 LEU 17 1HD2 LEU 17 -10.363 2.196 -0.037 152 HD22 LEU 17 2HD2 LEU 17 -10.185 0.612 -0.783 153 HD23 LEU 17 3HD2 LEU 17 -9.896 2.069 -1.737 154 H SER 18 H SER 18 -5.470 -1.309 -2.278 155 HA SER 18 HA SER 18 -5.708 -1.249 -5.098 156 HB2 SER 18 2HB SER 18 -3.444 -2.285 -5.086 157 HB3 SER 18 1HB SER 18 -3.551 -0.948 -3.940 158 HG SER 18 HG SER 18 -3.094 -2.286 -2.407 159 H GLN 19 H GLN 19 -5.816 -3.943 -2.751 160 HA GLN 19 HA GLN 19 -6.061 -6.116 -4.497 161 HB2 GLN 19 2HB GLN 19 -5.796 -6.260 -1.999 162 HB3 GLN 19 1HB GLN 19 -7.471 -5.755 -1.816 163 HG2 GLN 19 2HG GLN 19 -7.309 -8.153 -1.536 164 HG3 GLN 19 1HG GLN 19 -8.189 -7.810 -3.025 165 HE21 GLN 19 1HE2 GLN 19 -5.185 -8.979 -1.669 166 HE22 GLN 19 2HE2 GLN 19 -4.593 -9.738 -3.109 167 H SER 20 H SER 20 -8.621 -4.110 -3.033 168 HA SER 20 HA SER 20 -10.850 -5.228 -4.290 169 HB2 SER 20 2HB SER 20 -10.431 -2.343 -3.370 170 HB3 SER 20 1HB SER 20 -11.992 -3.035 -3.823 171 HG SER 20 HG SER 20 -10.593 -3.284 -1.494 172 H LEU 21 H LEU 21 -8.781 -2.515 -5.309 173 HA LEU 21 HA LEU 21 -10.260 -1.747 -7.577 174 HB2 LEU 21 2HB LEU 21 -7.327 -1.272 -6.914 175 HB3 LEU 21 1HB LEU 21 -8.178 -0.487 -8.234 176 HG LEU 21 HG LEU 21 -8.747 -0.120 -5.268 177 HD11 LEU 21 1HD1 LEU 21 -7.945 2.186 -5.596 178 HD12 LEU 21 2HD1 LEU 21 -7.536 1.809 -7.273 179 HD13 LEU 21 3HD1 LEU 21 -6.691 0.998 -5.952 180 HD21 LEU 21 1HD2 LEU 21 -10.837 0.012 -6.517 181 HD22 LEU 21 2HD2 LEU 21 -10.130 1.189 -7.624 182 HD23 LEU 21 3HD2 LEU 21 -10.365 1.602 -5.925 183 H LEU 22 H LEU 22 -7.755 -4.163 -7.085 184 HA LEU 22 HA LEU 22 -7.134 -4.678 -9.821 185 HB2 LEU 22 2HB LEU 22 -5.621 -5.376 -8.019 186 HB3 LEU 22 1HB LEU 22 -6.855 -6.431 -7.352 187 HG LEU 22 HG LEU 22 -6.710 -7.883 -9.369 188 HD11 LEU 22 1HD1 LEU 22 -4.918 -7.580 -11.020 189 HD12 LEU 22 2HD1 LEU 22 -4.466 -6.048 -10.269 190 HD13 LEU 22 3HD1 LEU 22 -6.044 -6.225 -11.040 191 HD21 LEU 22 1HD2 LEU 22 -4.034 -7.402 -8.018 192 HD22 LEU 22 2HD2 LEU 22 -4.511 -8.866 -8.881 193 HD23 LEU 22 3HD2 LEU 22 -5.347 -8.408 -7.399 194 H GLU 23 H GLU 23 -9.168 -6.393 -7.451 195 HA GLU 23 HA GLU 23 -10.351 -8.326 -9.085 196 HB2 GLU 23 2HB GLU 23 -11.583 -6.856 -6.713 197 HB3 GLU 23 1HB GLU 23 -12.199 -8.357 -7.398 198 HG2 GLU 23 2HG GLU 23 -10.144 -9.521 -6.728 199 HG3 GLU 23 1HG GLU 23 -9.494 -8.012 -6.083 200 H LEU 24 H LEU 24 -11.466 -5.081 -8.268 201 HA LEU 24 HA LEU 24 -13.924 -5.032 -9.603 202 HB2 LEU 24 2HB LEU 24 -12.100 -2.751 -8.732 203 HB3 LEU 24 1HB LEU 24 -13.730 -2.504 -9.336 204 HG LEU 24 HG LEU 24 -13.037 -4.079 -6.829 205 HD11 LEU 24 1HD1 LEU 24 -14.129 -1.263 -7.042 206 HD12 LEU 24 2HD1 LEU 24 -12.508 -1.721 -6.517 207 HD13 LEU 24 3HD1 LEU 24 -13.906 -2.182 -5.549 208 HD21 LEU 24 1HD2 LEU 24 -15.104 -4.878 -7.829 209 HD22 LEU 24 2HD2 LEU 24 -15.741 -3.233 -7.900 210 HD23 LEU 24 3HD2 LEU 24 -15.442 -4.001 -6.339 211 H ALA 25 H ALA 25 -10.674 -4.006 -10.650 212 HA ALA 25 HA ALA 25 -11.312 -2.872 -13.147 213 HB1 ALA 25 1HB ALA 25 -8.971 -3.271 -13.750 214 HB2 ALA 25 2HB ALA 25 -8.804 -4.427 -12.424 215 HB3 ALA 25 3HB ALA 25 -9.070 -2.719 -12.074 216 H GLN 26 H GLN 26 -10.405 -6.191 -12.282 217 HA GLN 26 HA GLN 26 -10.684 -7.344 -14.868 218 HB2 GLN 26 2HB GLN 26 -10.763 -8.626 -12.104 219 HB3 GLN 26 1HB GLN 26 -10.591 -9.517 -13.616 220 HG2 GLN 26 2HG GLN 26 -8.445 -8.484 -14.060 221 HG3 GLN 26 1HG GLN 26 -8.628 -7.395 -12.684 222 HE21 GLN 26 1HE2 GLN 26 -6.475 -9.300 -13.245 223 HE22 GLN 26 2HE2 GLN 26 -6.424 -10.368 -11.889 224 H ARG 27 H ARG 27 -12.995 -6.762 -12.272 225 HA ARG 27 HA ARG 27 -15.155 -8.352 -13.356 226 HB2 ARG 27 2HB ARG 27 -15.184 -6.120 -11.264 227 HB3 ARG 27 1HB ARG 27 -16.566 -7.142 -11.648 228 HG2 ARG 27 2HG ARG 27 -15.433 -9.109 -10.784 229 HG3 ARG 27 1HG ARG 27 -13.937 -8.205 -10.583 230 HD2 ARG 27 2HD ARG 27 -15.257 -6.713 -8.935 231 HD3 ARG 27 1HD ARG 27 -16.489 -7.977 -8.958 232 HE ARG 27 HE ARG 27 -13.685 -8.365 -8.078 233 HH11 ARG 27 1HH1 ARG 27 -17.073 -9.206 -7.751 234 HH12 ARG 27 2HH1 ARG 27 -16.797 -10.283 -6.421 235 HH21 ARG 27 1HH2 ARG 27 -13.338 -9.743 -6.302 236 HH22 ARG 27 2HH2 ARG 27 -14.682 -10.584 -5.603 237 H GLY 28 H GLY 28 -13.924 -5.138 -13.868 238 HA2 GLY 28 2HA GLY 28 -14.455 -3.777 -15.723 239 HA3 GLY 28 1HA GLY 28 -16.033 -4.536 -15.849 240 H GLU 29 H GLU 29 -15.339 -3.777 -12.661 241 HA GLU 29 HA GLU 29 -17.120 -1.506 -12.504 242 HB2 GLU 29 2HB GLU 29 -15.348 -2.721 -10.344 243 HB3 GLU 29 1HB GLU 29 -16.752 -1.693 -10.096 244 HG2 GLU 29 2HG GLU 29 -16.803 -4.492 -11.256 245 HG3 GLU 29 1HG GLU 29 -17.212 -4.064 -9.597 246 H TRP 30 H TRP 30 -15.382 -0.524 -14.145 247 HA TRP 30 HA TRP 30 -12.885 0.445 -13.295 248 HB2 TRP 30 2HB TRP 30 -14.700 1.548 -15.494 249 HB3 TRP 30 1HB TRP 30 -12.982 1.914 -15.306 250 HD1 TRP 30 HD1 TRP 30 -15.263 -0.541 -16.964 251 HE1 TRP 30 HE1 TRP 30 -13.901 -2.465 -17.996 252 HE3 TRP 30 HE3 TRP 30 -10.723 0.409 -14.795 253 HZ2 TRP 30 HZ2 TRP 30 -11.263 -3.436 -17.925 254 HZ3 TRP 30 HZ3 TRP 30 -8.829 -1.070 -15.331 255 HH2 TRP 30 HH2 TRP 30 -9.110 -2.949 -16.863 256 H ASP 31 H ASP 31 -16.092 1.805 -13.163 257 HA ASP 31 HA ASP 31 -15.680 4.475 -12.573 258 HB2 ASP 31 2HB ASP 31 -17.852 2.614 -11.508 259 HB3 ASP 31 1HB ASP 31 -17.935 4.377 -11.476 260 H LEU 32 H LEU 32 -15.673 1.687 -10.428 261 HA LEU 32 HA LEU 32 -15.404 3.110 -7.975 262 HB2 LEU 32 2HB LEU 32 -14.775 0.201 -8.620 263 HB3 LEU 32 1HB LEU 32 -14.846 0.879 -6.999 264 HG LEU 32 HG LEU 32 -17.179 0.644 -8.937 265 HD11 LEU 32 1HD1 LEU 32 -16.534 -1.501 -7.977 266 HD12 LEU 32 2HD1 LEU 32 -18.095 -0.976 -7.355 267 HD13 LEU 32 3HD1 LEU 32 -16.651 -0.831 -6.348 268 HD21 LEU 32 1HD2 LEU 32 -17.197 1.744 -6.105 269 HD22 LEU 32 2HD2 LEU 32 -18.614 1.461 -7.120 270 HD23 LEU 32 3HD2 LEU 32 -17.429 2.675 -7.587 271 H LEU 33 H LEU 33 -13.053 1.849 -10.326 272 HA LEU 33 HA LEU 33 -10.725 2.413 -8.734 273 HB2 LEU 33 2HB LEU 33 -11.059 2.015 -11.733 274 HB3 LEU 33 1HB LEU 33 -9.520 2.475 -11.032 275 HG LEU 33 HG LEU 33 -9.658 0.351 -9.611 276 HD11 LEU 33 1HD1 LEU 33 -12.030 -0.137 -9.834 277 HD12 LEU 33 2HD1 LEU 33 -11.051 -1.483 -10.413 278 HD13 LEU 33 3HD1 LEU 33 -11.834 -0.401 -11.569 279 HD21 LEU 33 1HD2 LEU 33 -8.761 -1.063 -11.388 280 HD22 LEU 33 2HD2 LEU 33 -8.153 0.584 -11.537 281 HD23 LEU 33 3HD2 LEU 33 -9.431 0.016 -12.617 282 H LEU 34 H LEU 34 -12.615 4.247 -11.071 283 HA LEU 34 HA LEU 34 -10.884 6.462 -11.405 284 HB2 LEU 34 2HB LEU 34 -13.911 6.331 -11.742 285 HB3 LEU 34 1HB LEU 34 -12.875 7.603 -12.373 286 HG LEU 34 HG LEU 34 -12.798 4.688 -13.238 287 HD11 LEU 34 1HD1 LEU 34 -13.894 7.085 -14.728 288 HD12 LEU 34 2HD1 LEU 34 -14.834 5.774 -14.012 289 HD13 LEU 34 3HD1 LEU 34 -13.751 5.440 -15.359 290 HD21 LEU 34 1HD2 LEU 34 -11.249 7.049 -14.338 291 HD22 LEU 34 2HD2 LEU 34 -11.271 5.417 -15.015 292 HD23 LEU 34 3HD2 LEU 34 -10.587 5.694 -13.418 293 H GLN 35 H GLN 35 -13.578 5.864 -9.179 294 HA GLN 35 HA GLN 35 -13.409 8.457 -7.904 295 HB2 GLN 35 2HB GLN 35 -15.145 6.018 -7.536 296 HB3 GLN 35 1HB GLN 35 -15.048 7.188 -6.226 297 HG2 GLN 35 2HG GLN 35 -16.987 7.643 -7.613 298 HG3 GLN 35 1HG GLN 35 -15.831 8.968 -7.726 299 HE21 GLN 35 1HE2 GLN 35 -14.694 9.272 -9.721 300 HE22 GLN 35 2HE2 GLN 35 -15.283 8.588 -11.195 301 H GLN 36 H GLN 36 -12.773 5.068 -6.775 302 HA GLN 36 HA GLN 36 -11.670 5.840 -4.277 303 HB2 GLN 36 2HB GLN 36 -11.383 3.234 -5.798 304 HB3 GLN 36 1HB GLN 36 -10.721 3.482 -4.188 305 HG2 GLN 36 2HG GLN 36 -13.650 3.702 -4.913 306 HG3 GLN 36 1HG GLN 36 -12.890 2.292 -4.179 307 HE21 GLN 36 1HE2 GLN 36 -15.085 3.896 -3.153 308 HE22 GLN 36 2HE2 GLN 36 -14.573 4.497 -1.613 309 H GLU 37 H GLU 37 -10.223 5.917 -7.415 310 HA GLU 37 HA GLU 37 -7.523 5.804 -6.971 311 HB2 GLU 37 2HB GLU 37 -8.515 6.426 -9.163 312 HB3 GLU 37 1HB GLU 37 -8.982 7.998 -8.522 313 HG2 GLU 37 2HG GLU 37 -6.565 8.534 -8.193 314 HG3 GLU 37 1HG GLU 37 -6.148 6.981 -8.913 315 H VAL 38 H VAL 38 -9.676 8.531 -6.192 316 HA VAL 38 HA VAL 38 -7.791 10.387 -5.292 317 HB VAL 38 HB VAL 38 -10.657 10.135 -4.263 318 HG11 VAL 38 1HG1 VAL 38 -9.306 11.696 -2.927 319 HG12 VAL 38 2HG1 VAL 38 -10.514 12.576 -3.863 320 HG13 VAL 38 3HG1 VAL 38 -8.828 12.567 -4.387 321 HG21 VAL 38 1HG2 VAL 38 -10.659 10.153 -6.717 322 HG22 VAL 38 2HG2 VAL 38 -9.661 11.608 -6.733 323 HG23 VAL 38 3HG2 VAL 38 -11.305 11.673 -6.092 324 H SER 39 H SER 39 -9.756 8.118 -3.318 325 HA SER 39 HA SER 39 -8.606 8.886 -0.815 326 HB2 SER 39 2HB SER 39 -9.798 6.827 0.043 327 HB3 SER 39 1HB SER 39 -10.824 7.938 -0.851 328 HG SER 39 HG SER 39 -10.316 5.359 -1.360 329 H TYR 40 H TYR 40 -7.886 6.329 -3.141 330 HA TYR 40 HA TYR 40 -6.028 4.831 -1.608 331 HB2 TYR 40 2HB TYR 40 -7.083 4.013 -3.722 332 HB3 TYR 40 1HB TYR 40 -6.166 5.201 -4.639 333 HD1 TYR 40 HD1 TYR 40 -5.379 2.578 -2.038 334 HD2 TYR 40 HD2 TYR 40 -4.371 4.249 -5.841 335 HE1 TYR 40 HE1 TYR 40 -3.594 0.919 -2.298 336 HE2 TYR 40 HE2 TYR 40 -2.578 2.583 -6.093 337 HH TYR 40 HH TYR 40 -1.178 1.136 -4.656 338 H LEU 41 H LEU 41 -5.665 7.552 -3.848 339 HA LEU 41 HA LEU 41 -2.880 7.899 -3.735 340 HB2 LEU 41 2HB LEU 41 -5.087 9.938 -4.218 341 HB3 LEU 41 1HB LEU 41 -3.381 10.308 -4.394 342 HG LEU 41 HG LEU 41 -4.891 8.255 -6.047 343 HD11 LEU 41 1HD1 LEU 41 -3.958 11.025 -6.840 344 HD12 LEU 41 2HD1 LEU 41 -5.630 10.524 -6.570 345 HD13 LEU 41 3HD1 LEU 41 -4.711 9.830 -7.903 346 HD21 LEU 41 1HD2 LEU 41 -2.048 9.256 -6.322 347 HD22 LEU 41 2HD2 LEU 41 -2.889 8.200 -7.456 348 HD23 LEU 41 3HD2 LEU 41 -2.555 7.638 -5.823 349 H GLN 42 H GLN 42 -5.527 9.221 -1.724 350 HA GLN 42 HA GLN 42 -3.899 10.913 -0.137 351 HB2 GLN 42 2HB GLN 42 -6.352 11.205 -0.266 352 HB3 GLN 42 1HB GLN 42 -6.602 9.679 0.580 353 HG2 GLN 42 2HG GLN 42 -5.680 10.554 2.617 354 HG3 GLN 42 1HG GLN 42 -5.075 11.999 1.804 355 HE21 GLN 42 1HE2 GLN 42 -6.868 11.765 4.129 356 HE22 GLN 42 2HE2 GLN 42 -8.302 12.629 3.698 357 H SER 43 H SER 43 -4.935 7.533 0.287 358 HA SER 43 HA SER 43 -3.997 7.089 2.904 359 HB2 SER 43 2HB SER 43 -4.181 5.066 0.623 360 HB3 SER 43 1HB SER 43 -4.095 4.683 2.344 361 HG SER 43 HG SER 43 -6.109 6.422 1.564 362 H ILE 44 H ILE 44 -2.438 6.387 -0.224 363 HA ILE 44 HA ILE 44 -0.028 5.378 0.882 364 HB ILE 44 HB ILE 44 -0.866 4.737 -1.347 365 HG12 ILE 44 2HG1 ILE 44 1.926 5.952 -1.453 366 HG13 ILE 44 1HG1 ILE 44 1.515 4.334 -0.892 367 HG21 ILE 44 1HG2 ILE 44 -1.711 6.903 -2.103 368 HG22 ILE 44 2HG2 ILE 44 -0.648 6.173 -3.303 369 HG23 ILE 44 3HG2 ILE 44 -0.059 7.494 -2.291 370 HD11 ILE 44 1HD1 ILE 44 1.228 5.371 -3.717 371 HD12 ILE 44 2HD1 ILE 44 0.737 3.767 -3.165 372 HD13 ILE 44 3HD1 ILE 44 2.435 4.232 -3.119 373 H GLU 45 H GLU 45 -0.987 8.628 -0.190 374 HA GLU 45 HA GLU 45 1.495 9.948 0.131 375 HB2 GLU 45 2HB GLU 45 -1.376 10.926 0.326 376 HB3 GLU 45 1HB GLU 45 -0.018 12.019 0.546 377 HG2 GLU 45 2HG GLU 45 -0.487 10.376 -1.953 378 HG3 GLU 45 1HG GLU 45 -1.035 12.032 -1.744 379 H THR 46 H THR 46 -1.147 9.319 2.447 380 HA THR 46 HA THR 46 -0.118 10.839 4.595 381 HB THR 46 HB THR 46 -2.010 8.445 4.755 382 HG1 THR 46 HG1 THR 46 -2.906 10.064 3.517 383 HG21 THR 46 1HG2 THR 46 -1.572 10.701 6.759 384 HG22 THR 46 2HG2 THR 46 -1.046 9.031 6.986 385 HG23 THR 46 3HG2 THR 46 -2.768 9.408 6.899 386 H VAL 47 H VAL 47 0.428 7.479 3.601 387 HA VAL 47 HA VAL 47 1.997 6.764 5.895 388 HB VAL 47 HB VAL 47 2.021 5.509 3.113 389 HG11 VAL 47 1HG1 VAL 47 3.049 4.428 5.766 390 HG12 VAL 47 2HG1 VAL 47 4.034 4.898 4.378 391 HG13 VAL 47 3HG1 VAL 47 2.950 3.515 4.259 392 HG21 VAL 47 1HG2 VAL 47 0.436 4.769 5.599 393 HG22 VAL 47 2HG2 VAL 47 0.473 3.840 4.099 394 HG23 VAL 47 3HG2 VAL 47 -0.216 5.464 4.114 395 H MET 48 H MET 48 2.912 7.829 2.581 396 HA MET 48 HA MET 48 5.721 7.504 2.963 397 HB2 MET 48 2HB MET 48 4.178 9.015 0.816 398 HB3 MET 48 1HB MET 48 5.923 8.789 0.780 399 HG2 MET 48 2HG MET 48 5.568 6.328 0.764 400 HG3 MET 48 1HG MET 48 3.829 6.609 0.678 401 HE1 MET 48 1HE MET 48 3.577 9.108 -1.315 402 HE2 MET 48 2HE MET 48 2.587 7.650 -1.427 403 HE3 MET 48 3HE MET 48 3.426 8.260 -2.855 404 H GLU 49 H GLU 49 3.589 10.256 3.429 405 HA GLU 49 HA GLU 49 5.737 12.198 3.720 406 HB2 GLU 49 2HB GLU 49 2.729 12.467 4.141 407 HB3 GLU 49 1HB GLU 49 3.874 13.801 4.258 408 HG2 GLU 49 2HG GLU 49 4.483 13.503 1.889 409 HG3 GLU 49 1HG GLU 49 3.350 12.155 1.763 410 H LYS 50 H LYS 50 3.625 10.317 5.847 411 HA LYS 50 HA LYS 50 4.416 11.755 8.252 412 HB2 LYS 50 2HB LYS 50 2.575 9.424 7.707 413 HB3 LYS 50 1HB LYS 50 3.182 9.650 9.339 414 HG2 LYS 50 2HG LYS 50 0.947 10.641 9.012 415 HG3 LYS 50 1HG LYS 50 2.156 11.825 9.507 416 HD2 LYS 50 2HD LYS 50 2.300 12.659 7.189 417 HD3 LYS 50 1HD LYS 50 1.132 11.441 6.665 418 HE2 LYS 50 2HE LYS 50 -0.600 12.457 8.062 419 HE3 LYS 50 1HE LYS 50 0.563 13.619 8.705 420 HZ1 LYS 50 1HZ LYS 50 -0.772 14.632 6.987 421 HZ2 LYS 50 2HZ LYS 50 -0.343 13.435 5.881 422 HZ3 LYS 50 3HZ LYS 50 0.825 14.509 6.448 423 H GLN 51 H GLN 51 5.225 10.456 10.142 424 HA GLN 51 HA GLN 51 7.843 9.502 9.358 425 HB2 GLN 51 2HB GLN 51 7.496 11.232 11.135 426 HB3 GLN 51 1HB GLN 51 6.675 10.032 12.124 427 HG2 GLN 51 2HG GLN 51 8.740 8.717 12.262 428 HG3 GLN 51 1HG GLN 51 9.569 9.879 11.235 429 HE21 GLN 51 1HE2 GLN 51 8.324 12.218 12.592 430 HE22 GLN 51 2HE2 GLN 51 9.130 12.334 14.112 431 H THR 52 H THR 52 8.594 7.460 9.568 432 HA THR 52 HA THR 52 6.931 5.221 10.198 433 HB THR 52 HB THR 52 9.972 5.330 9.905 434 HG1 THR 52 HG1 THR 52 7.934 5.550 8.090 435 HG21 THR 52 1HG2 THR 52 9.810 2.924 9.353 436 HG22 THR 52 2HG2 THR 52 8.067 2.968 9.622 437 HG23 THR 52 3HG2 THR 52 9.173 3.224 10.973 438 HA PRO 53 HA PRO 53 7.460 5.710 14.698 439 HB2 PRO 53 2HB PRO 53 6.181 3.413 15.503 440 HB3 PRO 53 1HB PRO 53 5.300 4.810 14.851 441 HG2 PRO 53 2HG PRO 53 6.170 2.315 13.420 442 HG3 PRO 53 1HG PRO 53 4.582 3.116 13.414 443 HD2 PRO 53 2HD PRO 53 6.320 3.491 11.400 444 HD3 PRO 53 1HD PRO 53 5.280 4.815 11.977 445 HA PRO 54 HA PRO 54 11.057 3.174 15.755 446 HB2 PRO 54 2HB PRO 54 10.955 3.251 18.517 447 HB3 PRO 54 1HB PRO 54 11.510 4.616 17.526 448 HG2 PRO 54 2HG PRO 54 8.818 4.164 18.763 449 HG3 PRO 54 1HG PRO 54 9.793 5.651 18.699 450 HD2 PRO 54 2HD PRO 54 7.730 5.250 16.998 451 HD3 PRO 54 1HD PRO 54 9.197 6.120 16.495 452 H GLY 55 H GLY 55 8.075 2.472 17.632 453 HA2 GLY 55 2HA GLY 55 8.811 -0.175 18.404 454 HA3 GLY 55 1HA GLY 55 7.222 0.554 18.539 455 H ILE 56 H ILE 56 9.419 -1.004 16.259 456 HA ILE 56 HA ILE 56 7.126 -2.317 14.914 457 HB ILE 56 HB ILE 56 9.747 -1.397 13.627 458 HG12 ILE 56 2HG1 ILE 56 6.891 -0.468 13.081 459 HG13 ILE 56 1HG1 ILE 56 8.104 0.452 13.965 460 HG21 ILE 56 1HG2 ILE 56 7.447 -2.906 12.325 461 HG22 ILE 56 2HG2 ILE 56 9.041 -3.567 12.683 462 HG23 ILE 56 3HG2 ILE 56 8.872 -2.280 11.491 463 HD11 ILE 56 1HD1 ILE 56 8.221 -0.323 11.055 464 HD12 ILE 56 2HD1 ILE 56 9.485 0.546 11.934 465 HD13 ILE 56 3HD1 ILE 56 7.894 1.278 11.718 466 H THR 57 H THR 57 7.222 -4.211 16.105 467 HA THR 57 HA THR 57 9.648 -5.662 16.650 468 HB THR 57 HB THR 57 8.107 -7.478 17.407 469 HG1 THR 57 HG1 THR 57 5.766 -6.750 17.355 470 HG21 THR 57 1HG2 THR 57 6.984 -6.254 19.234 471 HG22 THR 57 2HG2 THR 57 7.244 -4.726 18.390 472 HG23 THR 57 3HG2 THR 57 8.626 -5.646 18.997 473 H ARG 58 H ARG 58 9.493 -8.179 15.905 474 HA ARG 58 HA ARG 58 9.925 -8.206 13.096 475 HB2 ARG 58 2HB ARG 58 11.087 -9.807 14.573 476 HB3 ARG 58 1HB ARG 58 9.557 -10.557 15.017 477 HG2 ARG 58 2HG ARG 58 10.794 -11.929 13.379 478 HG3 ARG 58 1HG ARG 58 9.257 -11.372 12.714 479 HD2 ARG 58 2HD ARG 58 10.617 -9.459 11.635 480 HD3 ARG 58 1HD ARG 58 12.053 -10.400 12.062 481 HE ARG 58 HE ARG 58 10.180 -12.013 10.655 482 HH11 ARG 58 1HH1 ARG 58 12.469 -9.407 10.062 483 HH12 ARG 58 2HH1 ARG 58 12.734 -9.858 8.409 484 HH21 ARG 58 1HH2 ARG 58 10.543 -12.588 8.484 485 HH22 ARG 58 2HH2 ARG 58 11.644 -11.658 7.517 486 H SER 59 H SER 59 7.176 -9.234 15.112 487 HA SER 59 HA SER 59 5.527 -10.355 13.132 488 HB2 SER 59 2HB SER 59 4.749 -8.882 15.684 489 HB3 SER 59 1HB SER 59 3.668 -9.909 14.739 490 HG SER 59 HG SER 59 5.369 -11.581 15.079 491 H ILE 60 H ILE 60 5.755 -7.007 14.313 492 HA ILE 60 HA ILE 60 3.785 -5.857 12.630 493 HB ILE 60 HB ILE 60 6.179 -4.572 14.022 494 HG12 ILE 60 2HG1 ILE 60 3.230 -4.675 14.829 495 HG13 ILE 60 1HG1 ILE 60 4.511 -5.642 15.548 496 HG21 ILE 60 1HG2 ILE 60 3.800 -3.182 12.735 497 HG22 ILE 60 2HG2 ILE 60 5.470 -3.120 12.171 498 HG23 ILE 60 3HG2 ILE 60 5.039 -2.392 13.717 499 HD11 ILE 60 1HD1 ILE 60 4.239 -2.646 15.692 500 HD12 ILE 60 2HD1 ILE 60 5.573 -3.583 16.369 501 HD13 ILE 60 3HD1 ILE 60 3.936 -3.806 16.985 502 H GLN 61 H GLN 61 7.259 -6.390 12.236 503 HA GLN 61 HA GLN 61 7.713 -4.937 9.853 504 HB2 GLN 61 2HB GLN 61 9.547 -5.656 11.311 505 HB3 GLN 61 1HB GLN 61 9.166 -7.351 11.035 506 HG2 GLN 61 2HG GLN 61 9.824 -7.115 8.670 507 HG3 GLN 61 1HG GLN 61 10.190 -5.409 8.944 508 HE21 GLN 61 1HE2 GLN 61 12.336 -5.798 8.259 509 HE22 GLN 61 2HE2 GLN 61 13.487 -6.556 9.295 510 H ASP 62 H ASP 62 6.778 -8.322 10.427 511 HA ASP 62 HA ASP 62 6.863 -9.167 7.699 512 HB2 ASP 62 2HB ASP 62 5.506 -10.357 10.145 513 HB3 ASP 62 1HB ASP 62 5.438 -11.123 8.562 514 H MET 63 H MET 63 4.211 -8.008 9.810 515 HA MET 63 HA MET 63 2.115 -8.370 7.920 516 HB2 MET 63 2HB MET 63 2.270 -6.478 10.302 517 HB3 MET 63 1HB MET 63 0.819 -6.708 9.333 518 HG2 MET 63 2HG MET 63 0.830 -9.111 9.952 519 HG3 MET 63 1HG MET 63 2.214 -8.803 11.002 520 HE1 MET 63 1HE MET 63 0.602 -6.267 13.603 521 HE2 MET 63 2HE MET 63 1.374 -5.802 12.089 522 HE3 MET 63 3HE MET 63 2.095 -7.056 13.101 523 H VAL 64 H VAL 64 3.969 -5.432 8.780 524 HA VAL 64 HA VAL 64 2.747 -3.667 6.954 525 HB VAL 64 HB VAL 64 5.497 -3.520 8.281 526 HG11 VAL 64 1HG1 VAL 64 5.601 -2.163 6.248 527 HG12 VAL 64 2HG1 VAL 64 5.525 -1.101 7.655 528 HG13 VAL 64 3HG1 VAL 64 4.086 -1.364 6.667 529 HG21 VAL 64 1HG2 VAL 64 3.591 -3.425 9.837 530 HG22 VAL 64 2HG2 VAL 64 2.875 -2.107 8.907 531 HG23 VAL 64 3HG2 VAL 64 4.398 -1.855 9.764 532 H ALA 65 H ALA 65 5.933 -5.368 6.667 533 HA ALA 65 HA ALA 65 6.461 -4.557 4.009 534 HB1 ALA 65 1HB ALA 65 8.172 -6.301 3.918 535 HB2 ALA 65 2HB ALA 65 7.477 -7.092 5.343 536 HB3 ALA 65 3HB ALA 65 8.216 -5.499 5.489 537 H GLY 66 H GLY 66 4.727 -7.379 5.284 538 HA2 GLY 66 2HA GLY 66 4.317 -8.821 2.892 539 HA3 GLY 66 1HA GLY 66 3.272 -8.872 4.308 540 H TYR 67 H TYR 67 2.528 -6.136 4.348 541 HA TYR 67 HA TYR 67 0.435 -6.096 2.373 542 HB2 TYR 67 2HB TYR 67 1.238 -4.056 4.481 543 HB3 TYR 67 1HB TYR 67 -0.154 -3.867 3.415 544 HD1 TYR 67 HD1 TYR 67 -0.372 -7.256 3.845 545 HD2 TYR 67 HD2 TYR 67 -0.643 -3.697 6.203 546 HE1 TYR 67 HE1 TYR 67 -1.799 -8.434 5.470 547 HE2 TYR 67 HE2 TYR 67 -2.065 -4.876 7.791 548 HH TYR 67 HH TYR 67 -2.437 -8.271 7.797 549 H ILE 68 H ILE 68 3.511 -4.402 2.818 550 HA ILE 68 HA ILE 68 3.267 -2.457 0.798 551 HB ILE 68 HB ILE 68 5.858 -3.882 1.624 552 HG12 ILE 68 2HG1 ILE 68 4.686 -1.257 2.658 553 HG13 ILE 68 1HG1 ILE 68 4.771 -2.758 3.556 554 HG21 ILE 68 1HG2 ILE 68 6.083 -2.737 -0.548 555 HG22 ILE 68 2HG2 ILE 68 7.021 -1.897 0.685 556 HG23 ILE 68 3HG2 ILE 68 5.471 -1.237 0.158 557 HD11 ILE 68 1HD1 ILE 68 7.123 -1.132 2.626 558 HD12 ILE 68 2HD1 ILE 68 7.206 -2.649 3.525 559 HD13 ILE 68 3HD1 ILE 68 6.487 -1.220 4.269 560 H LYS 69 H LYS 69 4.672 -5.735 0.705 561 HA LYS 69 HA LYS 69 5.269 -5.871 -2.032 562 HB2 LYS 69 2HB LYS 69 6.112 -7.469 -0.274 563 HB3 LYS 69 1HB LYS 69 4.517 -8.187 -0.198 564 HG2 LYS 69 2HG LYS 69 5.880 -9.641 -1.506 565 HG3 LYS 69 1HG LYS 69 4.778 -8.851 -2.625 566 HD2 LYS 69 2HD LYS 69 7.614 -7.826 -2.211 567 HD3 LYS 69 1HD LYS 69 7.281 -9.156 -3.316 568 HE2 LYS 69 2HE LYS 69 6.200 -6.325 -3.529 569 HE3 LYS 69 1HE LYS 69 7.433 -7.056 -4.551 570 HZ1 LYS 69 1HZ LYS 69 4.587 -7.901 -4.389 571 HZ2 LYS 69 2HZ LYS 69 5.767 -8.625 -5.355 572 HZ3 LYS 69 3HZ LYS 69 5.298 -7.032 -5.649 573 H GLN 70 H GLN 70 2.398 -6.893 -0.185 574 HA GLN 70 HA GLN 70 0.947 -8.116 -2.222 575 HB2 GLN 70 2HB GLN 70 0.309 -8.298 0.160 576 HB3 GLN 70 1HB GLN 70 -0.154 -6.597 0.186 577 HG2 GLN 70 2HG GLN 70 -1.920 -7.074 -1.499 578 HG3 GLN 70 1HG GLN 70 -1.458 -8.776 -1.477 579 HE21 GLN 70 1HE2 GLN 70 -3.471 -9.461 -0.803 580 HE22 GLN 70 2HE2 GLN 70 -4.098 -9.161 0.778 581 H THR 71 H THR 71 1.034 -4.672 -1.257 582 HA THR 71 HA THR 71 -1.099 -4.011 -3.100 583 HB THR 71 HB THR 71 -0.999 -2.839 -0.946 584 HG1 THR 71 HG1 THR 71 -0.711 -1.241 -3.289 585 HG21 THR 71 1HG2 THR 71 1.490 -1.422 -1.951 586 HG22 THR 71 2HG2 THR 71 1.447 -2.605 -0.644 587 HG23 THR 71 3HG2 THR 71 0.595 -1.072 -0.465 588 H LEU 72 H LEU 72 2.397 -4.084 -3.133 589 HA LEU 72 HA LEU 72 2.700 -2.501 -5.526 590 HB2 LEU 72 2HB LEU 72 4.596 -4.546 -4.284 591 HB3 LEU 72 1HB LEU 72 4.998 -3.528 -5.658 592 HG LEU 72 HG LEU 72 4.512 -2.654 -2.802 593 HD11 LEU 72 1HD1 LEU 72 6.946 -2.317 -4.566 594 HD12 LEU 72 2HD1 LEU 72 6.764 -3.481 -3.252 595 HD13 LEU 72 3HD1 LEU 72 6.774 -1.756 -2.897 596 HD21 LEU 72 1HD2 LEU 72 3.349 -1.048 -4.145 597 HD22 LEU 72 2HD2 LEU 72 4.732 -0.870 -5.236 598 HD23 LEU 72 3HD2 LEU 72 4.843 -0.321 -3.564 599 H ASP 73 H ASP 73 2.121 -5.895 -4.807 600 HA ASP 73 HA ASP 73 2.355 -6.920 -7.441 601 HB2 ASP 73 2HB ASP 73 0.660 -7.918 -5.100 602 HB3 ASP 73 1HB ASP 73 0.765 -8.760 -6.644 603 H ASN 74 H ASN 74 -0.518 -6.004 -5.553 604 HA ASN 74 HA ASN 74 -2.467 -6.193 -7.531 605 HB2 ASN 74 2HB ASN 74 -2.483 -4.217 -5.194 606 HB3 ASN 74 1HB ASN 74 -3.891 -4.802 -6.077 607 HD21 ASN 74 1HD2 ASN 74 -3.357 -4.934 -3.238 608 HD22 ASN 74 2HD2 ASN 74 -3.393 -6.608 -2.813 609 H GLU 75 H GLU 75 -0.451 -3.437 -6.615 610 HA GLU 75 HA GLU 75 -1.524 -1.395 -8.203 611 HB2 GLU 75 2HB GLU 75 0.265 -1.175 -6.381 612 HB3 GLU 75 1HB GLU 75 1.432 -1.782 -7.539 613 HG2 GLU 75 2HG GLU 75 1.773 0.507 -7.619 614 HG3 GLU 75 1HG GLU 75 0.713 0.238 -9.000 615 H GLN 76 H GLN 76 1.281 -3.522 -8.840 616 HA GLN 76 HA GLN 76 1.745 -2.443 -11.452 617 HB2 GLN 76 2HB GLN 76 3.537 -3.314 -9.925 618 HB3 GLN 76 1HB GLN 76 2.945 -4.948 -10.200 619 HG2 GLN 76 2HG GLN 76 3.457 -4.723 -12.604 620 HG3 GLN 76 1HG GLN 76 4.049 -3.088 -12.326 621 HE21 GLN 76 1HE2 GLN 76 4.648 -5.886 -10.204 622 HE22 GLN 76 2HE2 GLN 76 6.349 -5.956 -10.502 623 H LEU 77 H LEU 77 -0.074 -5.189 -10.256 624 HA LEU 77 HA LEU 77 -0.400 -6.594 -12.723 625 HB2 LEU 77 2HB LEU 77 -2.118 -6.550 -10.206 626 HB3 LEU 77 1HB LEU 77 -2.449 -7.598 -11.575 627 HG LEU 77 HG LEU 77 0.085 -7.697 -9.890 628 HD11 LEU 77 1HD1 LEU 77 -2.303 -9.564 -9.856 629 HD12 LEU 77 2HD1 LEU 77 -1.838 -8.431 -8.584 630 HD13 LEU 77 3HD1 LEU 77 -0.794 -9.797 -8.967 631 HD21 LEU 77 1HD2 LEU 77 -0.850 -9.558 -12.094 632 HD22 LEU 77 2HD2 LEU 77 0.565 -9.801 -11.067 633 HD23 LEU 77 3HD2 LEU 77 0.510 -8.434 -12.174 634 H LEU 78 H LEU 78 -2.367 -4.143 -10.993 635 HA LEU 78 HA LEU 78 -4.280 -3.583 -12.949 636 HB2 LEU 78 2HB LEU 78 -2.987 -1.836 -10.832 637 HB3 LEU 78 1HB LEU 78 -4.147 -1.143 -11.954 638 HG LEU 78 HG LEU 78 -4.703 -3.404 -9.999 639 HD11 LEU 78 1HD1 LEU 78 -4.487 -1.207 -8.911 640 HD12 LEU 78 2HD1 LEU 78 -6.147 -1.803 -8.861 641 HD13 LEU 78 3HD1 LEU 78 -5.700 -0.542 -10.014 642 HD21 LEU 78 1HD2 LEU 78 -6.536 -2.044 -11.996 643 HD22 LEU 78 2HD2 LEU 78 -7.043 -3.186 -10.751 644 HD23 LEU 78 3HD2 LEU 78 -5.978 -3.720 -12.045 645 H LYS 79 H LYS 79 -0.993 -2.302 -12.606 646 HA LYS 79 HA LYS 79 -1.155 -0.339 -14.643 647 HB2 LYS 79 2HB LYS 79 1.281 -1.715 -13.431 648 HB3 LYS 79 1HB LYS 79 1.346 -0.284 -14.452 649 HG2 LYS 79 2HG LYS 79 0.027 -0.486 -11.740 650 HG3 LYS 79 1HG LYS 79 1.543 0.331 -12.097 651 HD2 LYS 79 2HD LYS 79 0.441 2.081 -13.286 652 HD3 LYS 79 1HD LYS 79 -1.070 1.171 -13.403 653 HE2 LYS 79 2HE LYS 79 0.130 2.294 -10.841 654 HE3 LYS 79 1HE LYS 79 -1.251 2.957 -11.722 655 HZ1 LYS 79 1HZ LYS 79 -1.944 1.604 -9.842 656 HZ2 LYS 79 2HZ LYS 79 -1.142 0.260 -10.480 657 HZ3 LYS 79 3HZ LYS 79 -2.468 0.921 -11.296 658 H GLY 80 H GLY 80 -0.055 -3.700 -14.697 659 HA2 GLY 80 2HA GLY 80 0.762 -3.790 -17.439 660 HA3 GLY 80 1HA GLY 80 0.396 -5.168 -16.407 661 H LEU 81 H LEU 81 -2.266 -4.324 -15.733 662 HA LEU 81 HA LEU 81 -3.819 -5.254 -17.924 663 HB2 LEU 81 2HB LEU 81 -4.283 -5.341 -15.375 664 HB3 LEU 81 1HB LEU 81 -4.849 -3.696 -15.520 665 HG LEU 81 HG LEU 81 -6.100 -6.088 -16.939 666 HD11 LEU 81 1HD1 LEU 81 -7.036 -4.669 -14.421 667 HD12 LEU 81 2HD1 LEU 81 -6.372 -6.301 -14.522 668 HD13 LEU 81 3HD1 LEU 81 -7.916 -5.938 -15.285 669 HD21 LEU 81 1HD2 LEU 81 -6.547 -4.016 -18.143 670 HD22 LEU 81 2HD2 LEU 81 -7.135 -3.252 -16.666 671 HD23 LEU 81 3HD2 LEU 81 -8.017 -4.611 -17.373 672 H LEU 82 H LEU 82 -3.045 -1.995 -16.672 673 HA LEU 82 HA LEU 82 -5.097 -0.617 -18.142 674 HB2 LEU 82 2HB LEU 82 -2.696 0.377 -16.546 675 HB3 LEU 82 1HB LEU 82 -3.867 1.457 -17.284 676 HG LEU 82 HG LEU 82 -4.659 -0.634 -15.223 677 HD11 LEU 82 1HD1 LEU 82 -3.921 2.254 -14.683 678 HD12 LEU 82 2HD1 LEU 82 -3.044 0.822 -14.147 679 HD13 LEU 82 3HD1 LEU 82 -4.658 1.148 -13.520 680 HD21 LEU 82 1HD2 LEU 82 -6.511 0.182 -16.594 681 HD22 LEU 82 2HD2 LEU 82 -6.108 1.852 -16.185 682 HD23 LEU 82 3HD2 LEU 82 -6.668 0.742 -14.930 683 H GLN 83 H GLN 83 -1.511 -0.259 -18.285 684 HA GLN 83 HA GLN 83 -1.165 -0.785 -20.998 685 HB2 GLN 83 2HB GLN 83 -2.525 1.307 -21.351 686 HB3 GLN 83 1HB GLN 83 -1.298 2.229 -20.498 687 HG2 GLN 83 2HG GLN 83 -1.109 2.471 -22.942 688 HG3 GLN 83 1HG GLN 83 0.337 1.735 -22.251 689 HE21 GLN 83 1HE2 GLN 83 0.784 -0.458 -22.712 690 HE22 GLN 83 2HE2 GLN 83 0.002 -1.297 -24.002 691 H GLN 84 H GLN 84 -0.075 1.489 -18.477 692 HA GLN 84 HA GLN 84 2.767 0.778 -19.014 693 HB2 GLN 84 2HB GLN 84 1.647 3.472 -18.116 694 HB3 GLN 84 1HB GLN 84 3.357 3.087 -18.263 695 HG2 GLN 84 2HG GLN 84 3.112 2.831 -20.687 696 HG3 GLN 84 1HG GLN 84 1.380 3.152 -20.558 697 HE21 GLN 84 1HE2 GLN 84 0.686 5.282 -20.106 698 HE22 GLN 84 2HE2 GLN 84 1.731 6.647 -20.271 699 H ARG 85 H ARG 85 4.173 0.883 -17.142 700 HA ARG 85 HA ARG 85 3.133 -0.256 -14.768 701 HB2 ARG 85 2HB ARG 85 5.859 0.995 -15.279 702 HB3 ARG 85 1HB ARG 85 5.438 0.078 -13.835 703 HG2 ARG 85 2HG ARG 85 4.990 -1.916 -15.267 704 HG3 ARG 85 1HG ARG 85 5.538 -0.992 -16.672 705 HD2 ARG 85 2HD ARG 85 7.328 -2.446 -15.787 706 HD3 ARG 85 1HD ARG 85 7.766 -0.739 -15.656 707 HE ARG 85 HE ARG 85 6.531 -1.900 -13.289 708 HH11 ARG 85 1HH1 ARG 85 9.609 -1.219 -14.877 709 HH12 ARG 85 2HH1 ARG 85 10.519 -1.299 -13.402 710 HH21 ARG 85 1HH2 ARG 85 7.731 -1.951 -11.369 711 HH22 ARG 85 2HH2 ARG 85 9.447 -1.714 -11.410 712 H LEU 86 H LEU 86 3.341 2.960 -15.769 713 HA LEU 86 HA LEU 86 2.406 4.020 -13.189 714 HB2 LEU 86 2HB LEU 86 4.659 5.171 -14.905 715 HB3 LEU 86 1HB LEU 86 3.918 6.026 -13.565 716 HG LEU 86 HG LEU 86 5.385 3.381 -13.226 717 HD11 LEU 86 1HD1 LEU 86 6.966 4.994 -14.112 718 HD12 LEU 86 2HD1 LEU 86 7.313 4.669 -12.417 719 HD13 LEU 86 3HD1 LEU 86 6.508 6.171 -12.879 720 HD21 LEU 86 1HD2 LEU 86 5.491 4.013 -10.844 721 HD22 LEU 86 2HD2 LEU 86 3.827 3.885 -11.407 722 HD23 LEU 86 3HD2 LEU 86 4.560 5.475 -11.186 723 H ASP 87 H ASP 87 2.105 6.675 -14.002 724 HA ASP 87 HA ASP 87 1.047 8.200 -15.282 725 HB2 ASP 87 2HB ASP 87 2.817 7.363 -16.930 726 HB3 ASP 87 1HB ASP 87 1.573 6.355 -17.652 727 H GLU 88 H GLU 88 -0.771 7.156 -13.940 728 HA GLU 88 HA GLU 88 -3.151 7.287 -15.411 729 HB2 GLU 88 2HB GLU 88 -2.630 4.973 -16.145 730 HB3 GLU 88 1HB GLU 88 -2.478 4.448 -14.473 731 HG2 GLU 88 2HG GLU 88 -4.623 3.765 -15.505 732 HG3 GLU 88 1HG GLU 88 -4.855 4.795 -14.094 733 H LEU 89 H LEU 89 -2.310 5.246 -12.607 734 HA LEU 89 HA LEU 89 -4.263 6.654 -10.930 735 HB2 LEU 89 2HB LEU 89 -2.606 4.153 -10.379 736 HB3 LEU 89 1HB LEU 89 -3.863 4.785 -9.331 737 HG LEU 89 HG LEU 89 -4.291 3.629 -12.117 738 HD11 LEU 89 1HD1 LEU 89 -3.753 1.899 -10.467 739 HD12 LEU 89 2HD1 LEU 89 -5.431 1.780 -10.984 740 HD13 LEU 89 3HD1 LEU 89 -5.044 2.478 -9.409 741 HD21 LEU 89 1HD2 LEU 89 -6.349 4.671 -10.143 742 HD22 LEU 89 2HD2 LEU 89 -6.704 3.830 -11.655 743 HD23 LEU 89 3HD2 LEU 89 -5.913 5.403 -11.690 744 H SER 90 H SER 90 -1.682 7.947 -11.707 745 HA SER 90 HA SER 90 -0.216 8.011 -9.134 746 HB2 SER 90 2HB SER 90 1.794 8.566 -10.656 747 HB3 SER 90 1HB SER 90 1.203 6.905 -10.693 748 HG SER 90 HG SER 90 0.703 8.962 -12.593 749 H SER 91 H SER 91 -1.611 9.792 -8.484 750 HA SER 91 HA SER 91 -0.278 12.344 -9.201 751 HB2 SER 91 2HB SER 91 -3.142 12.014 -8.188 752 HB3 SER 91 1HB SER 91 -2.337 13.547 -8.518 753 HG SER 91 HG SER 91 -2.700 11.537 -10.486 754 H LEU 92 H LEU 92 1.312 12.166 -7.679 755 HA LEU 92 HA LEU 92 0.611 11.774 -4.822 756 HB2 LEU 92 2HB LEU 92 2.838 10.416 -6.405 757 HB3 LEU 92 1HB LEU 92 2.733 10.388 -4.651 758 HG LEU 92 HG LEU 92 0.781 9.105 -6.600 759 HD11 LEU 92 1HD1 LEU 92 2.675 7.873 -4.577 760 HD12 LEU 92 2HD1 LEU 92 2.871 7.870 -6.331 761 HD13 LEU 92 3HD1 LEU 92 1.529 6.999 -5.598 762 HD21 LEU 92 1HD2 LEU 92 -0.469 10.000 -4.696 763 HD22 LEU 92 2HD2 LEU 92 0.629 9.201 -3.567 764 HD23 LEU 92 3HD2 LEU 92 -0.409 8.240 -4.627 765 H ILE 93 H ILE 93 3.269 11.900 -3.859 766 HA ILE 93 HA ILE 93 4.182 14.416 -3.529 767 HB ILE 93 HB ILE 93 5.950 11.967 -4.047 768 HG12 ILE 93 2HG1 ILE 93 4.883 13.054 -1.391 769 HG13 ILE 93 1HG1 ILE 93 4.238 11.652 -2.235 770 HG21 ILE 93 1HG2 ILE 93 6.678 14.540 -2.584 771 HG22 ILE 93 2HG2 ILE 93 7.317 14.013 -4.141 772 HG23 ILE 93 3HG2 ILE 93 7.691 13.096 -2.682 773 HD11 ILE 93 1HD1 ILE 93 5.654 10.987 -0.394 774 HD12 ILE 93 2HD1 ILE 93 7.006 11.897 -1.065 775 HD13 ILE 93 3HD1 ILE 93 6.372 10.492 -1.926 776 H GLY 94 H GLY 94 4.941 12.380 -6.337 777 HA2 GLY 94 2HA GLY 94 4.786 14.661 -8.098 778 HA3 GLY 94 1HA GLY 94 6.404 13.964 -7.997 779 H GLN 95 H GLN 95 6.205 13.361 -10.261 780 HA GLN 95 HA GLN 95 4.435 11.227 -11.049 781 HB2 GLN 95 2HB GLN 95 5.743 11.094 -13.085 782 HB3 GLN 95 1HB GLN 95 5.551 12.799 -12.693 783 HG2 GLN 95 2HG GLN 95 7.830 12.854 -11.771 784 HG3 GLN 95 1HG GLN 95 8.023 11.142 -12.131 785 HE21 GLN 95 1HE2 GLN 95 6.645 11.357 -14.757 786 HE22 GLN 95 2HE2 GLN 95 7.778 12.141 -15.796 787 H SER 96 H SER 96 5.524 9.109 -11.839 788 HA SER 96 HA SER 96 5.927 7.055 -11.059 789 HB2 SER 96 2HB SER 96 8.314 6.582 -10.454 790 HB3 SER 96 1HB SER 96 8.149 7.546 -11.916 791 HG SER 96 HG SER 96 8.638 9.388 -10.652 792 H THR 97 H THR 97 7.889 8.439 -8.460 793 HA THR 97 HA THR 97 7.860 8.320 -6.231 794 HB THR 97 HB THR 97 4.852 8.722 -6.513 795 HG1 THR 97 HG1 THR 97 6.649 10.256 -7.469 796 HG21 THR 97 1HG2 THR 97 5.486 8.164 -4.194 797 HG22 THR 97 2HG2 THR 97 5.007 9.857 -4.326 798 HG23 THR 97 3HG2 THR 97 6.716 9.433 -4.215 799 H ARG 98 H ARG 98 4.747 6.642 -6.770 800 HA ARG 98 HA ARG 98 4.668 5.142 -4.518 801 HB2 ARG 98 2HB ARG 98 3.005 3.706 -5.674 802 HB3 ARG 98 1HB ARG 98 2.753 5.421 -5.944 803 HG2 ARG 98 2HG ARG 98 4.231 4.832 -8.158 804 HG3 ARG 98 1HG ARG 98 3.467 3.266 -7.875 805 HD2 ARG 98 2HD ARG 98 2.101 5.929 -8.357 806 HD3 ARG 98 1HD ARG 98 2.079 4.496 -9.391 807 HE ARG 98 HE ARG 98 0.842 3.379 -7.535 808 HH11 ARG 98 1HH1 ARG 98 0.692 6.870 -7.788 809 HH12 ARG 98 2HH1 ARG 98 -0.847 6.983 -7.001 810 HH21 ARG 98 1HH2 ARG 98 -1.178 3.513 -6.534 811 HH22 ARG 98 2HH2 ARG 98 -1.916 5.075 -6.283 812 H GLN 99 H GLN 99 6.055 3.931 -7.624 813 HA GLN 99 HA GLN 99 6.509 1.286 -6.652 814 HB2 GLN 99 2HB GLN 99 6.287 1.730 -9.068 815 HB3 GLN 99 1HB GLN 99 7.724 2.746 -9.041 816 HG2 GLN 99 2HG GLN 99 8.231 0.556 -10.003 817 HG3 GLN 99 1HG GLN 99 9.122 0.791 -8.503 818 HE21 GLN 99 1HE2 GLN 99 9.419 -1.402 -8.107 819 HE22 GLN 99 2HE2 GLN 99 8.126 -2.475 -7.699 820 H LYS 100 H LYS 100 8.673 4.069 -7.231 821 HA LYS 100 HA LYS 100 11.066 2.918 -6.309 822 HB2 LYS 100 2HB LYS 100 11.113 4.946 -7.661 823 HB3 LYS 100 1HB LYS 100 10.199 5.842 -6.449 824 HG2 LYS 100 2HG LYS 100 12.090 5.662 -4.876 825 HG3 LYS 100 1HG LYS 100 13.006 4.735 -6.065 826 HD2 LYS 100 2HD LYS 100 13.114 6.692 -7.550 827 HD3 LYS 100 1HD LYS 100 12.084 7.615 -6.447 828 HE2 LYS 100 2HE LYS 100 13.801 7.542 -4.714 829 HE3 LYS 100 1HE LYS 100 14.809 6.493 -5.707 830 HZ1 LYS 100 1HZ LYS 100 14.090 9.306 -6.348 831 HZ2 LYS 100 2HZ LYS 100 15.061 8.299 -7.293 832 HZ3 LYS 100 3HZ LYS 100 15.583 8.770 -5.757 833 H SER 101 H SER 101 8.568 4.717 -4.599 834 HA SER 101 HA SER 101 10.109 5.259 -2.260 835 HB2 SER 101 2HB SER 101 8.313 6.792 -3.095 836 HB3 SER 101 1HB SER 101 7.107 5.574 -2.688 837 HG SER 101 HG SER 101 7.107 6.599 -0.851 838 H LEU 102 H LEU 102 7.395 3.067 -3.045 839 HA LEU 102 HA LEU 102 7.265 2.001 -0.363 840 HB2 LEU 102 2HB LEU 102 5.814 1.363 -2.940 841 HB3 LEU 102 1HB LEU 102 5.658 0.315 -1.540 842 HG LEU 102 HG LEU 102 4.700 2.185 -0.227 843 HD11 LEU 102 1HD1 LEU 102 5.740 4.110 -1.298 844 HD12 LEU 102 2HD1 LEU 102 3.986 4.271 -1.254 845 HD13 LEU 102 3HD1 LEU 102 4.790 3.829 -2.761 846 HD21 LEU 102 1HD2 LEU 102 2.514 2.239 -1.343 847 HD22 LEU 102 2HD2 LEU 102 3.226 0.628 -1.391 848 HD23 LEU 102 3HD2 LEU 102 3.253 1.646 -2.835 849 H ASN 103 H ASN 103 8.677 0.917 -3.469 850 HA ASN 103 HA ASN 103 9.374 -1.709 -2.528 851 HB2 ASN 103 2HB ASN 103 9.196 -0.942 -4.998 852 HB3 ASN 103 1HB ASN 103 10.805 -0.264 -4.795 853 HD21 ASN 103 1HD2 ASN 103 11.725 -1.643 -6.316 854 HD22 ASN 103 2HD2 ASN 103 11.926 -3.343 -6.059 855 H ASN 104 H ASN 104 11.034 1.433 -2.594 856 HA ASN 104 HA ASN 104 13.500 0.575 -1.437 857 HB2 ASN 104 2HB ASN 104 13.208 2.808 -2.559 858 HB3 ASN 104 1HB ASN 104 12.199 3.331 -1.215 859 HD21 ASN 104 1HD2 ASN 104 15.458 2.455 -2.190 860 HD22 ASN 104 2HD2 ASN 104 16.265 3.191 -0.852 861 H ALA 105 H ALA 105 10.447 1.806 -0.075 862 HA ALA 105 HA ALA 105 11.140 1.853 2.654 863 HB1 ALA 105 1HB ALA 105 8.405 1.344 1.430 864 HB2 ALA 105 2HB ALA 105 9.116 2.927 1.755 865 HB3 ALA 105 3HB ALA 105 8.721 1.849 3.094 866 H TYR 106 H TYR 106 9.972 -0.776 0.607 867 HA TYR 106 HA TYR 106 9.565 -2.754 2.599 868 HB2 TYR 106 2HB TYR 106 8.760 -2.889 0.183 869 HB3 TYR 106 1HB TYR 106 10.419 -3.210 -0.305 870 HD1 TYR 106 HD1 TYR 106 11.560 -5.353 0.842 871 HD2 TYR 106 HD2 TYR 106 7.350 -4.709 0.699 872 HE1 TYR 106 HE1 TYR 106 11.184 -7.758 1.188 873 HE2 TYR 106 HE2 TYR 106 6.989 -7.096 1.061 874 HH TYR 106 HH TYR 106 9.288 -9.200 2.132 875 H GLY 107 H GLY 107 12.313 -2.048 0.408 876 HA2 GLY 107 2HA GLY 107 14.098 -4.044 1.325 877 HA3 GLY 107 1HA GLY 107 14.552 -2.586 0.454 878 H ARG 108 H ARG 108 13.540 -0.737 2.407 879 HA ARG 108 HA ARG 108 15.802 -0.637 4.167 880 HB2 ARG 108 2HB ARG 108 13.380 1.191 4.005 881 HB3 ARG 108 1HB ARG 108 14.780 1.484 5.029 882 HG2 ARG 108 2HG ARG 108 14.676 1.505 2.003 883 HG3 ARG 108 1HG ARG 108 14.971 2.867 3.079 884 HD2 ARG 108 2HD ARG 108 17.119 1.832 3.768 885 HD3 ARG 108 1HD ARG 108 16.816 0.491 2.657 886 HE ARG 108 HE ARG 108 16.969 3.251 1.636 887 HH11 ARG 108 1HH1 ARG 108 18.304 -0.008 1.689 888 HH12 ARG 108 2HH1 ARG 108 19.366 0.285 0.349 889 HH21 ARG 108 1HH2 ARG 108 18.411 3.631 -0.076 890 HH22 ARG 108 2HH2 ARG 108 19.426 2.339 -0.644 891 H LEU 109 H LEU 109 12.356 -1.438 4.484 892 HA LEU 109 HA LEU 109 12.290 -1.582 7.337 893 HB2 LEU 109 2HB LEU 109 10.237 -1.430 5.938 894 HB3 LEU 109 1HB LEU 109 10.534 -3.051 5.333 895 HG LEU 109 HG LEU 109 10.166 -3.985 7.606 896 HD11 LEU 109 1HD1 LEU 109 9.288 -2.593 9.439 897 HD12 LEU 109 2HD1 LEU 109 9.555 -1.137 8.475 898 HD13 LEU 109 3HD1 LEU 109 10.927 -2.117 8.998 899 HD21 LEU 109 1HD2 LEU 109 7.905 -2.175 6.717 900 HD22 LEU 109 2HD2 LEU 109 7.758 -3.621 7.722 901 HD23 LEU 109 3HD2 LEU 109 8.275 -3.764 6.044 902 H SER 110 H SER 110 12.954 -3.868 4.789 903 HA SER 110 HA SER 110 13.207 -6.227 6.345 904 HB2 SER 110 2HB SER 110 12.725 -6.226 3.887 905 HB3 SER 110 1HB SER 110 14.330 -5.560 3.579 906 HG SER 110 HG SER 110 14.753 -7.662 5.052 907 H GLY 111 H GLY 111 15.502 -3.687 5.236 908 HA2 GLY 111 2HA GLY 111 17.815 -5.138 6.312 909 HA3 GLY 111 1HA GLY 111 17.842 -3.625 5.436 910 H MET 112 H MET 112 16.663 -1.730 6.771 911 HA MET 112 HA MET 112 18.114 -1.661 9.324 912 HB2 MET 112 2HB MET 112 18.424 0.162 7.587 913 HB3 MET 112 1HB MET 112 16.755 0.635 7.852 914 HG2 MET 112 2HG MET 112 18.891 0.672 9.992 915 HG3 MET 112 1HG MET 112 18.381 2.078 9.048 916 HE1 MET 112 1HE MET 112 16.892 2.334 12.828 917 HE2 MET 112 2HE MET 112 18.119 3.019 11.757 918 HE3 MET 112 3HE MET 112 18.320 1.392 12.401 919 H LEU 113 H LEU 113 14.990 -0.125 8.365 920 HA LEU 113 HA LEU 113 13.120 -1.445 9.907 921 HB2 LEU 113 2HB LEU 113 14.762 0.432 11.541 922 HB3 LEU 113 1HB LEU 113 13.042 0.675 11.724 923 HG LEU 113 HG LEU 113 14.442 -1.981 12.232 924 HD11 LEU 113 1HD1 LEU 113 15.168 -0.320 13.881 925 HD12 LEU 113 2HD1 LEU 113 14.156 -1.563 14.609 926 HD13 LEU 113 3HD1 LEU 113 13.481 0.035 14.277 927 HD21 LEU 113 1HD2 LEU 113 11.604 -1.094 12.828 928 HD22 LEU 113 2HD2 LEU 113 12.324 -2.646 13.267 929 HD23 LEU 113 3HD2 LEU 113 12.101 -2.232 11.571 930 H LEU 114 H LEU 114 13.422 -0.060 7.490 931 HA LEU 114 HA LEU 114 12.078 0.856 5.949 932 HB2 LEU 114 2HB LEU 114 10.192 0.387 7.684 933 HB3 LEU 114 1HB LEU 114 10.219 2.107 7.972 934 HG LEU 114 HG LEU 114 9.824 1.104 5.140 935 HD11 LEU 114 1HD1 LEU 114 7.389 0.962 5.445 936 HD12 LEU 114 2HD1 LEU 114 7.578 1.245 7.178 937 HD13 LEU 114 3HD1 LEU 114 8.227 -0.223 6.448 938 HD21 LEU 114 1HD2 LEU 114 8.718 3.543 6.578 939 HD22 LEU 114 2HD2 LEU 114 8.465 3.136 4.878 940 HD23 LEU 114 3HD2 LEU 114 10.081 3.529 5.455 941 H VAL 115 H VAL 115 13.478 2.627 8.473 942 HA VAL 115 HA VAL 115 13.419 5.199 7.099 943 HB VAL 115 HB VAL 115 14.704 6.052 8.972 944 HG11 VAL 115 1HG1 VAL 115 12.559 4.151 10.002 945 HG12 VAL 115 2HG1 VAL 115 12.305 5.786 9.386 946 HG13 VAL 115 3HG1 VAL 115 13.212 5.542 10.876 947 HG21 VAL 115 1HG2 VAL 115 16.314 4.226 9.277 948 HG22 VAL 115 2HG2 VAL 115 15.050 3.185 9.937 949 HG23 VAL 115 3HG2 VAL 115 15.551 4.635 10.814 950 HA PRO 116 HA PRO 116 17.121 4.510 4.641 951 HB2 PRO 116 2HB PRO 116 18.398 6.975 4.836 952 HB3 PRO 116 1HB PRO 116 16.991 6.667 3.799 953 HG2 PRO 116 2HG PRO 116 17.068 7.897 6.538 954 HG3 PRO 116 1HG PRO 116 16.168 8.419 5.095 955 HD2 PRO 116 2HD PRO 116 14.940 7.050 7.045 956 HD3 PRO 116 1HD PRO 116 14.543 6.749 5.335 957 H ASP 117 H ASP 117 19.149 3.701 4.953 958 HA ASP 117 HA ASP 117 20.158 3.227 7.586 959 HB2 ASP 117 2HB ASP 117 21.563 2.761 4.914 960 HB3 ASP 117 1HB ASP 117 21.984 2.017 6.453 961 H ALA 118 H ALA 118 20.786 5.628 5.143 962 HA ALA 118 HA ALA 118 22.427 7.117 4.664 963 HB1 ALA 118 1HB ALA 118 23.308 8.438 6.538 964 HB2 ALA 118 2HB ALA 118 22.761 7.206 7.680 965 HB3 ALA 118 3HB ALA 118 21.583 8.132 6.748 966 HA PRO 119 HA PRO 119 25.567 3.654 5.250 967 HB2 PRO 119 2HB PRO 119 25.922 2.947 2.623 968 HB3 PRO 119 1HB PRO 119 24.566 2.345 3.597 969 HG2 PRO 119 2HG PRO 119 24.599 4.564 1.587 970 HG3 PRO 119 1HG PRO 119 23.385 3.293 1.840 971 HD2 PRO 119 2HD PRO 119 23.089 5.842 2.796 972 HD3 PRO 119 1HD PRO 119 22.363 4.420 3.577 973 H GLY 120 H GLY 120 27.781 3.831 5.173 974 HA2 GLY 120 2HA GLY 120 28.991 6.333 4.343 975 HA3 GLY 120 1HA GLY 120 29.781 4.995 5.169 976 H ALA 121 H ALA 121 29.884 6.688 2.375 977 HA ALA 121 HA ALA 121 30.390 4.491 0.490 978 HB1 ALA 121 1HB ALA 121 30.638 6.308 -1.166 979 HB2 ALA 121 2HB ALA 121 30.498 7.511 0.119 980 HB3 ALA 121 3HB ALA 121 29.126 6.472 -0.269 981 H SER 122 H SER 122 32.404 3.714 0.108 982 HA SER 122 HA SER 122 34.719 4.834 1.457 983 HB2 SER 122 2HB SER 122 34.471 2.285 -0.200 984 HB3 SER 122 1HB SER 122 35.867 2.749 0.775 985 HG SER 122 HG SER 122 34.135 2.883 2.529 Start of MODEL 15 1 H1 MET 1 1H MET 1 1.137 5.134 21.536 2 H2 MET 1 2H MET 1 1.378 3.756 22.476 3 H3 MET 1 3H MET 1 -0.167 4.122 21.905 4 HA MET 1 HA MET 1 2.171 3.436 20.233 5 HB2 MET 1 2HB MET 1 1.265 1.536 21.629 6 HB3 MET 1 1HB MET 1 -0.305 1.755 20.877 7 HG2 MET 1 2HG MET 1 0.731 1.173 18.675 8 HG3 MET 1 1HG MET 1 2.248 0.854 19.518 9 HE1 MET 1 1HE MET 1 0.907 -2.734 18.507 10 HE2 MET 1 2HE MET 1 2.197 -1.553 18.278 11 HE3 MET 1 3HE MET 1 0.600 -1.265 17.582 12 H THR 2 H THR 2 -0.177 5.603 20.250 13 HA THR 2 HA THR 2 -2.114 5.109 18.372 14 HB THR 2 HB THR 2 -0.756 7.801 18.853 15 HG1 THR 2 HG1 THR 2 -2.390 8.059 20.424 16 HG21 THR 2 1HG2 THR 2 -2.927 8.803 18.196 17 HG22 THR 2 2HG2 THR 2 -3.554 7.205 17.794 18 HG23 THR 2 3HG2 THR 2 -2.223 7.885 16.858 19 H SER 3 H SER 3 1.110 6.554 17.705 20 HA SER 3 HA SER 3 0.792 7.049 14.952 21 HB2 SER 3 2HB SER 3 3.303 7.164 14.903 22 HB3 SER 3 1HB SER 3 2.597 8.089 16.228 23 HG SER 3 HG SER 3 4.437 6.258 16.424 24 H THR 4 H THR 4 2.055 4.174 16.648 25 HA THR 4 HA THR 4 2.849 2.724 14.333 26 HB THR 4 HB THR 4 2.137 1.613 17.089 27 HG1 THR 4 HG1 THR 4 4.721 1.745 16.845 28 HG21 THR 4 1HG2 THR 4 3.908 0.445 14.894 29 HG22 THR 4 2HG2 THR 4 2.336 -0.187 15.396 30 HG23 THR 4 3HG2 THR 4 3.701 -0.226 16.512 31 H VAL 5 H VAL 5 -0.138 2.760 16.247 32 HA VAL 5 HA VAL 5 -1.472 0.618 14.941 33 HB VAL 5 HB VAL 5 -2.667 2.995 16.455 34 HG11 VAL 5 1HG1 VAL 5 -4.361 1.979 14.969 35 HG12 VAL 5 2HG1 VAL 5 -4.735 1.652 16.659 36 HG13 VAL 5 3HG1 VAL 5 -4.030 0.385 15.653 37 HG21 VAL 5 1HG2 VAL 5 -1.162 1.611 17.841 38 HG22 VAL 5 2HG2 VAL 5 -2.081 0.164 17.419 39 HG23 VAL 5 3HG2 VAL 5 -2.838 1.446 18.371 40 H GLU 6 H GLU 6 -1.582 4.174 14.467 41 HA GLU 6 HA GLU 6 -3.303 4.295 12.252 42 HB2 GLU 6 2HB GLU 6 -0.952 6.128 12.960 43 HB3 GLU 6 1HB GLU 6 -2.163 6.490 11.736 44 HG2 GLU 6 2HG GLU 6 -2.624 6.223 14.711 45 HG3 GLU 6 1HG GLU 6 -2.643 7.714 13.774 46 H PHE 7 H PHE 7 0.202 3.851 12.470 47 HA PHE 7 HA PHE 7 0.945 4.122 9.789 48 HB2 PHE 7 2HB PHE 7 2.459 4.053 11.842 49 HB3 PHE 7 1HB PHE 7 2.265 2.309 11.869 50 HD1 PHE 7 HD1 PHE 7 3.322 5.062 9.541 51 HD2 PHE 7 HD2 PHE 7 3.957 1.027 10.821 52 HE1 PHE 7 HE1 PHE 7 5.314 4.917 8.110 53 HE2 PHE 7 HE2 PHE 7 5.949 0.888 9.378 54 HZ PHE 7 HZ PHE 7 6.627 2.838 8.029 55 H ILE 8 H ILE 8 0.315 1.118 11.648 56 HA ILE 8 HA ILE 8 0.591 -0.694 9.472 57 HB ILE 8 HB ILE 8 -0.980 -1.184 12.056 58 HG12 ILE 8 2HG1 ILE 8 1.978 -1.812 11.591 59 HG13 ILE 8 1HG1 ILE 8 1.404 -0.403 12.475 60 HG21 ILE 8 1HG2 ILE 8 0.342 -3.166 10.156 61 HG22 ILE 8 2HG2 ILE 8 -1.393 -2.882 10.316 62 HG23 ILE 8 3HG2 ILE 8 -0.488 -3.578 11.659 63 HD11 ILE 8 1HD1 ILE 8 2.065 -2.134 14.005 64 HD12 ILE 8 2HD1 ILE 8 0.966 -3.283 13.245 65 HD13 ILE 8 3HD1 ILE 8 0.322 -1.884 14.112 66 H ASN 9 H ASN 9 -2.182 1.025 10.895 67 HA ASN 9 HA ASN 9 -4.240 -0.428 9.510 68 HB2 ASN 9 2HB ASN 9 -4.570 0.837 11.688 69 HB3 ASN 9 1HB ASN 9 -4.453 2.336 10.778 70 HD21 ASN 9 1HD2 ASN 9 -6.145 -0.584 9.636 71 HD22 ASN 9 2HD2 ASN 9 -7.728 0.096 9.730 72 H ARG 10 H ARG 10 -2.296 2.358 8.782 73 HA ARG 10 HA ARG 10 -3.795 3.222 6.469 74 HB2 ARG 10 2HB ARG 10 -1.036 3.916 7.549 75 HB3 ARG 10 1HB ARG 10 -1.625 4.536 6.014 76 HG2 ARG 10 2HG ARG 10 -3.457 5.700 7.122 77 HG3 ARG 10 1HG ARG 10 -2.988 5.011 8.677 78 HD2 ARG 10 2HD ARG 10 -0.795 6.203 8.510 79 HD3 ARG 10 1HD ARG 10 -1.345 6.949 7.001 80 HE ARG 10 HE ARG 10 -3.287 7.779 8.518 81 HH11 ARG 10 1HH1 ARG 10 0.098 7.559 9.500 82 HH12 ARG 10 2HH1 ARG 10 -0.031 8.851 10.650 83 HH21 ARG 10 1HH2 ARG 10 -3.431 9.456 10.036 84 HH22 ARG 10 2HH2 ARG 10 -2.031 9.927 10.955 85 H TRP 11 H TRP 11 -0.947 1.157 7.114 86 HA TRP 11 HA TRP 11 -0.421 0.505 4.389 87 HB2 TRP 11 2HB TRP 11 0.271 -0.950 6.973 88 HB3 TRP 11 1HB TRP 11 0.706 -1.597 5.393 89 HD1 TRP 11 HD1 TRP 11 2.164 0.416 8.047 90 HE1 TRP 11 HE1 TRP 11 4.198 1.722 7.206 91 HE3 TRP 11 HE3 TRP 11 1.441 -0.017 2.992 92 HZ2 TRP 11 HZ2 TRP 11 5.369 2.481 4.781 93 HZ3 TRP 11 HZ3 TRP 11 3.062 1.056 1.482 94 HH2 TRP 11 HH2 TRP 11 4.986 2.282 2.360 95 H GLN 12 H GLN 12 -2.597 -0.844 6.835 96 HA GLN 12 HA GLN 12 -3.657 -3.020 5.398 97 HB2 GLN 12 2HB GLN 12 -5.017 -1.187 7.441 98 HB3 GLN 12 1HB GLN 12 -5.805 -2.596 6.743 99 HG2 GLN 12 2HG GLN 12 -4.061 -4.045 7.737 100 HG3 GLN 12 1HG GLN 12 -3.325 -2.627 8.482 101 HE21 GLN 12 1HE2 GLN 12 -6.101 -4.769 8.524 102 HE22 GLN 12 2HE2 GLN 12 -6.690 -4.292 10.075 103 H ARG 13 H ARG 13 -4.525 0.407 5.561 104 HA ARG 13 HA ARG 13 -6.813 0.370 3.963 105 HB2 ARG 13 2HB ARG 13 -6.163 2.247 5.477 106 HB3 ARG 13 1HB ARG 13 -4.849 2.670 4.386 107 HG2 ARG 13 2HG ARG 13 -6.739 4.188 4.083 108 HG3 ARG 13 1HG ARG 13 -6.484 3.235 2.619 109 HD2 ARG 13 2HD ARG 13 -8.346 1.740 3.292 110 HD3 ARG 13 1HD ARG 13 -8.604 2.728 4.737 111 HE ARG 13 HE ARG 13 -8.772 4.529 2.725 112 HH11 ARG 13 1HH1 ARG 13 -10.459 1.484 3.290 113 HH12 ARG 13 2HH1 ARG 13 -11.886 1.993 2.442 114 HH21 ARG 13 1HH2 ARG 13 -10.632 5.168 1.618 115 HH22 ARG 13 2HH2 ARG 13 -11.983 4.084 1.494 116 H ILE 14 H ILE 14 -3.392 1.012 3.001 117 HA ILE 14 HA ILE 14 -3.932 1.548 0.246 118 HB ILE 14 HB ILE 14 -1.289 0.447 1.339 119 HG12 ILE 14 2HG1 ILE 14 -2.000 3.413 1.113 120 HG13 ILE 14 1HG1 ILE 14 -2.065 2.507 2.617 121 HG21 ILE 14 1HG2 ILE 14 -1.857 2.203 -1.088 122 HG22 ILE 14 2HG2 ILE 14 -1.486 0.478 -1.126 123 HG23 ILE 14 3HG2 ILE 14 -0.271 1.626 -0.571 124 HD11 ILE 14 1HD1 ILE 14 0.288 2.131 2.596 125 HD12 ILE 14 2HD1 ILE 14 0.003 3.843 2.291 126 HD13 ILE 14 3HD1 ILE 14 0.438 2.781 0.960 127 H ALA 15 H ALA 15 -2.916 -1.369 2.024 128 HA ALA 15 HA ALA 15 -2.498 -3.155 -0.122 129 HB1 ALA 15 1HB ALA 15 -2.621 -4.912 1.615 130 HB2 ALA 15 2HB ALA 15 -3.318 -3.753 2.749 131 HB3 ALA 15 3HB ALA 15 -1.667 -3.540 2.173 132 H LEU 16 H LEU 16 -5.334 -2.429 1.799 133 HA LEU 16 HA LEU 16 -7.015 -4.556 0.783 134 HB2 LEU 16 2HB LEU 16 -7.637 -2.136 2.529 135 HB3 LEU 16 1HB LEU 16 -8.856 -3.316 2.074 136 HG LEU 16 HG LEU 16 -6.364 -3.946 3.708 137 HD11 LEU 16 1HD1 LEU 16 -9.221 -3.595 4.683 138 HD12 LEU 16 2HD1 LEU 16 -7.872 -2.492 4.971 139 HD13 LEU 16 3HD1 LEU 16 -7.839 -4.112 5.658 140 HD21 LEU 16 1HD2 LEU 16 -7.428 -6.110 4.156 141 HD22 LEU 16 2HD2 LEU 16 -7.123 -5.882 2.437 142 HD23 LEU 16 3HD2 LEU 16 -8.761 -5.695 3.074 143 H LEU 17 H LEU 17 -6.697 -1.055 0.267 144 HA LEU 17 HA LEU 17 -8.848 -0.749 -1.547 145 HB2 LEU 17 2HB LEU 17 -6.342 0.905 -1.066 146 HB3 LEU 17 1HB LEU 17 -7.452 1.317 -2.364 147 HG LEU 17 HG LEU 17 -8.218 1.187 0.581 148 HD11 LEU 17 1HD1 LEU 17 -7.755 3.637 -1.147 149 HD12 LEU 17 2HD1 LEU 17 -6.685 3.049 0.127 150 HD13 LEU 17 3HD1 LEU 17 -8.299 3.621 0.536 151 HD21 LEU 17 1HD2 LEU 17 -10.326 2.245 -0.129 152 HD22 LEU 17 2HD2 LEU 17 -10.112 0.660 -0.864 153 HD23 LEU 17 3HD2 LEU 17 -9.832 2.119 -1.821 154 H SER 18 H SER 18 -5.352 -1.366 -2.130 155 HA SER 18 HA SER 18 -5.526 -1.438 -4.968 156 HB2 SER 18 2HB SER 18 -3.276 -2.496 -4.880 157 HB3 SER 18 1HB SER 18 -3.373 -1.092 -3.815 158 HG SER 18 HG SER 18 -3.688 -2.537 -2.073 159 H GLN 19 H GLN 19 -5.968 -3.922 -2.468 160 HA GLN 19 HA GLN 19 -6.175 -6.213 -4.109 161 HB2 GLN 19 2HB GLN 19 -6.004 -6.253 -1.592 162 HB3 GLN 19 1HB GLN 19 -7.658 -5.660 -1.500 163 HG2 GLN 19 2HG GLN 19 -7.694 -8.033 -1.122 164 HG3 GLN 19 1HG GLN 19 -8.413 -7.728 -2.703 165 HE21 GLN 19 1HE2 GLN 19 -5.774 -9.190 -1.005 166 HE22 GLN 19 2HE2 GLN 19 -5.057 -9.974 -2.369 167 H SER 20 H SER 20 -8.595 -3.928 -2.940 168 HA SER 20 HA SER 20 -10.896 -4.997 -4.143 169 HB2 SER 20 2HB SER 20 -10.257 -2.114 -3.370 170 HB3 SER 20 1HB SER 20 -11.870 -2.734 -3.734 171 HG SER 20 HG SER 20 -10.301 -3.983 -1.765 172 H LEU 21 H LEU 21 -8.621 -2.493 -5.235 173 HA LEU 21 HA LEU 21 -9.897 -1.697 -7.604 174 HB2 LEU 21 2HB LEU 21 -6.922 -1.615 -6.907 175 HB3 LEU 21 1HB LEU 21 -7.654 -0.763 -8.256 176 HG LEU 21 HG LEU 21 -8.176 -0.210 -5.315 177 HD11 LEU 21 1HD1 LEU 21 -5.947 0.513 -5.978 178 HD12 LEU 21 2HD1 LEU 21 -6.982 1.903 -5.666 179 HD13 LEU 21 3HD1 LEU 21 -6.617 1.432 -7.330 180 HD21 LEU 21 1HD2 LEU 21 -9.270 1.243 -7.728 181 HD22 LEU 21 2HD2 LEU 21 -9.462 1.734 -6.043 182 HD23 LEU 21 3HD2 LEU 21 -10.184 0.230 -6.604 183 H LEU 22 H LEU 22 -7.526 -4.227 -6.886 184 HA LEU 22 HA LEU 22 -6.903 -5.051 -9.494 185 HB2 LEU 22 2HB LEU 22 -5.591 -5.691 -7.485 186 HB3 LEU 22 1HB LEU 22 -6.922 -6.699 -6.944 187 HG LEU 22 HG LEU 22 -6.599 -8.225 -8.854 188 HD11 LEU 22 1HD1 LEU 22 -4.310 -6.420 -9.702 189 HD12 LEU 22 2HD1 LEU 22 -5.840 -6.654 -10.555 190 HD13 LEU 22 3HD1 LEU 22 -4.709 -7.993 -10.401 191 HD21 LEU 22 1HD2 LEU 22 -5.327 -8.628 -6.769 192 HD22 LEU 22 2HD2 LEU 22 -3.968 -7.707 -7.423 193 HD23 LEU 22 3HD2 LEU 22 -4.470 -9.213 -8.195 194 H GLU 23 H GLU 23 -9.221 -6.426 -7.175 195 HA GLU 23 HA GLU 23 -10.318 -8.407 -8.824 196 HB2 GLU 23 2HB GLU 23 -11.560 -6.890 -6.505 197 HB3 GLU 23 1HB GLU 23 -12.222 -8.376 -7.186 198 HG2 GLU 23 2HG GLU 23 -10.251 -9.628 -6.512 199 HG3 GLU 23 1HG GLU 23 -9.453 -8.151 -5.967 200 H LEU 24 H LEU 24 -11.599 -5.184 -8.074 201 HA LEU 24 HA LEU 24 -13.959 -5.258 -9.560 202 HB2 LEU 24 2HB LEU 24 -12.284 -2.859 -8.711 203 HB3 LEU 24 1HB LEU 24 -13.936 -2.751 -9.306 204 HG LEU 24 HG LEU 24 -13.118 -4.246 -6.787 205 HD11 LEU 24 1HD1 LEU 24 -12.716 -1.848 -6.513 206 HD12 LEU 24 2HD1 LEU 24 -14.041 -2.406 -5.496 207 HD13 LEU 24 3HD1 LEU 24 -14.387 -1.502 -6.972 208 HD21 LEU 24 1HD2 LEU 24 -15.865 -3.571 -7.868 209 HD22 LEU 24 2HD2 LEU 24 -15.533 -4.295 -6.291 210 HD23 LEU 24 3HD2 LEU 24 -15.129 -5.173 -7.763 211 H ALA 25 H ALA 25 -10.710 -4.145 -10.483 212 HA ALA 25 HA ALA 25 -11.273 -3.107 -13.048 213 HB1 ALA 25 1HB ALA 25 -9.139 -2.757 -11.908 214 HB2 ALA 25 2HB ALA 25 -8.876 -3.474 -13.499 215 HB3 ALA 25 3HB ALA 25 -8.760 -4.470 -12.046 216 H GLN 26 H GLN 26 -10.302 -6.377 -12.000 217 HA GLN 26 HA GLN 26 -10.461 -7.537 -14.634 218 HB2 GLN 26 2HB GLN 26 -10.390 -8.892 -11.901 219 HB3 GLN 26 1HB GLN 26 -10.150 -9.705 -13.449 220 HG2 GLN 26 2HG GLN 26 -8.125 -8.359 -13.857 221 HG3 GLN 26 1HG GLN 26 -8.363 -7.516 -12.328 222 HE21 GLN 26 1HE2 GLN 26 -6.052 -9.011 -13.159 223 HE22 GLN 26 2HE2 GLN 26 -5.837 -10.300 -12.029 224 H ARG 27 H ARG 27 -12.860 -6.784 -12.251 225 HA ARG 27 HA ARG 27 -14.951 -8.465 -13.429 226 HB2 ARG 27 2HB ARG 27 -15.198 -6.198 -11.395 227 HB3 ARG 27 1HB ARG 27 -16.471 -7.338 -11.828 228 HG2 ARG 27 2HG ARG 27 -15.176 -9.188 -10.840 229 HG3 ARG 27 1HG ARG 27 -13.861 -8.078 -10.476 230 HD2 ARG 27 2HD ARG 27 -15.645 -6.772 -9.066 231 HD3 ARG 27 1HD ARG 27 -16.586 -8.262 -9.178 232 HE ARG 27 HE ARG 27 -14.301 -7.756 -7.533 233 HH11 ARG 27 1HH1 ARG 27 -15.986 -10.402 -9.142 234 HH12 ARG 27 2HH1 ARG 27 -15.365 -11.599 -8.049 235 HH21 ARG 27 1HH2 ARG 27 -13.532 -9.335 -6.119 236 HH22 ARG 27 2HH2 ARG 27 -13.987 -10.994 -6.352 237 H GLY 28 H GLY 28 -13.427 -5.693 -14.464 238 HA2 GLY 28 2HA GLY 28 -13.911 -4.376 -16.322 239 HA3 GLY 28 1HA GLY 28 -15.559 -4.976 -16.317 240 H GLU 29 H GLU 29 -14.872 -3.987 -13.259 241 HA GLU 29 HA GLU 29 -16.525 -1.608 -13.456 242 HB2 GLU 29 2HB GLU 29 -15.327 -2.962 -11.002 243 HB3 GLU 29 1HB GLU 29 -16.585 -1.732 -11.004 244 HG2 GLU 29 2HG GLU 29 -16.830 -4.523 -12.149 245 HG3 GLU 29 1HG GLU 29 -17.502 -3.975 -10.610 246 H TRP 30 H TRP 30 -14.656 -0.601 -14.732 247 HA TRP 30 HA TRP 30 -12.313 0.342 -13.410 248 HB2 TRP 30 2HB TRP 30 -13.688 1.574 -15.849 249 HB3 TRP 30 1HB TRP 30 -12.005 1.789 -15.368 250 HD1 TRP 30 HD1 TRP 30 -14.115 -0.310 -17.575 251 HE1 TRP 30 HE1 TRP 30 -12.795 -2.323 -18.470 252 HE3 TRP 30 HE3 TRP 30 -10.034 -0.069 -14.477 253 HZ2 TRP 30 HZ2 TRP 30 -10.367 -3.628 -17.954 254 HZ3 TRP 30 HZ3 TRP 30 -8.260 -1.754 -14.751 255 HH2 TRP 30 HH2 TRP 30 -8.426 -3.497 -16.452 256 H ASP 31 H ASP 31 -15.582 1.499 -13.693 257 HA ASP 31 HA ASP 31 -15.510 4.138 -12.877 258 HB2 ASP 31 2HB ASP 31 -17.555 2.003 -12.097 259 HB3 ASP 31 1HB ASP 31 -17.826 3.741 -11.996 260 H LEU 32 H LEU 32 -15.534 1.217 -10.885 261 HA LEU 32 HA LEU 32 -15.728 2.548 -8.364 262 HB2 LEU 32 2HB LEU 32 -14.908 -0.326 -8.968 263 HB3 LEU 32 1HB LEU 32 -15.364 0.298 -7.389 264 HG LEU 32 HG LEU 32 -17.183 -0.027 -9.808 265 HD11 LEU 32 1HD1 LEU 32 -17.249 -1.420 -7.118 266 HD12 LEU 32 2HD1 LEU 32 -16.712 -2.121 -8.646 267 HD13 LEU 32 3HD1 LEU 32 -18.397 -1.649 -8.444 268 HD21 LEU 32 1HD2 LEU 32 -17.819 2.018 -8.645 269 HD22 LEU 32 2HD2 LEU 32 -17.902 1.152 -7.109 270 HD23 LEU 32 3HD2 LEU 32 -19.034 0.763 -8.408 271 H LEU 33 H LEU 33 -13.052 1.527 -10.401 272 HA LEU 33 HA LEU 33 -10.951 1.941 -8.502 273 HB2 LEU 33 2HB LEU 33 -10.993 1.761 -11.531 274 HB3 LEU 33 1HB LEU 33 -9.545 2.327 -10.717 275 HG LEU 33 HG LEU 33 -9.498 0.161 -9.416 276 HD11 LEU 33 1HD1 LEU 33 -11.819 -0.514 -9.614 277 HD12 LEU 33 2HD1 LEU 33 -10.743 -1.767 -10.224 278 HD13 LEU 33 3HD1 LEU 33 -11.630 -0.741 -11.356 279 HD21 LEU 33 1HD2 LEU 33 -9.247 -0.074 -12.430 280 HD22 LEU 33 2HD2 LEU 33 -8.512 -1.151 -11.236 281 HD23 LEU 33 3HD2 LEU 33 -8.018 0.537 -11.317 282 H LEU 34 H LEU 34 -12.515 3.999 -10.928 283 HA LEU 34 HA LEU 34 -10.896 6.312 -10.619 284 HB2 LEU 34 2HB LEU 34 -13.798 6.113 -11.536 285 HB3 LEU 34 1HB LEU 34 -12.741 7.494 -11.802 286 HG LEU 34 HG LEU 34 -12.334 4.719 -12.983 287 HD11 LEU 34 1HD1 LEU 34 -13.296 7.236 -14.366 288 HD12 LEU 34 2HD1 LEU 34 -14.269 5.814 -13.979 289 HD13 LEU 34 3HD1 LEU 34 -12.949 5.684 -15.135 290 HD21 LEU 34 1HD2 LEU 34 -10.759 7.255 -13.499 291 HD22 LEU 34 2HD2 LEU 34 -10.558 5.714 -14.339 292 HD23 LEU 34 3HD2 LEU 34 -10.195 5.830 -12.621 293 H GLN 35 H GLN 35 -13.783 5.193 -8.924 294 HA GLN 35 HA GLN 35 -14.258 7.550 -7.366 295 HB2 GLN 35 2HB GLN 35 -15.101 4.654 -6.886 296 HB3 GLN 35 1HB GLN 35 -15.731 6.045 -6.001 297 HG2 GLN 35 2HG GLN 35 -16.691 6.957 -8.064 298 HG3 GLN 35 1HG GLN 35 -16.021 5.618 -8.991 299 HE21 GLN 35 1HE2 GLN 35 -18.799 6.422 -8.743 300 HE22 GLN 35 2HE2 GLN 35 -19.643 5.051 -8.114 301 H GLN 36 H GLN 36 -12.708 4.407 -6.631 302 HA GLN 36 HA GLN 36 -11.909 5.147 -3.968 303 HB2 GLN 36 2HB GLN 36 -11.170 2.731 -5.678 304 HB3 GLN 36 1HB GLN 36 -10.677 2.942 -4.002 305 HG2 GLN 36 2HG GLN 36 -13.522 2.693 -5.007 306 HG3 GLN 36 1HG GLN 36 -12.603 1.459 -4.144 307 HE21 GLN 36 1HE2 GLN 36 -15.147 2.768 -3.452 308 HE22 GLN 36 2HE2 GLN 36 -14.910 3.458 -1.885 309 H GLU 37 H GLU 37 -10.555 5.763 -7.021 310 HA GLU 37 HA GLU 37 -7.817 5.676 -6.713 311 HB2 GLU 37 2HB GLU 37 -8.970 6.259 -8.826 312 HB3 GLU 37 1HB GLU 37 -9.462 7.805 -8.144 313 HG2 GLU 37 2HG GLU 37 -7.005 8.398 -7.938 314 HG3 GLU 37 1HG GLU 37 -6.639 6.914 -8.818 315 H VAL 38 H VAL 38 -9.954 8.457 -5.931 316 HA VAL 38 HA VAL 38 -7.957 10.202 -4.964 317 HB VAL 38 HB VAL 38 -10.937 10.159 -4.245 318 HG11 VAL 38 1HG1 VAL 38 -10.669 12.559 -3.667 319 HG12 VAL 38 2HG1 VAL 38 -8.929 12.434 -3.936 320 HG13 VAL 38 3HG1 VAL 38 -9.684 11.526 -2.625 321 HG21 VAL 38 1HG2 VAL 38 -9.478 11.700 -6.432 322 HG22 VAL 38 2HG2 VAL 38 -11.193 11.844 -6.040 323 HG23 VAL 38 3HG2 VAL 38 -10.558 10.324 -6.672 324 H SER 39 H SER 39 -9.978 7.811 -3.317 325 HA SER 39 HA SER 39 -9.204 8.301 -0.647 326 HB2 SER 39 2HB SER 39 -10.138 5.686 -1.916 327 HB3 SER 39 1HB SER 39 -10.139 6.049 -0.188 328 HG SER 39 HG SER 39 -11.561 7.831 -0.721 329 H TYR 40 H TYR 40 -7.882 6.198 -3.155 330 HA TYR 40 HA TYR 40 -6.043 4.690 -1.615 331 HB2 TYR 40 2HB TYR 40 -6.938 3.954 -3.812 332 HB3 TYR 40 1HB TYR 40 -6.130 5.292 -4.609 333 HD1 TYR 40 HD1 TYR 40 -5.206 2.392 -2.366 334 HD2 TYR 40 HD2 TYR 40 -4.202 4.714 -5.814 335 HE1 TYR 40 HE1 TYR 40 -3.344 0.870 -2.856 336 HE2 TYR 40 HE2 TYR 40 -2.329 3.197 -6.297 337 HH TYR 40 HH TYR 40 -0.972 1.543 -5.293 338 H LEU 41 H LEU 41 -5.632 7.447 -3.810 339 HA LEU 41 HA LEU 41 -2.854 7.787 -3.553 340 HB2 LEU 41 2HB LEU 41 -4.941 9.866 -4.340 341 HB3 LEU 41 1HB LEU 41 -3.213 9.987 -4.636 342 HG LEU 41 HG LEU 41 -5.157 8.044 -5.932 343 HD11 LEU 41 1HD1 LEU 41 -5.278 10.300 -6.836 344 HD12 LEU 41 2HD1 LEU 41 -4.597 9.189 -8.020 345 HD13 LEU 41 3HD1 LEU 41 -3.538 10.300 -7.146 346 HD21 LEU 41 1HD2 LEU 41 -2.148 8.133 -6.302 347 HD22 LEU 41 2HD2 LEU 41 -3.279 7.183 -7.268 348 HD23 LEU 41 3HD2 LEU 41 -3.084 6.835 -5.554 349 H GLN 42 H GLN 42 -5.607 9.392 -1.901 350 HA GLN 42 HA GLN 42 -4.134 11.259 -0.390 351 HB2 GLN 42 2HB GLN 42 -6.601 11.390 -0.667 352 HB3 GLN 42 1HB GLN 42 -6.802 9.937 0.310 353 HG2 GLN 42 2HG GLN 42 -5.800 11.149 2.252 354 HG3 GLN 42 1HG GLN 42 -5.711 12.611 1.270 355 HE21 GLN 42 1HE2 GLN 42 -7.149 12.145 3.766 356 HE22 GLN 42 2HE2 GLN 42 -8.814 12.477 3.441 357 H SER 43 H SER 43 -5.249 7.959 0.454 358 HA SER 43 HA SER 43 -4.367 7.835 3.106 359 HB2 SER 43 2HB SER 43 -4.623 5.573 1.079 360 HB3 SER 43 1HB SER 43 -4.455 5.348 2.822 361 HG SER 43 HG SER 43 -6.403 6.773 2.913 362 H ILE 44 H ILE 44 -2.704 6.734 0.145 363 HA ILE 44 HA ILE 44 -0.414 5.754 1.529 364 HB ILE 44 HB ILE 44 -1.166 4.800 -0.596 365 HG12 ILE 44 2HG1 ILE 44 1.658 5.897 -0.966 366 HG13 ILE 44 1HG1 ILE 44 1.255 4.612 0.171 367 HG21 ILE 44 1HG2 ILE 44 -1.890 6.838 -1.744 368 HG22 ILE 44 2HG2 ILE 44 -0.792 5.894 -2.750 369 HG23 ILE 44 3HG2 ILE 44 -0.212 7.349 -1.932 370 HD11 ILE 44 1HD1 ILE 44 0.801 4.478 -2.804 371 HD12 ILE 44 2HD1 ILE 44 0.499 3.196 -1.626 372 HD13 ILE 44 3HD1 ILE 44 2.142 3.751 -1.922 373 H GLU 45 H GLU 45 -1.154 8.871 0.006 374 HA GLU 45 HA GLU 45 1.386 10.088 0.246 375 HB2 GLU 45 2HB GLU 45 -1.448 11.180 0.259 376 HB3 GLU 45 1HB GLU 45 -0.088 12.257 0.550 377 HG2 GLU 45 2HG GLU 45 -0.328 10.522 -1.920 378 HG3 GLU 45 1HG GLU 45 -0.942 12.170 -1.824 379 H THR 46 H THR 46 -1.345 9.863 2.541 380 HA THR 46 HA THR 46 -0.218 11.320 4.671 381 HB THR 46 HB THR 46 -2.258 9.057 4.944 382 HG1 THR 46 HG1 THR 46 -3.425 10.333 3.716 383 HG21 THR 46 1HG2 THR 46 -3.099 10.347 6.882 384 HG22 THR 46 2HG2 THR 46 -1.831 11.551 6.646 385 HG23 THR 46 3HG2 THR 46 -1.402 9.909 7.125 386 H VAL 47 H VAL 47 0.198 7.947 3.685 387 HA VAL 47 HA VAL 47 1.596 7.101 6.060 388 HB VAL 47 HB VAL 47 1.816 5.831 3.288 389 HG11 VAL 47 1HG1 VAL 47 3.492 5.015 4.898 390 HG12 VAL 47 2HG1 VAL 47 2.307 3.761 4.546 391 HG13 VAL 47 3HG1 VAL 47 2.220 4.648 6.070 392 HG21 VAL 47 1HG2 VAL 47 -0.292 5.417 5.423 393 HG22 VAL 47 2HG2 VAL 47 -0.045 4.332 4.059 394 HG23 VAL 47 3HG2 VAL 47 -0.525 6.001 3.778 395 H MET 48 H MET 48 2.711 8.136 2.795 396 HA MET 48 HA MET 48 5.491 7.643 3.364 397 HB2 MET 48 2HB MET 48 4.178 9.057 1.009 398 HB3 MET 48 1HB MET 48 5.904 8.730 1.116 399 HG2 MET 48 2HG MET 48 5.384 6.288 1.249 400 HG3 MET 48 1HG MET 48 3.682 6.677 0.985 401 HE1 MET 48 1HE MET 48 3.829 9.070 -1.124 402 HE2 MET 48 2HE MET 48 2.725 7.698 -1.294 403 HE3 MET 48 3HE MET 48 3.756 8.181 -2.645 404 H GLU 49 H GLU 49 3.448 10.414 3.794 405 HA GLU 49 HA GLU 49 5.660 12.294 4.121 406 HB2 GLU 49 2HB GLU 49 3.969 13.950 4.643 407 HB3 GLU 49 1HB GLU 49 3.436 13.035 3.236 408 HG2 GLU 49 2HG GLU 49 1.942 11.695 4.695 409 HG3 GLU 49 1HG GLU 49 2.472 12.645 6.079 410 H LYS 50 H LYS 50 4.249 9.886 6.012 411 HA LYS 50 HA LYS 50 4.740 11.167 8.612 412 HB2 LYS 50 2HB LYS 50 3.018 8.897 7.683 413 HB3 LYS 50 1HB LYS 50 3.800 8.634 9.235 414 HG2 LYS 50 2HG LYS 50 1.474 9.606 9.352 415 HG3 LYS 50 1HG LYS 50 2.707 10.505 10.241 416 HD2 LYS 50 2HD LYS 50 2.847 12.133 8.376 417 HD3 LYS 50 1HD LYS 50 1.607 11.239 7.496 418 HE2 LYS 50 2HE LYS 50 -0.031 11.764 9.242 419 HE3 LYS 50 1HE LYS 50 1.216 12.580 10.192 420 HZ1 LYS 50 1HZ LYS 50 0.235 13.402 7.512 421 HZ2 LYS 50 2HZ LYS 50 1.491 14.158 8.349 422 HZ3 LYS 50 3HZ LYS 50 -0.081 14.190 8.976 423 H GLN 51 H GLN 51 5.926 10.092 10.237 424 HA GLN 51 HA GLN 51 8.428 8.955 9.267 425 HB2 GLN 51 2HB GLN 51 8.485 10.824 10.866 426 HB3 GLN 51 1HB GLN 51 7.508 9.924 12.019 427 HG2 GLN 51 2HG GLN 51 9.349 8.313 12.327 428 HG3 GLN 51 1HG GLN 51 10.327 9.190 11.155 429 HE21 GLN 51 1HE2 GLN 51 9.607 11.854 12.097 430 HE22 GLN 51 2HE2 GLN 51 10.380 12.059 13.625 431 H THR 52 H THR 52 9.173 6.928 9.742 432 HA THR 52 HA THR 52 7.421 4.791 10.447 433 HB THR 52 HB THR 52 10.466 4.903 10.183 434 HG1 THR 52 HG1 THR 52 9.000 5.275 8.300 435 HG21 THR 52 1HG2 THR 52 10.458 2.454 9.997 436 HG22 THR 52 2HG2 THR 52 8.715 2.414 10.267 437 HG23 THR 52 3HG2 THR 52 9.796 2.934 11.562 438 HA PRO 53 HA PRO 53 7.979 5.092 15.013 439 HB2 PRO 53 2HB PRO 53 6.823 2.309 15.002 440 HB3 PRO 53 1HB PRO 53 6.254 3.766 15.848 441 HG2 PRO 53 2HG PRO 53 4.921 2.827 13.747 442 HG3 PRO 53 1HG PRO 53 5.110 4.582 13.983 443 HD2 PRO 53 2HD PRO 53 6.653 2.751 12.136 444 HD3 PRO 53 1HD PRO 53 5.951 4.357 11.812 445 HA PRO 54 HA PRO 54 11.749 2.628 15.610 446 HB2 PRO 54 2HB PRO 54 11.308 2.915 18.557 447 HB3 PRO 54 1HB PRO 54 12.634 3.532 17.548 448 HG2 PRO 54 2HG PRO 54 10.807 5.195 18.582 449 HG3 PRO 54 1HG PRO 54 11.482 5.472 16.958 450 HD2 PRO 54 2HD PRO 54 8.837 4.206 17.710 451 HD3 PRO 54 1HD PRO 54 9.184 5.454 16.486 452 H GLY 55 H GLY 55 8.981 1.907 17.760 453 HA2 GLY 55 2HA GLY 55 9.920 -0.751 18.449 454 HA3 GLY 55 1HA GLY 55 8.470 0.047 19.025 455 H ILE 56 H ILE 56 9.493 -0.717 15.701 456 HA ILE 56 HA ILE 56 7.050 -2.181 15.104 457 HB ILE 56 HB ILE 56 9.556 -1.526 13.487 458 HG12 ILE 56 2HG1 ILE 56 6.652 -0.619 13.246 459 HG13 ILE 56 1HG1 ILE 56 8.014 0.351 13.794 460 HG21 ILE 56 1HG2 ILE 56 8.556 -2.561 11.488 461 HG22 ILE 56 2HG2 ILE 56 7.206 -3.155 12.453 462 HG23 ILE 56 3HG2 ILE 56 8.833 -3.762 12.750 463 HD11 ILE 56 1HD1 ILE 56 8.999 0.168 11.533 464 HD12 ILE 56 2HD1 ILE 56 7.437 0.982 11.579 465 HD13 ILE 56 3HD1 ILE 56 7.538 -0.681 11.004 466 H THR 57 H THR 57 6.871 -4.166 15.970 467 HA THR 57 HA THR 57 9.101 -5.823 16.737 468 HB THR 57 HB THR 57 7.387 -7.445 17.482 469 HG1 THR 57 HG1 THR 57 5.137 -6.863 17.145 470 HG21 THR 57 1HG2 THR 57 6.138 -6.056 19.103 471 HG22 THR 57 2HG2 THR 57 6.575 -4.600 18.206 472 HG23 THR 57 3HG2 THR 57 7.826 -5.553 19.011 473 H ARG 58 H ARG 58 8.762 -8.300 16.112 474 HA ARG 58 HA ARG 58 9.366 -8.718 13.407 475 HB2 ARG 58 2HB ARG 58 9.914 -10.280 15.335 476 HB3 ARG 58 1HB ARG 58 8.223 -10.755 15.381 477 HG2 ARG 58 2HG ARG 58 9.516 -12.448 14.217 478 HG3 ARG 58 1HG ARG 58 8.429 -11.661 13.070 479 HD2 ARG 58 2HD ARG 58 10.312 -10.280 12.243 480 HD3 ARG 58 1HD ARG 58 11.394 -11.065 13.399 481 HE ARG 58 HE ARG 58 11.411 -12.977 12.091 482 HH11 ARG 58 1HH1 ARG 58 9.080 -10.698 10.752 483 HH12 ARG 58 2HH1 ARG 58 8.902 -11.573 9.267 484 HH21 ARG 58 1HH2 ARG 58 11.128 -14.131 10.153 485 HH22 ARG 58 2HH2 ARG 58 10.065 -13.515 8.930 486 H SER 59 H SER 59 6.343 -9.249 15.229 487 HA SER 59 HA SER 59 4.663 -10.221 13.220 488 HB2 SER 59 2HB SER 59 3.866 -8.490 15.603 489 HB3 SER 59 1HB SER 59 2.839 -9.648 14.752 490 HG SER 59 HG SER 59 3.954 -10.283 16.831 491 H ILE 60 H ILE 60 5.255 -6.901 14.316 492 HA ILE 60 HA ILE 60 3.389 -5.591 12.623 493 HB ILE 60 HB ILE 60 5.848 -4.489 14.065 494 HG12 ILE 60 2HG1 ILE 60 2.881 -4.315 14.790 495 HG13 ILE 60 1HG1 ILE 60 4.038 -5.408 15.538 496 HG21 ILE 60 1HG2 ILE 60 3.627 -2.910 12.710 497 HG22 ILE 60 2HG2 ILE 60 5.311 -2.989 12.192 498 HG23 ILE 60 3HG2 ILE 60 4.896 -2.223 13.725 499 HD11 ILE 60 1HD1 ILE 60 5.271 -3.491 16.430 500 HD12 ILE 60 2HD1 ILE 60 3.590 -3.506 16.958 501 HD13 ILE 60 3HD1 ILE 60 4.103 -2.394 15.689 502 H GLN 61 H GLN 61 6.832 -6.406 12.258 503 HA GLN 61 HA GLN 61 7.332 -5.030 9.828 504 HB2 GLN 61 2HB GLN 61 9.146 -5.927 11.291 505 HB3 GLN 61 1HB GLN 61 8.654 -7.573 10.901 506 HG2 GLN 61 2HG GLN 61 9.169 -7.034 8.468 507 HG3 GLN 61 1HG GLN 61 9.868 -5.515 9.034 508 HE21 GLN 61 1HE2 GLN 61 11.931 -6.058 8.276 509 HE22 GLN 61 2HE2 GLN 61 12.914 -7.268 9.019 510 H ASP 62 H ASP 62 6.142 -8.319 10.535 511 HA ASP 62 HA ASP 62 6.080 -9.358 7.919 512 HB2 ASP 62 2HB ASP 62 4.396 -10.020 10.369 513 HB3 ASP 62 1HB ASP 62 4.222 -10.903 8.858 514 H MET 63 H MET 63 3.525 -7.731 9.814 515 HA MET 63 HA MET 63 1.511 -7.834 7.824 516 HB2 MET 63 2HB MET 63 1.804 -5.914 10.183 517 HB3 MET 63 1HB MET 63 0.367 -6.033 9.172 518 HG2 MET 63 2HG MET 63 0.075 -8.380 9.859 519 HG3 MET 63 1HG MET 63 1.502 -8.251 10.887 520 HE1 MET 63 1HE MET 63 1.633 -6.683 13.057 521 HE2 MET 63 2HE MET 63 0.296 -5.684 13.622 522 HE3 MET 63 3HE MET 63 1.143 -5.256 12.137 523 H VAL 64 H VAL 64 3.572 -5.065 8.823 524 HA VAL 64 HA VAL 64 2.704 -3.186 6.965 525 HB VAL 64 HB VAL 64 5.404 -3.418 8.387 526 HG11 VAL 64 1HG1 VAL 64 4.392 -1.045 6.765 527 HG12 VAL 64 2HG1 VAL 64 5.774 -2.066 6.372 528 HG13 VAL 64 3HG1 VAL 64 5.820 -1.038 7.803 529 HG21 VAL 64 1HG2 VAL 64 4.494 -1.641 9.860 530 HG22 VAL 64 2HG2 VAL 64 3.452 -3.064 9.861 531 HG23 VAL 64 3HG2 VAL 64 2.988 -1.638 8.933 532 H ALA 65 H ALA 65 5.694 -5.237 6.673 533 HA ALA 65 HA ALA 65 6.343 -4.344 4.058 534 HB1 ALA 65 1HB ALA 65 7.979 -6.148 3.946 535 HB2 ALA 65 2HB ALA 65 7.213 -6.969 5.319 536 HB3 ALA 65 3HB ALA 65 8.015 -5.416 5.552 537 H GLY 66 H GLY 66 4.516 -7.201 5.191 538 HA2 GLY 66 2HA GLY 66 4.098 -8.523 2.740 539 HA3 GLY 66 1HA GLY 66 3.017 -8.595 4.127 540 H TYR 67 H TYR 67 2.343 -5.850 4.242 541 HA TYR 67 HA TYR 67 0.255 -5.665 2.300 542 HB2 TYR 67 2HB TYR 67 1.244 -3.707 4.409 543 HB3 TYR 67 1HB TYR 67 -0.129 -3.362 3.359 544 HD1 TYR 67 HD1 TYR 67 -1.046 -6.468 3.492 545 HD2 TYR 67 HD2 TYR 67 -0.213 -3.420 6.367 546 HE1 TYR 67 HE1 TYR 67 -2.590 -7.536 5.073 547 HE2 TYR 67 HE2 TYR 67 -1.759 -4.480 7.922 548 HH TYR 67 HH TYR 67 -2.959 -7.634 7.484 549 H ILE 68 H ILE 68 3.394 -4.047 2.723 550 HA ILE 68 HA ILE 68 3.202 -2.111 0.702 551 HB ILE 68 HB ILE 68 5.737 -3.610 1.560 552 HG12 ILE 68 2HG1 ILE 68 4.667 -0.915 2.522 553 HG13 ILE 68 1HG1 ILE 68 4.635 -2.404 3.444 554 HG21 ILE 68 1HG2 ILE 68 6.048 -2.520 -0.625 555 HG22 ILE 68 2HG2 ILE 68 6.990 -1.694 0.612 556 HG23 ILE 68 3HG2 ILE 68 5.481 -0.984 0.035 557 HD11 ILE 68 1HD1 ILE 68 7.087 -2.424 3.487 558 HD12 ILE 68 2HD1 ILE 68 6.409 -0.964 4.207 559 HD13 ILE 68 3HD1 ILE 68 7.104 -0.905 2.586 560 H LYS 69 H LYS 69 4.563 -5.429 0.554 561 HA LYS 69 HA LYS 69 5.088 -5.534 -2.208 562 HB2 LYS 69 2HB LYS 69 6.020 -7.175 -0.594 563 HB3 LYS 69 1HB LYS 69 4.417 -7.842 -0.319 564 HG2 LYS 69 2HG LYS 69 5.657 -9.300 -1.814 565 HG3 LYS 69 1HG LYS 69 4.325 -8.558 -2.699 566 HD2 LYS 69 2HD LYS 69 5.950 -6.884 -3.641 567 HD3 LYS 69 1HD LYS 69 7.260 -7.748 -2.834 568 HE2 LYS 69 2HE LYS 69 5.448 -8.844 -5.016 569 HE3 LYS 69 1HE LYS 69 7.149 -8.411 -5.181 570 HZ1 LYS 69 1HZ LYS 69 7.663 -10.153 -3.527 571 HZ2 LYS 69 2HZ LYS 69 6.961 -10.763 -4.939 572 HZ3 LYS 69 3HZ LYS 69 6.037 -10.616 -3.535 573 H GLN 70 H GLN 70 2.172 -6.326 -0.324 574 HA GLN 70 HA GLN 70 0.675 -7.570 -2.346 575 HB2 GLN 70 2HB GLN 70 0.010 -7.663 0.019 576 HB3 GLN 70 1HB GLN 70 -0.326 -5.934 0.026 577 HG2 GLN 70 2HG GLN 70 -2.197 -6.241 -1.503 578 HG3 GLN 70 1HG GLN 70 -1.794 -7.946 -1.710 579 HE21 GLN 70 1HE2 GLN 70 -3.879 -8.557 -1.039 580 HE22 GLN 70 2HE2 GLN 70 -4.382 -8.480 0.614 581 H THR 71 H THR 71 0.898 -4.073 -1.465 582 HA THR 71 HA THR 71 -1.039 -3.355 -3.493 583 HB THR 71 HB THR 71 -1.183 -1.938 -1.620 584 HG1 THR 71 HG1 THR 71 -1.219 -0.833 -3.684 585 HG21 THR 71 1HG2 THR 71 0.997 -2.282 -0.561 586 HG22 THR 71 2HG2 THR 71 0.616 -0.571 -0.681 587 HG23 THR 71 3HG2 THR 71 1.775 -1.296 -1.802 588 H LEU 72 H LEU 72 2.469 -3.570 -3.337 589 HA LEU 72 HA LEU 72 3.010 -2.064 -5.705 590 HB2 LEU 72 2HB LEU 72 4.673 -4.274 -4.422 591 HB3 LEU 72 1HB LEU 72 5.224 -3.244 -5.734 592 HG LEU 72 HG LEU 72 4.681 -2.459 -2.860 593 HD11 LEU 72 1HD1 LEU 72 6.877 -3.437 -3.274 594 HD12 LEU 72 2HD1 LEU 72 7.010 -1.736 -2.841 595 HD13 LEU 72 3HD1 LEU 72 7.198 -2.232 -4.525 596 HD21 LEU 72 1HD2 LEU 72 3.679 -0.716 -4.166 597 HD22 LEU 72 2HD2 LEU 72 5.120 -0.575 -5.182 598 HD23 LEU 72 3HD2 LEU 72 5.191 -0.126 -3.482 599 H ASP 73 H ASP 73 2.323 -5.469 -5.071 600 HA ASP 73 HA ASP 73 2.884 -6.378 -7.756 601 HB2 ASP 73 2HB ASP 73 3.211 -7.824 -5.682 602 HB3 ASP 73 1HB ASP 73 1.459 -7.912 -5.524 603 H ASN 74 H ASN 74 -0.049 -5.765 -5.800 604 HA ASN 74 HA ASN 74 -1.970 -6.542 -7.734 605 HB2 ASN 74 2HB ASN 74 -2.182 -4.617 -5.375 606 HB3 ASN 74 1HB ASN 74 -3.554 -4.995 -6.419 607 HD21 ASN 74 1HD2 ASN 74 -4.759 -6.007 -4.898 608 HD22 ASN 74 2HD2 ASN 74 -4.335 -7.505 -4.148 609 H GLU 75 H GLU 75 -0.516 -3.335 -6.967 610 HA GLU 75 HA GLU 75 -1.855 -1.940 -9.050 611 HB2 GLU 75 2HB GLU 75 -0.697 -0.753 -7.160 612 HB3 GLU 75 1HB GLU 75 0.859 -1.224 -7.842 613 HG2 GLU 75 2HG GLU 75 0.093 -0.023 -9.996 614 HG3 GLU 75 1HG GLU 75 -1.212 0.646 -9.031 615 H GLN 76 H GLN 76 1.191 -3.776 -8.962 616 HA GLN 76 HA GLN 76 2.324 -3.113 -11.438 617 HB2 GLN 76 2HB GLN 76 3.425 -4.467 -9.646 618 HB3 GLN 76 1HB GLN 76 2.353 -5.808 -10.002 619 HG2 GLN 76 2HG GLN 76 3.382 -5.916 -12.297 620 HG3 GLN 76 1HG GLN 76 4.540 -4.691 -11.771 621 HE21 GLN 76 1HE2 GLN 76 3.284 -7.378 -9.777 622 HE22 GLN 76 2HE2 GLN 76 4.791 -8.200 -9.621 623 H LEU 77 H LEU 77 -0.050 -5.603 -10.604 624 HA LEU 77 HA LEU 77 -0.371 -6.772 -13.183 625 HB2 LEU 77 2HB LEU 77 -2.215 -6.768 -10.758 626 HB3 LEU 77 1HB LEU 77 -2.441 -7.797 -12.163 627 HG LEU 77 HG LEU 77 -0.069 -7.911 -10.257 628 HD11 LEU 77 1HD1 LEU 77 -2.104 -8.716 -9.179 629 HD12 LEU 77 2HD1 LEU 77 -0.976 -10.036 -9.468 630 HD13 LEU 77 3HD1 LEU 77 -2.392 -9.846 -10.507 631 HD21 LEU 77 1HD2 LEU 77 -0.707 -9.704 -12.619 632 HD22 LEU 77 2HD2 LEU 77 0.588 -9.957 -11.446 633 HD23 LEU 77 3HD2 LEU 77 0.623 -8.547 -12.498 634 H LEU 78 H LEU 78 -2.283 -4.366 -11.376 635 HA LEU 78 HA LEU 78 -4.330 -3.846 -13.229 636 HB2 LEU 78 2HB LEU 78 -3.044 -2.117 -11.082 637 HB3 LEU 78 1HB LEU 78 -4.436 -1.566 -12.006 638 HG LEU 78 HG LEU 78 -4.383 -4.016 -10.220 639 HD11 LEU 78 1HD1 LEU 78 -5.724 -1.327 -9.791 640 HD12 LEU 78 2HD1 LEU 78 -4.302 -1.931 -8.933 641 HD13 LEU 78 3HD1 LEU 78 -5.853 -2.744 -8.743 642 HD21 LEU 78 1HD2 LEU 78 -6.832 -4.028 -10.667 643 HD22 LEU 78 2HD2 LEU 78 -5.851 -4.389 -12.076 644 HD23 LEU 78 3HD2 LEU 78 -6.587 -2.793 -11.899 645 H LYS 79 H LYS 79 -1.345 -2.118 -12.697 646 HA LYS 79 HA LYS 79 -1.686 -0.064 -14.607 647 HB2 LYS 79 2HB LYS 79 -0.392 0.146 -12.549 648 HB3 LYS 79 1HB LYS 79 0.706 -1.133 -13.044 649 HG2 LYS 79 2HG LYS 79 1.704 0.263 -14.711 650 HG3 LYS 79 1HG LYS 79 0.467 1.508 -14.506 651 HD2 LYS 79 2HD LYS 79 2.406 0.648 -12.319 652 HD3 LYS 79 1HD LYS 79 2.645 2.040 -13.373 653 HE2 LYS 79 2HE LYS 79 0.577 3.065 -12.511 654 HE3 LYS 79 1HE LYS 79 0.319 1.668 -11.458 655 HZ1 LYS 79 1HZ LYS 79 2.442 2.189 -10.361 656 HZ2 LYS 79 2HZ LYS 79 1.328 3.454 -10.232 657 HZ3 LYS 79 3HZ LYS 79 2.603 3.566 -11.335 658 H GLY 80 H GLY 80 -0.121 -3.241 -14.627 659 HA2 GLY 80 2HA GLY 80 0.972 -3.115 -17.260 660 HA3 GLY 80 1HA GLY 80 0.609 -4.573 -16.350 661 H LEU 81 H LEU 81 -2.191 -4.101 -15.974 662 HA LEU 81 HA LEU 81 -3.308 -5.268 -18.312 663 HB2 LEU 81 2HB LEU 81 -4.111 -5.371 -15.832 664 HB3 LEU 81 1HB LEU 81 -4.897 -3.837 -16.124 665 HG LEU 81 HG LEU 81 -5.571 -6.478 -17.509 666 HD11 LEU 81 1HD1 LEU 81 -6.217 -6.512 -15.159 667 HD12 LEU 81 2HD1 LEU 81 -7.643 -6.447 -16.186 668 HD13 LEU 81 3HD1 LEU 81 -7.102 -4.992 -15.342 669 HD21 LEU 81 1HD2 LEU 81 -7.020 -3.823 -17.757 670 HD22 LEU 81 2HD2 LEU 81 -7.564 -5.368 -18.420 671 HD23 LEU 81 3HD2 LEU 81 -6.082 -4.628 -19.017 672 H LEU 82 H LEU 82 -3.717 -2.048 -16.867 673 HA LEU 82 HA LEU 82 -5.235 -0.781 -18.850 674 HB2 LEU 82 2HB LEU 82 -3.251 0.380 -16.846 675 HB3 LEU 82 1HB LEU 82 -4.406 1.335 -17.757 676 HG LEU 82 HG LEU 82 -5.200 -0.795 -15.730 677 HD11 LEU 82 1HD1 LEU 82 -5.723 1.046 -14.181 678 HD12 LEU 82 2HD1 LEU 82 -5.059 2.216 -15.328 679 HD13 LEU 82 3HD1 LEU 82 -4.007 1.011 -14.585 680 HD21 LEU 82 1HD2 LEU 82 -6.833 1.344 -17.124 681 HD22 LEU 82 2HD2 LEU 82 -7.406 0.296 -15.822 682 HD23 LEU 82 3HD2 LEU 82 -6.934 -0.404 -17.367 683 H GLN 83 H GLN 83 -1.742 -0.779 -18.199 684 HA GLN 83 HA GLN 83 0.108 -0.692 -19.474 685 HB2 GLN 83 2HB GLN 83 -1.305 -2.422 -20.792 686 HB3 GLN 83 1HB GLN 83 -1.658 -1.132 -21.933 687 HG2 GLN 83 2HG GLN 83 0.798 -0.924 -22.383 688 HG3 GLN 83 1HG GLN 83 1.083 -2.281 -21.297 689 HE21 GLN 83 1HE2 GLN 83 -1.283 -3.814 -22.229 690 HE22 GLN 83 2HE2 GLN 83 -0.874 -4.394 -23.803 691 H GLN 84 H GLN 84 -1.472 1.764 -18.943 692 HA GLN 84 HA GLN 84 -1.132 3.463 -21.296 693 HB2 GLN 84 2HB GLN 84 -2.065 4.189 -18.488 694 HB3 GLN 84 1HB GLN 84 -2.098 5.266 -19.885 695 HG2 GLN 84 2HG GLN 84 -3.707 3.803 -21.012 696 HG3 GLN 84 1HG GLN 84 -3.632 2.653 -19.679 697 HE21 GLN 84 1HE2 GLN 84 -3.678 4.632 -17.555 698 HE22 GLN 84 2HE2 GLN 84 -5.281 5.278 -17.522 699 H ARG 85 H ARG 85 -0.103 4.113 -17.913 700 HA ARG 85 HA ARG 85 2.691 4.305 -18.394 701 HB2 ARG 85 2HB ARG 85 2.033 6.274 -19.757 702 HB3 ARG 85 1HB ARG 85 1.213 6.987 -18.372 703 HG2 ARG 85 2HG ARG 85 3.267 7.481 -17.264 704 HG3 ARG 85 1HG ARG 85 4.183 6.357 -18.271 705 HD2 ARG 85 2HD ARG 85 2.931 8.954 -19.238 706 HD3 ARG 85 1HD ARG 85 4.644 8.704 -18.869 707 HE ARG 85 HE ARG 85 3.781 6.768 -20.742 708 HH11 ARG 85 1HH1 ARG 85 4.558 10.207 -20.641 709 HH12 ARG 85 2HH1 ARG 85 4.986 10.265 -22.329 710 HH21 ARG 85 1HH2 ARG 85 4.321 6.881 -22.927 711 HH22 ARG 85 2HH2 ARG 85 4.849 8.396 -23.608 712 H LEU 86 H LEU 86 3.839 4.768 -16.420 713 HA LEU 86 HA LEU 86 2.751 3.552 -14.228 714 HB2 LEU 86 2HB LEU 86 5.063 5.520 -14.272 715 HB3 LEU 86 1HB LEU 86 4.688 4.503 -12.893 716 HG LEU 86 HG LEU 86 5.691 3.567 -15.616 717 HD11 LEU 86 1HD1 LEU 86 7.015 3.512 -12.876 718 HD12 LEU 86 2HD1 LEU 86 7.421 4.598 -14.208 719 HD13 LEU 86 3HD1 LEU 86 7.699 2.868 -14.374 720 HD21 LEU 86 1HD2 LEU 86 4.983 1.872 -13.195 721 HD22 LEU 86 2HD2 LEU 86 5.770 1.297 -14.672 722 HD23 LEU 86 3HD2 LEU 86 4.119 1.905 -14.737 723 H ASP 87 H ASP 87 2.341 6.943 -14.953 724 HA ASP 87 HA ASP 87 1.878 7.861 -12.250 725 HB2 ASP 87 2HB ASP 87 1.403 9.188 -14.953 726 HB3 ASP 87 1HB ASP 87 1.223 9.999 -13.399 727 H GLU 88 H GLU 88 -0.064 6.195 -14.425 728 HA GLU 88 HA GLU 88 -2.577 7.401 -14.311 729 HB2 GLU 88 2HB GLU 88 -3.444 5.184 -15.057 730 HB3 GLU 88 1HB GLU 88 -2.034 5.714 -15.961 731 HG2 GLU 88 2HG GLU 88 -0.669 4.202 -14.341 732 HG3 GLU 88 1HG GLU 88 -2.227 3.493 -13.918 733 H LEU 89 H LEU 89 -1.152 5.012 -12.108 734 HA LEU 89 HA LEU 89 -3.483 5.242 -10.273 735 HB2 LEU 89 2HB LEU 89 -1.498 2.949 -10.543 736 HB3 LEU 89 1HB LEU 89 -2.852 2.997 -9.425 737 HG LEU 89 HG LEU 89 -3.096 2.932 -12.461 738 HD11 LEU 89 1HD1 LEU 89 -3.540 0.685 -10.480 739 HD12 LEU 89 2HD1 LEU 89 -2.206 0.828 -11.630 740 HD13 LEU 89 3HD1 LEU 89 -3.856 0.623 -12.219 741 HD21 LEU 89 1HD2 LEU 89 -5.005 4.081 -11.453 742 HD22 LEU 89 2HD2 LEU 89 -5.283 2.722 -10.363 743 HD23 LEU 89 3HD2 LEU 89 -5.496 2.516 -12.106 744 H SER 90 H SER 90 -0.788 6.777 -10.619 745 HA SER 90 HA SER 90 -0.017 6.771 -7.766 746 HB2 SER 90 2HB SER 90 1.978 6.795 -10.083 747 HB3 SER 90 1HB SER 90 2.372 6.912 -8.365 748 HG SER 90 HG SER 90 0.947 4.759 -8.496 749 H SER 91 H SER 91 1.654 8.704 -10.258 750 HA SER 91 HA SER 91 1.994 10.936 -10.463 751 HB2 SER 91 2HB SER 91 -0.246 10.693 -11.548 752 HB3 SER 91 1HB SER 91 -1.036 11.075 -10.016 753 HG SER 91 HG SER 91 -0.042 13.148 -10.115 754 H LEU 92 H LEU 92 2.450 9.985 -7.789 755 HA LEU 92 HA LEU 92 0.987 11.624 -5.893 756 HB2 LEU 92 2HB LEU 92 3.062 9.448 -5.519 757 HB3 LEU 92 1HB LEU 92 2.334 10.320 -4.176 758 HG LEU 92 HG LEU 92 0.863 8.546 -6.166 759 HD11 LEU 92 1HD1 LEU 92 0.493 7.061 -4.297 760 HD12 LEU 92 2HD1 LEU 92 1.360 8.148 -3.208 761 HD13 LEU 92 3HD1 LEU 92 2.218 7.335 -4.517 762 HD21 LEU 92 1HD2 LEU 92 -0.577 10.409 -5.542 763 HD22 LEU 92 2HD2 LEU 92 -0.267 10.125 -3.828 764 HD23 LEU 92 3HD2 LEU 92 -1.141 8.925 -4.782 765 H ILE 93 H ILE 93 4.505 10.958 -5.707 766 HA ILE 93 HA ILE 93 4.957 13.640 -4.659 767 HB ILE 93 HB ILE 93 7.021 11.430 -5.128 768 HG12 ILE 93 2HG1 ILE 93 5.424 11.998 -2.583 769 HG13 ILE 93 1HG1 ILE 93 5.199 10.611 -3.638 770 HG21 ILE 93 1HG2 ILE 93 8.379 12.635 -3.440 771 HG22 ILE 93 2HG2 ILE 93 7.135 13.881 -3.329 772 HG23 ILE 93 3HG2 ILE 93 8.024 13.655 -4.836 773 HD11 ILE 93 1HD1 ILE 93 7.436 9.811 -3.074 774 HD12 ILE 93 2HD1 ILE 93 6.427 10.010 -1.643 775 HD13 ILE 93 3HD1 ILE 93 7.671 11.203 -2.014 776 H GLY 94 H GLY 94 4.317 14.715 -6.601 777 HA2 GLY 94 2HA GLY 94 4.676 15.850 -8.568 778 HA3 GLY 94 1HA GLY 94 6.306 15.192 -8.630 779 H GLN 95 H GLN 95 6.489 12.892 -9.234 780 HA GLN 95 HA GLN 95 4.660 12.198 -11.457 781 HB2 GLN 95 2HB GLN 95 7.566 11.375 -10.941 782 HB3 GLN 95 1HB GLN 95 6.609 10.921 -12.349 783 HG2 GLN 95 2HG GLN 95 6.427 13.375 -12.920 784 HG3 GLN 95 1HG GLN 95 7.556 13.701 -11.605 785 HE21 GLN 95 1HE2 GLN 95 7.861 14.218 -14.466 786 HE22 GLN 95 2HE2 GLN 95 9.294 13.387 -14.956 787 H SER 96 H SER 96 5.519 9.551 -11.774 788 HA SER 96 HA SER 96 4.028 8.060 -9.828 789 HB2 SER 96 2HB SER 96 4.785 6.126 -11.331 790 HB3 SER 96 1HB SER 96 3.892 7.416 -12.131 791 HG SER 96 HG SER 96 5.590 7.897 -13.276 792 H THR 97 H THR 97 6.136 9.256 -8.482 793 HA THR 97 HA THR 97 8.425 7.749 -7.998 794 HB THR 97 HB THR 97 6.898 9.604 -6.096 795 HG1 THR 97 HG1 THR 97 8.119 11.247 -7.053 796 HG21 THR 97 1HG2 THR 97 9.860 8.864 -6.132 797 HG22 THR 97 2HG2 THR 97 8.680 8.381 -4.907 798 HG23 THR 97 3HG2 THR 97 9.113 10.080 -5.089 799 H ARG 98 H ARG 98 5.150 7.067 -7.169 800 HA ARG 98 HA ARG 98 5.139 6.076 -4.607 801 HB2 ARG 98 2HB ARG 98 3.111 6.412 -6.083 802 HB3 ARG 98 1HB ARG 98 3.513 4.908 -6.906 803 HG2 ARG 98 2HG ARG 98 3.467 3.916 -4.424 804 HG3 ARG 98 1HG ARG 98 2.479 5.336 -4.109 805 HD2 ARG 98 2HD ARG 98 0.822 3.816 -4.624 806 HD3 ARG 98 1HD ARG 98 1.132 4.434 -6.248 807 HE ARG 98 HE ARG 98 2.331 2.465 -6.755 808 HH11 ARG 98 1HH1 ARG 98 0.844 2.260 -3.565 809 HH12 ARG 98 2HH1 ARG 98 0.971 0.535 -3.497 810 HH21 ARG 98 1HH2 ARG 98 2.443 0.226 -6.665 811 HH22 ARG 98 2HH2 ARG 98 1.877 -0.623 -5.254 812 H GLN 99 H GLN 99 5.572 4.117 -7.618 813 HA GLN 99 HA GLN 99 5.657 1.602 -6.342 814 HB2 GLN 99 2HB GLN 99 5.246 2.059 -8.824 815 HB3 GLN 99 1HB GLN 99 6.974 2.326 -9.004 816 HG2 GLN 99 2HG GLN 99 6.628 0.108 -9.737 817 HG3 GLN 99 1HG GLN 99 7.290 -0.066 -8.116 818 HE21 GLN 99 1HE2 GLN 99 5.734 -2.000 -9.631 819 HE22 GLN 99 2HE2 GLN 99 4.331 -2.359 -8.687 820 H LYS 100 H LYS 100 8.205 3.809 -7.393 821 HA LYS 100 HA LYS 100 10.501 2.341 -6.649 822 HB2 LYS 100 2HB LYS 100 10.117 5.362 -6.853 823 HB3 LYS 100 1HB LYS 100 11.671 4.533 -6.820 824 HG2 LYS 100 2HG LYS 100 11.136 3.448 -8.990 825 HG3 LYS 100 1HG LYS 100 9.575 4.274 -9.007 826 HD2 LYS 100 2HD LYS 100 11.227 5.430 -10.444 827 HD3 LYS 100 1HD LYS 100 10.690 6.461 -9.115 828 HE2 LYS 100 2HE LYS 100 13.108 6.660 -9.469 829 HE3 LYS 100 1HE LYS 100 12.776 5.958 -7.886 830 HZ1 LYS 100 1HZ LYS 100 13.627 4.492 -10.329 831 HZ2 LYS 100 2HZ LYS 100 13.221 3.753 -8.871 832 HZ3 LYS 100 3HZ LYS 100 14.564 4.773 -8.952 833 H SER 101 H SER 101 8.467 4.630 -4.893 834 HA SER 101 HA SER 101 10.238 5.229 -2.748 835 HB2 SER 101 2HB SER 101 8.419 6.774 -3.418 836 HB3 SER 101 1HB SER 101 7.207 5.584 -2.950 837 HG SER 101 HG SER 101 7.323 6.773 -1.175 838 H LEU 102 H LEU 102 7.395 3.093 -3.035 839 HA LEU 102 HA LEU 102 7.608 2.076 -0.345 840 HB2 LEU 102 2HB LEU 102 5.842 1.383 -2.701 841 HB3 LEU 102 1HB LEU 102 5.875 0.359 -1.280 842 HG LEU 102 HG LEU 102 5.134 2.345 0.099 843 HD11 LEU 102 1HD1 LEU 102 4.665 3.679 -2.574 844 HD12 LEU 102 2HD1 LEU 102 5.837 4.167 -1.347 845 HD13 LEU 102 3HD1 LEU 102 4.114 4.264 -1.000 846 HD21 LEU 102 1HD2 LEU 102 2.781 2.160 -0.566 847 HD22 LEU 102 2HD2 LEU 102 3.578 0.590 -0.610 848 HD23 LEU 102 3HD2 LEU 102 3.256 1.456 -2.117 849 H ASN 103 H ASN 103 8.705 1.022 -3.554 850 HA ASN 103 HA ASN 103 9.431 -1.642 -2.872 851 HB2 ASN 103 2HB ASN 103 9.318 -0.564 -5.222 852 HB3 ASN 103 1HB ASN 103 10.917 0.082 -4.903 853 HD21 ASN 103 1HD2 ASN 103 12.069 -2.270 -3.624 854 HD22 ASN 103 2HD2 ASN 103 12.169 -3.489 -4.837 855 H ASN 104 H ASN 104 11.234 1.418 -2.841 856 HA ASN 104 HA ASN 104 13.669 0.473 -1.760 857 HB2 ASN 104 2HB ASN 104 13.486 2.690 -2.845 858 HB3 ASN 104 1HB ASN 104 12.393 3.241 -1.578 859 HD21 ASN 104 1HD2 ASN 104 15.435 1.379 -1.296 860 HD22 ASN 104 2HD2 ASN 104 16.252 2.565 -0.351 861 H ALA 105 H ALA 105 10.760 1.894 -0.245 862 HA ALA 105 HA ALA 105 11.542 1.940 2.443 863 HB1 ALA 105 1HB ALA 105 9.137 2.044 2.965 864 HB2 ALA 105 2HB ALA 105 8.745 1.507 1.328 865 HB3 ALA 105 3HB ALA 105 9.523 3.069 1.583 866 H TYR 106 H TYR 106 10.122 -0.663 0.504 867 HA TYR 106 HA TYR 106 9.677 -2.581 2.545 868 HB2 TYR 106 2HB TYR 106 8.730 -2.681 0.183 869 HB3 TYR 106 1HB TYR 106 10.326 -3.119 -0.406 870 HD1 TYR 106 HD1 TYR 106 11.365 -5.354 0.734 871 HD2 TYR 106 HD2 TYR 106 7.214 -4.410 0.706 872 HE1 TYR 106 HE1 TYR 106 10.833 -7.730 1.066 873 HE2 TYR 106 HE2 TYR 106 6.691 -6.769 1.062 874 HH TYR 106 HH TYR 106 7.629 -8.934 0.755 875 H GLY 107 H GLY 107 12.365 -2.066 0.237 876 HA2 GLY 107 2HA GLY 107 14.020 -4.216 0.992 877 HA3 GLY 107 1HA GLY 107 14.552 -2.752 0.182 878 H ARG 108 H ARG 108 13.882 -0.888 2.179 879 HA ARG 108 HA ARG 108 16.165 -1.144 3.916 880 HB2 ARG 108 2HB ARG 108 13.988 0.991 3.941 881 HB3 ARG 108 1HB ARG 108 15.539 1.092 4.762 882 HG2 ARG 108 2HG ARG 108 15.015 1.197 1.777 883 HG3 ARG 108 1HG ARG 108 15.644 2.475 2.811 884 HD2 ARG 108 2HD ARG 108 17.669 0.972 3.213 885 HD3 ARG 108 1HD ARG 108 17.037 -0.058 1.924 886 HE ARG 108 HE ARG 108 17.351 2.732 1.220 887 HH11 ARG 108 1HH1 ARG 108 18.941 -0.447 1.203 888 HH12 ARG 108 2HH1 ARG 108 20.067 0.003 -0.045 889 HH21 ARG 108 1HH2 ARG 108 18.859 3.300 -0.357 890 HH22 ARG 108 2HH2 ARG 108 20.012 2.129 -0.921 891 H LEU 109 H LEU 109 12.666 -1.619 4.222 892 HA LEU 109 HA LEU 109 12.559 -1.831 7.083 893 HB2 LEU 109 2HB LEU 109 10.556 -1.367 5.686 894 HB3 LEU 109 1HB LEU 109 10.667 -2.977 4.994 895 HG LEU 109 HG LEU 109 10.160 -3.980 7.211 896 HD11 LEU 109 1HD1 LEU 109 9.415 -2.600 9.103 897 HD12 LEU 109 2HD1 LEU 109 9.869 -1.134 8.228 898 HD13 LEU 109 3HD1 LEU 109 11.106 -2.302 8.702 899 HD21 LEU 109 1HD2 LEU 109 8.123 -1.896 6.361 900 HD22 LEU 109 2HD2 LEU 109 7.803 -3.347 7.318 901 HD23 LEU 109 3HD2 LEU 109 8.335 -3.497 5.648 902 H SER 110 H SER 110 13.095 -4.074 4.463 903 HA SER 110 HA SER 110 13.078 -6.490 5.968 904 HB2 SER 110 2HB SER 110 12.708 -6.475 3.524 905 HB3 SER 110 1HB SER 110 14.315 -5.801 3.255 906 HG SER 110 HG SER 110 15.070 -7.746 3.315 907 H GLY 111 H GLY 111 15.596 -4.137 4.963 908 HA2 GLY 111 2HA GLY 111 17.760 -5.803 6.024 909 HA3 GLY 111 1HA GLY 111 17.919 -4.283 5.171 910 H MET 112 H MET 112 16.895 -2.304 6.574 911 HA MET 112 HA MET 112 18.417 -2.456 9.104 912 HB2 MET 112 2HB MET 112 18.422 -0.507 7.084 913 HB3 MET 112 1HB MET 112 17.424 0.243 8.321 914 HG2 MET 112 2HG MET 112 20.280 -0.717 8.608 915 HG3 MET 112 1HG MET 112 19.692 0.941 8.662 916 HE1 MET 112 1HE MET 112 17.142 0.744 10.564 917 HE2 MET 112 2HE MET 112 18.384 1.975 10.809 918 HE3 MET 112 3HE MET 112 17.848 0.978 12.162 919 H LEU 113 H LEU 113 15.425 -0.627 8.172 920 HA LEU 113 HA LEU 113 13.460 -1.706 9.725 921 HB2 LEU 113 2HB LEU 113 15.235 -0.874 11.640 922 HB3 LEU 113 1HB LEU 113 14.372 0.636 11.444 923 HG LEU 113 HG LEU 113 13.121 -2.025 12.288 924 HD11 LEU 113 1HD1 LEU 113 14.522 -1.121 14.052 925 HD12 LEU 113 2HD1 LEU 113 12.820 -0.998 14.493 926 HD13 LEU 113 3HD1 LEU 113 13.697 0.438 13.954 927 HD21 LEU 113 1HD2 LEU 113 11.789 0.697 12.070 928 HD22 LEU 113 2HD2 LEU 113 11.070 -0.750 12.782 929 HD23 LEU 113 3HD2 LEU 113 11.463 -0.719 11.067 930 H LEU 114 H LEU 114 13.630 -0.546 7.366 931 HA LEU 114 HA LEU 114 12.401 0.585 5.887 932 HB2 LEU 114 2HB LEU 114 10.680 0.604 7.907 933 HB3 LEU 114 1HB LEU 114 11.017 2.320 7.942 934 HG LEU 114 HG LEU 114 10.070 0.948 5.392 935 HD11 LEU 114 1HD1 LEU 114 8.425 0.393 7.116 936 HD12 LEU 114 2HD1 LEU 114 7.752 1.516 5.939 937 HD13 LEU 114 3HD1 LEU 114 8.250 2.101 7.531 938 HD21 LEU 114 1HD2 LEU 114 10.961 3.221 5.096 939 HD22 LEU 114 2HD2 LEU 114 9.826 3.842 6.295 940 HD23 LEU 114 3HD2 LEU 114 9.227 3.176 4.774 941 H VAL 115 H VAL 115 14.259 2.256 8.264 942 HA VAL 115 HA VAL 115 14.698 4.601 6.583 943 HB VAL 115 HB VAL 115 16.269 5.323 8.431 944 HG11 VAL 115 1HG1 VAL 115 14.496 5.836 10.082 945 HG12 VAL 115 2HG1 VAL 115 13.436 4.645 9.325 946 HG13 VAL 115 3HG1 VAL 115 13.935 6.081 8.427 947 HG21 VAL 115 1HG2 VAL 115 15.287 2.822 9.866 948 HG22 VAL 115 2HG2 VAL 115 16.257 4.110 10.591 949 HG23 VAL 115 3HG2 VAL 115 16.932 3.119 9.297 950 HA PRO 116 HA PRO 116 18.063 2.463 4.459 951 HB2 PRO 116 2HB PRO 116 19.181 4.590 3.135 952 HB3 PRO 116 1HB PRO 116 17.600 3.914 2.694 953 HG2 PRO 116 2HG PRO 116 18.205 6.324 4.379 954 HG3 PRO 116 1HG PRO 116 17.026 6.148 3.058 955 HD2 PRO 116 2HD PRO 116 16.291 5.993 5.668 956 HD3 PRO 116 1HD PRO 116 15.479 5.040 4.404 957 H ASP 117 H ASP 117 19.988 1.757 5.229 958 HA ASP 117 HA ASP 117 21.665 3.362 6.977 959 HB2 ASP 117 2HB ASP 117 21.490 0.929 7.364 960 HB3 ASP 117 1HB ASP 117 22.103 0.592 5.750 961 H ALA 118 H ALA 118 22.570 1.532 4.048 962 HA ALA 118 HA ALA 118 23.460 3.701 2.471 963 HB1 ALA 118 1HB ALA 118 25.919 3.331 2.598 964 HB2 ALA 118 2HB ALA 118 25.678 2.173 3.911 965 HB3 ALA 118 3HB ALA 118 25.268 3.873 4.146 966 HA PRO 119 HA PRO 119 23.067 0.248 -0.416 967 HB2 PRO 119 2HB PRO 119 24.545 1.859 -2.451 968 HB3 PRO 119 1HB PRO 119 22.845 1.349 -2.436 969 HG2 PRO 119 2HG PRO 119 23.540 3.923 -2.074 970 HG3 PRO 119 1HG PRO 119 22.137 3.212 -1.241 971 HD2 PRO 119 2HD PRO 119 24.926 3.683 -0.170 972 HD3 PRO 119 1HD PRO 119 23.354 4.042 0.586 973 H GLY 120 H GLY 120 24.285 -1.364 -1.497 974 HA2 GLY 120 2HA GLY 120 27.016 -1.800 -0.666 975 HA3 GLY 120 1HA GLY 120 26.059 -2.821 -1.729 976 H ALA 121 H ALA 121 28.098 0.029 -1.589 977 HA ALA 121 HA ALA 121 28.157 0.545 -4.412 978 HB1 ALA 121 1HB ALA 121 29.969 2.136 -3.840 979 HB2 ALA 121 2HB ALA 121 30.009 1.499 -2.193 980 HB3 ALA 121 3HB ALA 121 28.570 2.332 -2.782 981 H SER 122 H SER 122 28.741 -1.321 -5.466 982 HA SER 122 HA SER 122 30.892 -3.056 -4.767 983 HB2 SER 122 2HB SER 122 30.378 -4.025 -7.109 984 HB3 SER 122 1HB SER 122 29.051 -4.020 -5.949 985 HG SER 122 HG SER 122 29.350 -1.822 -7.677 Start of MODEL 16 1 H1 MET 1 1H MET 1 0.202 2.668 22.019 2 H2 MET 1 2H MET 1 0.905 1.242 22.578 3 H3 MET 1 3H MET 1 -0.396 1.173 21.500 4 HA MET 1 HA MET 1 2.293 2.279 20.913 5 HB2 MET 1 2HB MET 1 2.011 -0.277 21.223 6 HB3 MET 1 1HB MET 1 0.999 -0.249 19.789 7 HG2 MET 1 2HG MET 1 2.938 0.616 18.488 8 HG3 MET 1 1HG MET 1 3.926 0.504 19.943 9 HE1 MET 1 1HE MET 1 1.918 -1.517 17.217 10 HE2 MET 1 2HE MET 1 1.127 -2.051 18.702 11 HE3 MET 1 3HE MET 1 2.130 -3.172 17.782 12 H THR 2 H THR 2 0.157 3.924 20.612 13 HA THR 2 HA THR 2 -1.683 3.645 18.597 14 HB THR 2 HB THR 2 -0.469 6.251 19.612 15 HG1 THR 2 HG1 THR 2 -2.746 4.794 20.536 16 HG21 THR 2 1HG2 THR 2 -2.648 7.279 19.041 17 HG22 THR 2 2HG2 THR 2 -3.186 5.763 18.314 18 HG23 THR 2 3HG2 THR 2 -1.843 6.658 17.601 19 H SER 3 H SER 3 1.486 5.328 18.316 20 HA SER 3 HA SER 3 1.207 6.340 15.731 21 HB2 SER 3 2HB SER 3 3.769 5.429 17.100 22 HB3 SER 3 1HB SER 3 3.675 6.539 15.732 23 HG SER 3 HG SER 3 3.007 8.090 17.010 24 H THR 4 H THR 4 2.635 3.235 16.761 25 HA THR 4 HA THR 4 3.329 2.323 14.161 26 HB THR 4 HB THR 4 2.926 0.646 16.678 27 HG1 THR 4 HG1 THR 4 5.470 0.939 16.232 28 HG21 THR 4 1HG2 THR 4 4.471 0.041 14.125 29 HG22 THR 4 2HG2 THR 4 2.988 -0.758 14.652 30 HG23 THR 4 3HG2 THR 4 4.473 -0.955 15.581 31 H VAL 5 H VAL 5 0.522 1.704 16.282 32 HA VAL 5 HA VAL 5 -0.713 -0.293 14.712 33 HB VAL 5 HB VAL 5 -1.961 1.639 16.727 34 HG11 VAL 5 1HG1 VAL 5 -3.194 -0.879 15.524 35 HG12 VAL 5 2HG1 VAL 5 -3.727 0.779 15.243 36 HG13 VAL 5 3HG1 VAL 5 -3.879 0.069 16.847 37 HG21 VAL 5 1HG2 VAL 5 -1.828 -0.261 18.298 38 HG22 VAL 5 2HG2 VAL 5 -0.231 0.163 17.683 39 HG23 VAL 5 3HG2 VAL 5 -1.067 -1.256 17.052 40 H GLU 6 H GLU 6 -1.049 3.251 14.729 41 HA GLU 6 HA GLU 6 -3.108 3.387 12.760 42 HB2 GLU 6 2HB GLU 6 -1.089 5.501 13.648 43 HB3 GLU 6 1HB GLU 6 -2.434 5.815 12.555 44 HG2 GLU 6 2HG GLU 6 -2.616 4.978 15.457 45 HG3 GLU 6 1HG GLU 6 -3.016 6.551 14.778 46 H PHE 7 H PHE 7 0.448 3.489 12.626 47 HA PHE 7 HA PHE 7 0.684 4.140 9.874 48 HB2 PHE 7 2HB PHE 7 2.495 4.298 11.671 49 HB3 PHE 7 1HB PHE 7 2.707 2.559 11.517 50 HD1 PHE 7 HD1 PHE 7 2.680 5.690 9.419 51 HD2 PHE 7 HD2 PHE 7 4.341 1.790 9.997 52 HE1 PHE 7 HE1 PHE 7 4.299 6.089 7.600 53 HE2 PHE 7 HE2 PHE 7 5.929 2.225 8.192 54 HZ PHE 7 HZ PHE 7 5.926 4.360 6.988 55 H ILE 8 H ILE 8 0.542 1.017 11.581 56 HA ILE 8 HA ILE 8 0.741 -0.712 9.318 57 HB ILE 8 HB ILE 8 -0.593 -1.246 12.026 58 HG12 ILE 8 2HG1 ILE 8 2.216 -2.030 11.115 59 HG13 ILE 8 1HG1 ILE 8 1.858 -0.671 12.171 60 HG21 ILE 8 1HG2 ILE 8 0.284 -3.251 9.904 61 HG22 ILE 8 2HG2 ILE 8 -1.382 -2.854 10.329 62 HG23 ILE 8 3HG2 ILE 8 -0.343 -3.661 11.503 63 HD11 ILE 8 1HD1 ILE 8 1.341 -3.572 12.782 64 HD12 ILE 8 2HD1 ILE 8 0.939 -2.215 13.835 65 HD13 ILE 8 3HD1 ILE 8 2.622 -2.563 13.449 66 H ASN 9 H ASN 9 -1.939 0.868 11.014 67 HA ASN 9 HA ASN 9 -4.125 -0.289 9.630 68 HB2 ASN 9 2HB ASN 9 -4.466 0.894 11.740 69 HB3 ASN 9 1HB ASN 9 -3.838 2.391 11.066 70 HD21 ASN 9 1HD2 ASN 9 -6.554 0.154 11.040 71 HD22 ASN 9 2HD2 ASN 9 -7.705 1.266 10.389 72 H ARG 10 H ARG 10 -1.926 2.293 8.857 73 HA ARG 10 HA ARG 10 -3.413 3.254 6.557 74 HB2 ARG 10 2HB ARG 10 -0.633 3.878 7.624 75 HB3 ARG 10 1HB ARG 10 -1.337 4.657 6.211 76 HG2 ARG 10 2HG ARG 10 -3.082 5.670 7.525 77 HG3 ARG 10 1HG ARG 10 -2.637 4.722 8.942 78 HD2 ARG 10 2HD ARG 10 -0.356 5.943 8.825 79 HD3 ARG 10 1HD ARG 10 -1.160 7.056 7.704 80 HE ARG 10 HE ARG 10 -2.795 6.789 9.959 81 HH11 ARG 10 1HH1 ARG 10 0.367 8.144 9.194 82 HH12 ARG 10 2HH1 ARG 10 0.286 9.320 10.468 83 HH21 ARG 10 1HH2 ARG 10 -2.842 8.302 11.643 84 HH22 ARG 10 2HH2 ARG 10 -1.523 9.408 11.851 85 H TRP 11 H TRP 11 -0.717 1.008 7.184 86 HA TRP 11 HA TRP 11 -0.290 0.354 4.429 87 HB2 TRP 11 2HB TRP 11 0.306 -1.207 6.973 88 HB3 TRP 11 1HB TRP 11 0.669 -1.841 5.371 89 HD1 TRP 11 HD1 TRP 11 2.401 -0.196 8.064 90 HE1 TRP 11 HE1 TRP 11 4.521 0.989 7.252 91 HE3 TRP 11 HE3 TRP 11 1.435 -0.061 3.021 92 HZ2 TRP 11 HZ2 TRP 11 5.651 1.882 4.846 93 HZ3 TRP 11 HZ3 TRP 11 3.095 0.997 1.536 94 HH2 TRP 11 HH2 TRP 11 5.162 1.951 2.434 95 H GLN 12 H GLN 12 -2.569 -0.809 6.896 96 HA GLN 12 HA GLN 12 -3.814 -2.890 5.451 97 HB2 GLN 12 2HB GLN 12 -5.079 -0.949 7.460 98 HB3 GLN 12 1HB GLN 12 -5.877 -2.383 6.829 99 HG2 GLN 12 2HG GLN 12 -4.123 -3.783 7.892 100 HG3 GLN 12 1HG GLN 12 -3.411 -2.333 8.586 101 HE21 GLN 12 1HE2 GLN 12 -6.151 -4.505 8.699 102 HE22 GLN 12 2HE2 GLN 12 -6.758 -3.977 10.225 103 H ARG 13 H ARG 13 -4.420 0.561 5.708 104 HA ARG 13 HA ARG 13 -6.657 0.901 4.139 105 HB2 ARG 13 2HB ARG 13 -5.659 2.617 5.636 106 HB3 ARG 13 1HB ARG 13 -4.294 2.783 4.539 107 HG2 ARG 13 2HG ARG 13 -5.759 4.650 4.211 108 HG3 ARG 13 1HG ARG 13 -5.855 3.620 2.784 109 HD2 ARG 13 2HD ARG 13 -7.982 2.695 3.581 110 HD3 ARG 13 1HD ARG 13 -7.882 3.686 5.044 111 HE ARG 13 HE ARG 13 -7.686 5.344 2.768 112 HH11 ARG 13 1HH1 ARG 13 -10.106 3.399 4.452 113 HH12 ARG 13 2HH1 ARG 13 -11.428 4.392 3.919 114 HH21 ARG 13 1HH2 ARG 13 -9.429 6.645 2.103 115 HH22 ARG 13 2HH2 ARG 13 -11.048 6.227 2.588 116 H ILE 14 H ILE 14 -3.211 1.249 3.081 117 HA ILE 14 HA ILE 14 -3.759 1.718 0.332 118 HB ILE 14 HB ILE 14 -1.214 0.460 1.485 119 HG12 ILE 14 2HG1 ILE 14 -1.813 3.420 0.989 120 HG13 ILE 14 1HG1 ILE 14 -1.662 2.651 2.563 121 HG21 ILE 14 1HG2 ILE 14 -1.627 1.944 -1.143 122 HG22 ILE 14 2HG2 ILE 14 -1.404 0.204 -0.964 123 HG23 ILE 14 3HG2 ILE 14 -0.094 1.303 -0.544 124 HD11 ILE 14 1HD1 ILE 14 0.686 2.180 2.145 125 HD12 ILE 14 2HD1 ILE 14 0.343 3.897 1.948 126 HD13 ILE 14 3HD1 ILE 14 0.559 2.883 0.528 127 H ALA 15 H ALA 15 -2.921 -1.279 2.103 128 HA ALA 15 HA ALA 15 -2.687 -3.071 -0.044 129 HB1 ALA 15 1HB ALA 15 -2.933 -4.849 1.659 130 HB2 ALA 15 2HB ALA 15 -3.528 -3.656 2.821 131 HB3 ALA 15 3HB ALA 15 -1.870 -3.560 2.227 132 H LEU 16 H LEU 16 -5.476 -2.178 1.889 133 HA LEU 16 HA LEU 16 -7.231 -4.246 0.893 134 HB2 LEU 16 2HB LEU 16 -7.798 -1.781 2.595 135 HB3 LEU 16 1HB LEU 16 -9.019 -2.975 2.182 136 HG LEU 16 HG LEU 16 -6.535 -3.483 3.869 137 HD11 LEU 16 1HD1 LEU 16 -8.111 -3.771 5.744 138 HD12 LEU 16 2HD1 LEU 16 -9.455 -3.322 4.689 139 HD13 LEU 16 3HD1 LEU 16 -8.190 -2.148 5.057 140 HD21 LEU 16 1HD2 LEU 16 -8.758 -5.416 3.156 141 HD22 LEU 16 2HD2 LEU 16 -7.428 -5.722 4.276 142 HD23 LEU 16 3HD2 LEU 16 -7.096 -5.471 2.565 143 H LEU 17 H LEU 17 -6.923 -0.715 0.420 144 HA LEU 17 HA LEU 17 -9.106 -0.381 -1.325 145 HB2 LEU 17 2HB LEU 17 -6.531 1.226 -1.084 146 HB3 LEU 17 1HB LEU 17 -7.863 1.703 -2.124 147 HG LEU 17 HG LEU 17 -8.022 1.434 0.905 148 HD11 LEU 17 1HD1 LEU 17 -7.965 3.951 -0.789 149 HD12 LEU 17 2HD1 LEU 17 -6.659 3.353 0.235 150 HD13 LEU 17 3HD1 LEU 17 -8.174 3.874 0.965 151 HD21 LEU 17 1HD2 LEU 17 -10.128 2.403 -1.057 152 HD22 LEU 17 2HD2 LEU 17 -10.253 2.462 0.704 153 HD23 LEU 17 3HD2 LEU 17 -10.170 0.908 -0.118 154 H SER 18 H SER 18 -5.654 -0.988 -2.041 155 HA SER 18 HA SER 18 -5.881 -0.945 -4.877 156 HB2 SER 18 2HB SER 18 -3.602 -1.970 -4.828 157 HB3 SER 18 1HB SER 18 -3.731 -0.582 -3.749 158 HG SER 18 HG SER 18 -3.144 -1.869 -2.211 159 H GLN 19 H GLN 19 -6.028 -3.592 -2.479 160 HA GLN 19 HA GLN 19 -6.047 -5.778 -4.268 161 HB2 GLN 19 2HB GLN 19 -5.684 -5.981 -1.802 162 HB3 GLN 19 1HB GLN 19 -7.379 -5.594 -1.529 163 HG2 GLN 19 2HG GLN 19 -6.895 -8.027 -1.348 164 HG3 GLN 19 1HG GLN 19 -8.083 -7.661 -2.598 165 HE21 GLN 19 1HE2 GLN 19 -4.762 -8.648 -2.004 166 HE22 GLN 19 2HE2 GLN 19 -4.452 -9.253 -3.593 167 H SER 20 H SER 20 -8.699 -3.914 -2.824 168 HA SER 20 HA SER 20 -10.866 -5.165 -4.067 169 HB2 SER 20 2HB SER 20 -10.606 -2.218 -3.331 170 HB3 SER 20 1HB SER 20 -12.119 -3.084 -3.627 171 HG SER 20 HG SER 20 -10.510 -3.047 -1.391 172 H LEU 21 H LEU 21 -8.808 -2.444 -5.138 173 HA LEU 21 HA LEU 21 -10.191 -1.860 -7.536 174 HB2 LEU 21 2HB LEU 21 -7.270 -1.329 -6.844 175 HB3 LEU 21 1HB LEU 21 -8.128 -0.625 -8.206 176 HG LEU 21 HG LEU 21 -8.565 -0.060 -5.261 177 HD11 LEU 21 1HD1 LEU 21 -8.012 2.260 -5.850 178 HD12 LEU 21 2HD1 LEU 21 -7.753 1.778 -7.528 179 HD13 LEU 21 3HD1 LEU 21 -6.699 1.154 -6.257 180 HD21 LEU 21 1HD2 LEU 21 -10.307 0.836 -7.557 181 HD22 LEU 21 2HD2 LEU 21 -10.392 1.456 -5.909 182 HD23 LEU 21 3HD2 LEU 21 -10.762 -0.232 -6.229 183 H LEU 22 H LEU 22 -7.748 -4.260 -6.753 184 HA LEU 22 HA LEU 22 -6.986 -4.884 -9.431 185 HB2 LEU 22 2HB LEU 22 -5.566 -5.430 -7.452 186 HB3 LEU 22 1HB LEU 22 -6.753 -6.622 -6.941 187 HG LEU 22 HG LEU 22 -6.311 -7.963 -8.988 188 HD11 LEU 22 1HD1 LEU 22 -4.211 -5.880 -9.675 189 HD12 LEU 22 2HD1 LEU 22 -5.715 -6.182 -10.549 190 HD13 LEU 22 3HD1 LEU 22 -4.465 -7.419 -10.506 191 HD21 LEU 22 1HD2 LEU 22 -3.749 -7.300 -7.497 192 HD22 LEU 22 2HD2 LEU 22 -4.089 -8.778 -8.404 193 HD23 LEU 22 3HD2 LEU 22 -5.005 -8.414 -6.946 194 H GLU 23 H GLU 23 -9.188 -6.485 -7.074 195 HA GLU 23 HA GLU 23 -10.218 -8.451 -8.827 196 HB2 GLU 23 2HB GLU 23 -11.412 -7.194 -6.332 197 HB3 GLU 23 1HB GLU 23 -12.235 -8.466 -7.228 198 HG2 GLU 23 2HG GLU 23 -10.007 -9.814 -6.897 199 HG3 GLU 23 1HG GLU 23 -9.682 -8.635 -5.626 200 H LEU 24 H LEU 24 -11.321 -5.165 -8.141 201 HA LEU 24 HA LEU 24 -13.726 -5.200 -9.630 202 HB2 LEU 24 2HB LEU 24 -11.932 -2.896 -8.766 203 HB3 LEU 24 1HB LEU 24 -13.478 -2.653 -9.562 204 HG LEU 24 HG LEU 24 -13.125 -4.043 -6.880 205 HD11 LEU 24 1HD1 LEU 24 -14.076 -1.213 -7.421 206 HD12 LEU 24 2HD1 LEU 24 -12.524 -1.671 -6.719 207 HD13 LEU 24 3HD1 LEU 24 -14.016 -2.012 -5.846 208 HD21 LEU 24 1HD2 LEU 24 -15.660 -3.171 -8.300 209 HD22 LEU 24 2HD2 LEU 24 -15.564 -3.860 -6.677 210 HD23 LEU 24 3HD2 LEU 24 -15.105 -4.833 -8.072 211 H ALA 25 H ALA 25 -10.389 -4.331 -10.489 212 HA ALA 25 HA ALA 25 -10.850 -3.354 -13.112 213 HB1 ALA 25 1HB ALA 25 -8.450 -3.710 -13.458 214 HB2 ALA 25 2HB ALA 25 -8.368 -4.711 -12.004 215 HB3 ALA 25 3HB ALA 25 -8.750 -2.993 -11.875 216 H GLN 26 H GLN 26 -10.088 -6.607 -11.890 217 HA GLN 26 HA GLN 26 -10.074 -8.068 -14.305 218 HB2 GLN 26 2HB GLN 26 -11.031 -8.927 -11.541 219 HB3 GLN 26 1HB GLN 26 -10.681 -10.033 -12.865 220 HG2 GLN 26 2HG GLN 26 -8.332 -9.568 -12.764 221 HG3 GLN 26 1HG GLN 26 -8.585 -8.177 -11.709 222 HE21 GLN 26 1HE2 GLN 26 -7.210 -8.982 -10.094 223 HE22 GLN 26 2HE2 GLN 26 -7.626 -10.330 -9.097 224 H ARG 27 H ARG 27 -12.742 -7.070 -12.204 225 HA ARG 27 HA ARG 27 -14.821 -8.408 -13.736 226 HB2 ARG 27 2HB ARG 27 -15.004 -6.392 -11.452 227 HB3 ARG 27 1HB ARG 27 -16.349 -7.342 -12.087 228 HG2 ARG 27 2HG ARG 27 -15.338 -9.413 -11.327 229 HG3 ARG 27 1HG ARG 27 -13.858 -8.573 -10.871 230 HD2 ARG 27 2HD ARG 27 -15.179 -7.298 -9.154 231 HD3 ARG 27 1HD ARG 27 -16.579 -8.302 -9.558 232 HE ARG 27 HE ARG 27 -14.060 -9.547 -8.652 233 HH11 ARG 27 1HH1 ARG 27 -17.479 -8.946 -8.099 234 HH12 ARG 27 2HH1 ARG 27 -17.596 -10.091 -6.800 235 HH21 ARG 27 1HH2 ARG 27 -14.205 -11.003 -6.912 236 HH22 ARG 27 2HH2 ARG 27 -15.733 -11.261 -6.126 237 H GLY 28 H GLY 28 -13.106 -5.575 -14.258 238 HA2 GLY 28 2HA GLY 28 -13.307 -4.043 -15.975 239 HA3 GLY 28 1HA GLY 28 -14.869 -4.730 -16.383 240 H GLU 29 H GLU 29 -14.535 -3.859 -13.121 241 HA GLU 29 HA GLU 29 -16.366 -1.622 -13.269 242 HB2 GLU 29 2HB GLU 29 -14.933 -2.902 -10.898 243 HB3 GLU 29 1HB GLU 29 -16.231 -1.725 -10.784 244 HG2 GLU 29 2HG GLU 29 -16.506 -4.485 -11.999 245 HG3 GLU 29 1HG GLU 29 -16.973 -4.056 -10.354 246 H TRP 30 H TRP 30 -14.238 -0.769 -14.653 247 HA TRP 30 HA TRP 30 -12.068 0.357 -13.255 248 HB2 TRP 30 2HB TRP 30 -13.213 1.163 -15.968 249 HB3 TRP 30 1HB TRP 30 -11.640 1.658 -15.344 250 HD1 TRP 30 HD1 TRP 30 -13.367 -1.239 -17.084 251 HE1 TRP 30 HE1 TRP 30 -11.647 -3.072 -17.606 252 HE3 TRP 30 HE3 TRP 30 -9.400 0.549 -14.380 253 HZ2 TRP 30 HZ2 TRP 30 -8.982 -3.684 -16.978 254 HZ3 TRP 30 HZ3 TRP 30 -7.298 -0.731 -14.394 255 HH2 TRP 30 HH2 TRP 30 -7.094 -2.804 -15.666 256 H ASP 31 H ASP 31 -15.293 1.551 -13.923 257 HA ASP 31 HA ASP 31 -15.176 4.224 -13.231 258 HB2 ASP 31 2HB ASP 31 -17.325 2.218 -12.361 259 HB3 ASP 31 1HB ASP 31 -17.517 3.970 -12.379 260 H LEU 32 H LEU 32 -15.596 1.441 -11.066 261 HA LEU 32 HA LEU 32 -15.628 2.851 -8.625 262 HB2 LEU 32 2HB LEU 32 -15.006 -0.075 -9.181 263 HB3 LEU 32 1HB LEU 32 -15.296 0.590 -7.580 264 HG LEU 32 HG LEU 32 -17.322 0.472 -9.849 265 HD11 LEU 32 1HD1 LEU 32 -17.223 -1.078 -7.244 266 HD12 LEU 32 2HD1 LEU 32 -16.879 -1.718 -8.851 267 HD13 LEU 32 3HD1 LEU 32 -18.503 -1.164 -8.458 268 HD21 LEU 32 1HD2 LEU 32 -18.968 1.305 -8.213 269 HD22 LEU 32 2HD2 LEU 32 -17.694 2.483 -8.511 270 HD23 LEU 32 3HD2 LEU 32 -17.682 1.531 -7.024 271 H LEU 33 H LEU 33 -12.975 1.537 -10.554 272 HA LEU 33 HA LEU 33 -10.914 1.929 -8.630 273 HB2 LEU 33 2HB LEU 33 -10.833 1.713 -11.654 274 HB3 LEU 33 1HB LEU 33 -9.395 2.174 -10.760 275 HG LEU 33 HG LEU 33 -9.727 -0.004 -9.405 276 HD11 LEU 33 1HD1 LEU 33 -10.893 -1.829 -10.505 277 HD12 LEU 33 2HD1 LEU 33 -11.496 -0.721 -11.741 278 HD13 LEU 33 3HD1 LEU 33 -11.994 -0.528 -10.058 279 HD21 LEU 33 1HD2 LEU 33 -8.511 -1.348 -11.059 280 HD22 LEU 33 2HD2 LEU 33 -7.901 0.302 -10.976 281 HD23 LEU 33 3HD2 LEU 33 -8.935 -0.185 -12.319 282 H LEU 34 H LEU 34 -12.336 4.055 -11.097 283 HA LEU 34 HA LEU 34 -10.464 6.195 -10.785 284 HB2 LEU 34 2HB LEU 34 -13.305 6.318 -11.896 285 HB3 LEU 34 1HB LEU 34 -12.062 7.541 -12.112 286 HG LEU 34 HG LEU 34 -12.024 4.733 -13.262 287 HD11 LEU 34 1HD1 LEU 34 -12.226 5.818 -15.449 288 HD12 LEU 34 2HD1 LEU 34 -12.339 7.397 -14.667 289 HD13 LEU 34 3HD1 LEU 34 -13.601 6.191 -14.410 290 HD21 LEU 34 1HD2 LEU 34 -9.936 6.905 -13.561 291 HD22 LEU 34 2HD2 LEU 34 -9.964 5.374 -14.441 292 HD23 LEU 34 3HD2 LEU 34 -9.751 5.378 -12.693 293 H GLN 35 H GLN 35 -13.613 5.499 -9.243 294 HA GLN 35 HA GLN 35 -13.736 8.007 -7.821 295 HB2 GLN 35 2HB GLN 35 -15.286 5.415 -7.486 296 HB3 GLN 35 1HB GLN 35 -15.472 6.748 -6.355 297 HG2 GLN 35 2HG GLN 35 -17.252 7.052 -7.836 298 HG3 GLN 35 1HG GLN 35 -16.045 8.191 -8.422 299 HE21 GLN 35 1HE2 GLN 35 -14.956 7.698 -10.386 300 HE22 GLN 35 2HE2 GLN 35 -15.614 6.579 -11.520 301 H GLN 36 H GLN 36 -12.988 4.651 -6.765 302 HA GLN 36 HA GLN 36 -12.136 5.322 -4.138 303 HB2 GLN 36 2HB GLN 36 -11.601 2.876 -5.860 304 HB3 GLN 36 1HB GLN 36 -11.074 3.001 -4.189 305 HG2 GLN 36 2HG GLN 36 -13.962 3.186 -5.069 306 HG3 GLN 36 1HG GLN 36 -13.180 1.707 -4.512 307 HE21 GLN 36 1HE2 GLN 36 -15.463 3.090 -3.355 308 HE22 GLN 36 2HE2 GLN 36 -15.025 3.475 -1.731 309 H GLU 37 H GLU 37 -10.547 5.625 -7.159 310 HA GLU 37 HA GLU 37 -7.852 5.494 -6.671 311 HB2 GLU 37 2HB GLU 37 -8.865 6.097 -8.860 312 HB3 GLU 37 1HB GLU 37 -9.323 7.668 -8.212 313 HG2 GLU 37 2HG GLU 37 -6.820 8.067 -7.805 314 HG3 GLU 37 1HG GLU 37 -6.533 6.637 -8.793 315 H VAL 38 H VAL 38 -10.001 8.275 -6.101 316 HA VAL 38 HA VAL 38 -8.132 10.135 -5.193 317 HB VAL 38 HB VAL 38 -11.082 9.934 -4.402 318 HG11 VAL 38 1HG1 VAL 38 -9.888 11.515 -2.958 319 HG12 VAL 38 2HG1 VAL 38 -10.967 12.384 -4.045 320 HG13 VAL 38 3HG1 VAL 38 -9.231 12.354 -4.365 321 HG21 VAL 38 1HG2 VAL 38 -10.801 9.901 -6.849 322 HG22 VAL 38 2HG2 VAL 38 -9.827 11.371 -6.781 323 HG23 VAL 38 3HG2 VAL 38 -11.532 11.419 -6.327 324 H SER 39 H SER 39 -10.107 7.836 -3.313 325 HA SER 39 HA SER 39 -9.212 8.453 -0.717 326 HB2 SER 39 2HB SER 39 -10.081 5.731 -1.786 327 HB3 SER 39 1HB SER 39 -10.090 6.235 -0.093 328 HG SER 39 HG SER 39 -11.715 7.675 -0.544 329 H TYR 40 H TYR 40 -8.068 6.085 -3.088 330 HA TYR 40 HA TYR 40 -6.081 4.804 -1.586 331 HB2 TYR 40 2HB TYR 40 -7.068 3.850 -3.627 332 HB3 TYR 40 1HB TYR 40 -6.379 5.145 -4.598 333 HD1 TYR 40 HD1 TYR 40 -5.038 2.679 -2.064 334 HD2 TYR 40 HD2 TYR 40 -4.632 4.385 -5.963 335 HE1 TYR 40 HE1 TYR 40 -3.098 1.243 -2.497 336 HE2 TYR 40 HE2 TYR 40 -2.681 2.949 -6.393 337 HH TYR 40 HH TYR 40 -1.071 1.622 -5.306 338 H LEU 41 H LEU 41 -5.957 7.665 -3.661 339 HA LEU 41 HA LEU 41 -3.112 7.898 -3.776 340 HB2 LEU 41 2HB LEU 41 -5.247 9.998 -4.359 341 HB3 LEU 41 1HB LEU 41 -3.544 10.130 -4.774 342 HG LEU 41 HG LEU 41 -5.563 8.204 -5.959 343 HD11 LEU 41 1HD1 LEU 41 -5.109 9.371 -8.073 344 HD12 LEU 41 2HD1 LEU 41 -4.046 10.494 -7.224 345 HD13 LEU 41 3HD1 LEU 41 -5.767 10.443 -6.839 346 HD21 LEU 41 1HD2 LEU 41 -3.466 6.998 -5.712 347 HD22 LEU 41 2HD2 LEU 41 -2.592 8.297 -6.527 348 HD23 LEU 41 3HD2 LEU 41 -3.786 7.344 -7.412 349 H GLN 42 H GLN 42 -5.692 9.579 -1.937 350 HA GLN 42 HA GLN 42 -4.067 11.310 -0.449 351 HB2 GLN 42 2HB GLN 42 -6.514 11.541 -0.490 352 HB3 GLN 42 1HB GLN 42 -6.708 10.009 0.361 353 HG2 GLN 42 2HG GLN 42 -5.601 10.955 2.345 354 HG3 GLN 42 1HG GLN 42 -5.364 12.487 1.505 355 HE21 GLN 42 1HE2 GLN 42 -6.819 11.890 3.987 356 HE22 GLN 42 2HE2 GLN 42 -8.427 12.469 3.738 357 H SER 43 H SER 43 -5.017 7.961 0.153 358 HA SER 43 HA SER 43 -4.011 7.661 2.773 359 HB2 SER 43 2HB SER 43 -4.462 5.563 0.611 360 HB3 SER 43 1HB SER 43 -4.236 5.232 2.333 361 HG SER 43 HG SER 43 -6.265 6.980 1.436 362 H ILE 44 H ILE 44 -2.610 6.593 -0.339 363 HA ILE 44 HA ILE 44 -0.258 5.483 0.745 364 HB ILE 44 HB ILE 44 -1.202 4.808 -1.430 365 HG12 ILE 44 2HG1 ILE 44 1.654 5.846 -1.748 366 HG13 ILE 44 1HG1 ILE 44 1.200 4.321 -0.992 367 HG21 ILE 44 1HG2 ILE 44 -0.221 7.459 -2.514 368 HG22 ILE 44 2HG2 ILE 44 -1.905 7.025 -2.224 369 HG23 ILE 44 3HG2 ILE 44 -0.973 6.157 -3.444 370 HD11 ILE 44 1HD1 ILE 44 1.987 3.950 -3.246 371 HD12 ILE 44 2HD1 ILE 44 0.777 5.052 -3.894 372 HD13 ILE 44 3HD1 ILE 44 0.278 3.538 -3.135 373 H GLU 45 H GLU 45 -0.959 8.745 -0.549 374 HA GLU 45 HA GLU 45 1.606 9.869 -0.256 375 HB2 GLU 45 2HB GLU 45 -1.160 11.107 -0.041 376 HB3 GLU 45 1HB GLU 45 0.298 12.066 0.175 377 HG2 GLU 45 2HG GLU 45 -0.378 10.489 -2.308 378 HG3 GLU 45 1HG GLU 45 -0.661 12.212 -2.106 379 H THR 46 H THR 46 -1.104 9.740 2.095 380 HA THR 46 HA THR 46 0.049 11.143 4.199 381 HB THR 46 HB THR 46 -1.974 8.855 4.338 382 HG1 THR 46 HG1 THR 46 -2.344 11.023 3.183 383 HG21 THR 46 1HG2 THR 46 -2.669 9.794 6.530 384 HG22 THR 46 2HG2 THR 46 -1.344 10.953 6.458 385 HG23 THR 46 3HG2 THR 46 -0.998 9.228 6.591 386 H VAL 47 H VAL 47 0.451 7.754 3.286 387 HA VAL 47 HA VAL 47 1.905 6.949 5.641 388 HB VAL 47 HB VAL 47 1.810 5.566 2.921 389 HG11 VAL 47 1HG1 VAL 47 2.362 3.509 4.183 390 HG12 VAL 47 2HG1 VAL 47 2.508 4.452 5.669 391 HG13 VAL 47 3HG1 VAL 47 3.634 4.723 4.338 392 HG21 VAL 47 1HG2 VAL 47 -0.451 5.929 3.774 393 HG22 VAL 47 2HG2 VAL 47 -0.014 5.212 5.322 394 HG23 VAL 47 3HG2 VAL 47 -0.038 4.218 3.865 395 H MET 48 H MET 48 2.893 7.764 2.266 396 HA MET 48 HA MET 48 5.685 7.283 2.702 397 HB2 MET 48 2HB MET 48 4.279 8.809 0.469 398 HB3 MET 48 1HB MET 48 6.008 8.487 0.491 399 HG2 MET 48 2HG MET 48 5.449 6.021 0.576 400 HG3 MET 48 1HG MET 48 3.770 6.468 0.281 401 HE1 MET 48 1HE MET 48 3.928 8.861 -1.806 402 HE2 MET 48 2HE MET 48 2.877 7.467 -2.084 403 HE3 MET 48 3HE MET 48 3.981 8.011 -3.351 404 H GLU 49 H GLU 49 3.662 10.107 3.059 405 HA GLU 49 HA GLU 49 5.750 12.052 3.459 406 HB2 GLU 49 2HB GLU 49 2.793 12.118 4.221 407 HB3 GLU 49 1HB GLU 49 3.887 13.495 4.312 408 HG2 GLU 49 2HG GLU 49 4.167 13.464 1.868 409 HG3 GLU 49 1HG GLU 49 3.128 12.044 1.761 410 H LYS 50 H LYS 50 4.358 9.577 5.370 411 HA LYS 50 HA LYS 50 4.859 10.911 7.929 412 HB2 LYS 50 2HB LYS 50 2.725 9.518 7.388 413 HB3 LYS 50 1HB LYS 50 3.742 8.096 7.572 414 HG2 LYS 50 2HG LYS 50 2.505 8.565 9.629 415 HG3 LYS 50 1HG LYS 50 4.241 8.740 9.896 416 HD2 LYS 50 2HD LYS 50 3.085 10.541 11.041 417 HD3 LYS 50 1HD LYS 50 3.986 11.222 9.689 418 HE2 LYS 50 2HE LYS 50 1.010 10.597 9.568 419 HE3 LYS 50 1HE LYS 50 1.652 12.162 10.041 420 HZ1 LYS 50 1HZ LYS 50 2.743 12.261 7.828 421 HZ2 LYS 50 2HZ LYS 50 1.057 12.278 7.771 422 HZ3 LYS 50 3HZ LYS 50 1.897 10.866 7.381 423 H GLN 51 H GLN 51 6.405 10.272 9.338 424 HA GLN 51 HA GLN 51 8.585 8.601 8.460 425 HB2 GLN 51 2HB GLN 51 8.980 10.634 9.806 426 HB3 GLN 51 1HB GLN 51 8.035 9.967 11.134 427 HG2 GLN 51 2HG GLN 51 9.705 8.167 11.419 428 HG3 GLN 51 1HG GLN 51 10.648 8.828 10.078 429 HE21 GLN 51 1HE2 GLN 51 11.792 10.765 10.394 430 HE22 GLN 51 2HE2 GLN 51 12.099 11.412 11.966 431 H THR 52 H THR 52 9.055 6.565 9.196 432 HA THR 52 HA THR 52 6.960 4.932 10.258 433 HB THR 52 HB THR 52 9.902 4.256 9.824 434 HG1 THR 52 HG1 THR 52 7.996 4.854 8.055 435 HG21 THR 52 1HG2 THR 52 9.117 1.916 9.686 436 HG22 THR 52 2HG2 THR 52 7.471 2.443 10.032 437 HG23 THR 52 3HG2 THR 52 8.725 2.609 11.263 438 HA PRO 53 HA PRO 53 8.033 5.567 14.659 439 HB2 PRO 53 2HB PRO 53 6.385 3.082 15.066 440 HB3 PRO 53 1HB PRO 53 6.169 4.704 15.758 441 HG2 PRO 53 2HG PRO 53 4.512 3.821 13.875 442 HG3 PRO 53 1HG PRO 53 5.050 5.519 13.873 443 HD2 PRO 53 2HD PRO 53 6.075 3.212 12.209 444 HD3 PRO 53 1HD PRO 53 5.644 4.865 11.704 445 HA PRO 54 HA PRO 54 11.498 2.826 15.436 446 HB2 PRO 54 2HB PRO 54 10.754 2.918 18.358 447 HB3 PRO 54 1HB PRO 54 12.266 3.401 17.556 448 HG2 PRO 54 2HG PRO 54 10.580 5.244 18.468 449 HG3 PRO 54 1HG PRO 54 11.441 5.487 16.930 450 HD2 PRO 54 2HD PRO 54 8.587 4.632 17.379 451 HD3 PRO 54 1HD PRO 54 9.251 5.783 16.196 452 H GLY 55 H GLY 55 8.605 2.065 17.363 453 HA2 GLY 55 2HA GLY 55 9.300 -0.567 18.108 454 HA3 GLY 55 1HA GLY 55 7.709 0.161 18.211 455 H ILE 56 H ILE 56 9.931 -1.537 16.079 456 HA ILE 56 HA ILE 56 7.631 -2.741 14.638 457 HB ILE 56 HB ILE 56 10.469 -2.327 13.554 458 HG12 ILE 56 2HG1 ILE 56 7.875 -0.921 12.745 459 HG13 ILE 56 1HG1 ILE 56 9.197 -0.190 13.649 460 HG21 ILE 56 1HG2 ILE 56 8.004 -3.477 12.172 461 HG22 ILE 56 2HG2 ILE 56 9.428 -4.388 12.682 462 HG23 ILE 56 3HG2 ILE 56 9.569 -3.181 11.407 463 HD11 ILE 56 1HD1 ILE 56 9.298 -1.166 10.802 464 HD12 ILE 56 2HD1 ILE 56 10.675 -0.529 11.707 465 HD13 ILE 56 3HD1 ILE 56 9.292 0.503 11.366 466 H THR 57 H THR 57 7.366 -4.594 15.785 467 HA THR 57 HA THR 57 9.630 -6.301 16.526 468 HB THR 57 HB THR 57 7.925 -7.692 17.660 469 HG1 THR 57 HG1 THR 57 5.877 -7.525 17.114 470 HG21 THR 57 1HG2 THR 57 7.146 -6.075 19.368 471 HG22 THR 57 2HG2 THR 57 7.546 -4.736 18.290 472 HG23 THR 57 3HG2 THR 57 8.828 -5.765 18.931 473 H ARG 58 H ARG 58 8.790 -8.796 16.169 474 HA ARG 58 HA ARG 58 9.167 -9.410 13.458 475 HB2 ARG 58 2HB ARG 58 9.794 -10.897 15.310 476 HB3 ARG 58 1HB ARG 58 8.114 -11.112 15.765 477 HG2 ARG 58 2HG ARG 58 8.920 -11.949 12.989 478 HG3 ARG 58 1HG ARG 58 9.470 -12.943 14.333 479 HD2 ARG 58 2HD ARG 58 7.100 -13.198 15.068 480 HD3 ARG 58 1HD ARG 58 6.588 -12.267 13.657 481 HE ARG 58 HE ARG 58 8.194 -14.493 12.904 482 HH11 ARG 58 1HH1 ARG 58 4.919 -13.656 13.881 483 HH12 ARG 58 2HH1 ARG 58 4.204 -15.025 13.096 484 HH21 ARG 58 1HH2 ARG 58 7.228 -16.314 11.896 485 HH22 ARG 58 2HH2 ARG 58 5.509 -16.520 11.978 486 H SER 59 H SER 59 6.193 -9.619 15.443 487 HA SER 59 HA SER 59 4.422 -10.458 13.408 488 HB2 SER 59 2HB SER 59 2.632 -9.688 15.014 489 HB3 SER 59 1HB SER 59 3.849 -10.724 15.758 490 HG SER 59 HG SER 59 3.112 -8.358 16.560 491 H ILE 60 H ILE 60 5.344 -7.250 14.560 492 HA ILE 60 HA ILE 60 3.490 -5.695 13.110 493 HB ILE 60 HB ILE 60 6.207 -5.017 14.306 494 HG12 ILE 60 2HG1 ILE 60 3.381 -4.238 15.176 495 HG13 ILE 60 1HG1 ILE 60 4.309 -5.563 15.867 496 HG21 ILE 60 1HG2 ILE 60 5.691 -2.609 13.971 497 HG22 ILE 60 2HG2 ILE 60 4.282 -3.055 13.009 498 HG23 ILE 60 3HG2 ILE 60 5.899 -3.462 12.439 499 HD11 ILE 60 1HD1 ILE 60 4.348 -3.605 17.290 500 HD12 ILE 60 2HD1 ILE 60 5.058 -2.644 15.994 501 HD13 ILE 60 3HD1 ILE 60 5.962 -3.986 16.701 502 H GLN 61 H GLN 61 6.856 -6.693 12.303 503 HA GLN 61 HA GLN 61 6.873 -5.278 9.806 504 HB2 GLN 61 2HB GLN 61 9.029 -6.231 9.382 505 HB3 GLN 61 1HB GLN 61 8.959 -5.870 11.100 506 HG2 GLN 61 2HG GLN 61 8.513 -8.255 11.572 507 HG3 GLN 61 1HG GLN 61 8.629 -8.607 9.850 508 HE21 GLN 61 1HE2 GLN 61 10.229 -9.706 11.990 509 HE22 GLN 61 2HE2 GLN 61 11.868 -9.296 11.640 510 H ASP 62 H ASP 62 5.856 -8.505 10.775 511 HA ASP 62 HA ASP 62 5.586 -9.637 8.184 512 HB2 ASP 62 2HB ASP 62 4.135 -10.195 10.789 513 HB3 ASP 62 1HB ASP 62 3.742 -11.079 9.319 514 H MET 63 H MET 63 3.234 -7.861 10.204 515 HA MET 63 HA MET 63 1.128 -7.859 8.290 516 HB2 MET 63 2HB MET 63 1.642 -5.996 10.643 517 HB3 MET 63 1HB MET 63 0.166 -5.984 9.686 518 HG2 MET 63 2HG MET 63 -0.290 -8.314 10.359 519 HG3 MET 63 1HG MET 63 1.178 -8.313 11.337 520 HE1 MET 63 1HE MET 63 1.153 -5.378 12.657 521 HE2 MET 63 2HE MET 63 1.500 -6.865 13.538 522 HE3 MET 63 3HE MET 63 0.300 -5.734 14.159 523 H VAL 64 H VAL 64 3.685 -5.471 9.007 524 HA VAL 64 HA VAL 64 2.821 -3.433 7.235 525 HB VAL 64 HB VAL 64 5.564 -3.994 8.468 526 HG11 VAL 64 1HG1 VAL 64 4.735 -1.554 6.852 527 HG12 VAL 64 2HG1 VAL 64 5.930 -2.763 6.381 528 HG13 VAL 64 3HG1 VAL 64 6.239 -1.717 7.765 529 HG21 VAL 64 1HG2 VAL 64 3.803 -3.344 10.074 530 HG22 VAL 64 2HG2 VAL 64 3.471 -1.887 9.140 531 HG23 VAL 64 3HG2 VAL 64 5.030 -2.083 9.942 532 H ALA 65 H ALA 65 5.649 -5.657 6.883 533 HA ALA 65 HA ALA 65 6.167 -5.008 4.179 534 HB1 ALA 65 1HB ALA 65 7.717 -6.909 4.181 535 HB2 ALA 65 2HB ALA 65 6.997 -7.523 5.675 536 HB3 ALA 65 3HB ALA 65 7.868 -5.993 5.677 537 H GLY 66 H GLY 66 4.107 -7.428 5.685 538 HA2 GLY 66 2HA GLY 66 3.497 -9.076 3.485 539 HA3 GLY 66 1HA GLY 66 2.433 -8.754 4.854 540 H TYR 67 H TYR 67 1.777 -6.211 4.737 541 HA TYR 67 HA TYR 67 -0.103 -6.077 2.622 542 HB2 TYR 67 2HB TYR 67 0.722 -4.062 4.739 543 HB3 TYR 67 1HB TYR 67 -0.507 -3.692 3.534 544 HD1 TYR 67 HD1 TYR 67 -1.745 -6.569 3.463 545 HD2 TYR 67 HD2 TYR 67 -0.759 -3.894 6.641 546 HE1 TYR 67 HE1 TYR 67 -3.505 -7.569 4.852 547 HE2 TYR 67 HE2 TYR 67 -2.520 -4.890 8.000 548 HH TYR 67 HH TYR 67 -4.053 -7.818 7.209 549 H ILE 68 H ILE 68 3.079 -4.570 3.076 550 HA ILE 68 HA ILE 68 3.003 -2.736 0.944 551 HB ILE 68 HB ILE 68 5.463 -4.255 1.963 552 HG12 ILE 68 2HG1 ILE 68 4.479 -1.437 2.643 553 HG13 ILE 68 1HG1 ILE 68 4.398 -2.830 3.712 554 HG21 ILE 68 1HG2 ILE 68 6.807 -2.469 0.863 555 HG22 ILE 68 2HG2 ILE 68 5.331 -1.778 0.188 556 HG23 ILE 68 3HG2 ILE 68 5.858 -3.386 -0.310 557 HD11 ILE 68 1HD1 ILE 68 6.925 -1.536 2.697 558 HD12 ILE 68 2HD1 ILE 68 6.835 -2.928 3.779 559 HD13 ILE 68 3HD1 ILE 68 6.230 -1.360 4.309 560 H LYS 69 H LYS 69 4.281 -6.084 1.041 561 HA LYS 69 HA LYS 69 4.961 -6.409 -1.634 562 HB2 LYS 69 2HB LYS 69 5.673 -8.009 0.077 563 HB3 LYS 69 1HB LYS 69 4.006 -8.466 0.407 564 HG2 LYS 69 2HG LYS 69 5.157 -10.208 -0.881 565 HG3 LYS 69 1HG LYS 69 3.831 -9.517 -1.816 566 HD2 LYS 69 2HD LYS 69 5.450 -8.124 -3.072 567 HD3 LYS 69 1HD LYS 69 6.778 -8.829 -2.147 568 HE2 LYS 69 2HE LYS 69 6.354 -11.022 -3.113 569 HE3 LYS 69 1HE LYS 69 4.883 -10.437 -3.902 570 HZ1 LYS 69 1HZ LYS 69 7.633 -9.465 -4.486 571 HZ2 LYS 69 2HZ LYS 69 6.217 -8.974 -5.267 572 HZ3 LYS 69 3HZ LYS 69 6.763 -10.563 -5.432 573 H GLN 70 H GLN 70 1.887 -7.182 0.004 574 HA GLN 70 HA GLN 70 0.466 -8.254 -2.150 575 HB2 GLN 70 2HB GLN 70 -0.521 -6.768 0.312 576 HB3 GLN 70 1HB GLN 70 -1.603 -7.574 -0.823 577 HG2 GLN 70 2HG GLN 70 -0.627 -9.736 -0.308 578 HG3 GLN 70 1HG GLN 70 0.607 -8.985 0.700 579 HE21 GLN 70 1HE2 GLN 70 -2.748 -9.932 0.516 580 HE22 GLN 70 2HE2 GLN 70 -3.111 -9.693 2.189 581 H THR 71 H THR 71 0.741 -4.845 -1.064 582 HA THR 71 HA THR 71 -1.140 -3.968 -3.081 583 HB THR 71 HB THR 71 -1.150 -2.842 -0.887 584 HG1 THR 71 HG1 THR 71 -0.571 -1.233 -3.175 585 HG21 THR 71 1HG2 THR 71 1.288 -2.732 -0.417 586 HG22 THR 71 2HG2 THR 71 0.486 -1.169 -0.262 587 HG23 THR 71 3HG2 THR 71 1.462 -1.525 -1.695 588 H LEU 72 H LEU 72 2.306 -4.402 -2.917 589 HA LEU 72 HA LEU 72 2.988 -2.712 -5.136 590 HB2 LEU 72 2HB LEU 72 4.429 -5.213 -4.133 591 HB3 LEU 72 1HB LEU 72 5.055 -4.117 -5.354 592 HG LEU 72 HG LEU 72 4.708 -3.600 -2.396 593 HD11 LEU 72 1HD1 LEU 72 7.110 -3.160 -2.413 594 HD12 LEU 72 2HD1 LEU 72 7.172 -3.475 -4.149 595 HD13 LEU 72 3HD1 LEU 72 6.756 -4.773 -3.031 596 HD21 LEU 72 1HD2 LEU 72 3.882 -1.619 -3.471 597 HD22 LEU 72 2HD2 LEU 72 5.301 -1.539 -4.523 598 HD23 LEU 72 3HD2 LEU 72 5.473 -1.289 -2.786 599 H ASP 73 H ASP 73 2.094 -6.143 -4.778 600 HA ASP 73 HA ASP 73 2.155 -6.842 -7.516 601 HB2 ASP 73 2HB ASP 73 0.586 -7.998 -5.171 602 HB3 ASP 73 1HB ASP 73 0.395 -8.636 -6.803 603 H ASN 74 H ASN 74 -0.529 -5.658 -5.476 604 HA ASN 74 HA ASN 74 -2.554 -5.673 -7.424 605 HB2 ASN 74 2HB ASN 74 -2.298 -3.790 -5.040 606 HB3 ASN 74 1HB ASN 74 -3.773 -4.094 -5.952 607 HD21 ASN 74 1HD2 ASN 74 -3.305 -4.461 -3.115 608 HD22 ASN 74 2HD2 ASN 74 -3.612 -6.125 -2.777 609 H GLU 75 H GLU 75 -0.477 -2.995 -6.333 610 HA GLU 75 HA GLU 75 -1.265 -0.892 -7.963 611 HB2 GLU 75 2HB GLU 75 0.239 -0.497 -6.103 612 HB3 GLU 75 1HB GLU 75 1.415 -1.647 -6.724 613 HG2 GLU 75 2HG GLU 75 2.312 0.563 -6.982 614 HG3 GLU 75 1HG GLU 75 1.935 -0.060 -8.585 615 H GLN 76 H GLN 76 1.372 -3.241 -8.578 616 HA GLN 76 HA GLN 76 2.178 -2.015 -11.030 617 HB2 GLN 76 2HB GLN 76 3.713 -3.277 -9.503 618 HB3 GLN 76 1HB GLN 76 2.905 -4.775 -9.959 619 HG2 GLN 76 2HG GLN 76 3.616 -4.468 -12.285 620 HG3 GLN 76 1HG GLN 76 4.390 -2.940 -11.865 621 HE21 GLN 76 1HE2 GLN 76 4.503 -5.888 -9.906 622 HE22 GLN 76 2HE2 GLN 76 6.189 -6.166 -10.120 623 H LEU 77 H LEU 77 0.291 -4.946 -10.244 624 HA LEU 77 HA LEU 77 -0.048 -5.925 -12.882 625 HB2 LEU 77 2HB LEU 77 -1.772 -6.270 -10.396 626 HB3 LEU 77 1HB LEU 77 -2.115 -7.094 -11.909 627 HG LEU 77 HG LEU 77 0.408 -7.457 -10.244 628 HD11 LEU 77 1HD1 LEU 77 -1.948 -9.344 -10.612 629 HD12 LEU 77 2HD1 LEU 77 -1.561 -8.428 -9.154 630 HD13 LEU 77 3HD1 LEU 77 -0.466 -9.688 -9.710 631 HD21 LEU 77 1HD2 LEU 77 -0.441 -8.900 -12.776 632 HD22 LEU 77 2HD2 LEU 77 0.960 -9.295 -11.775 633 HD23 LEU 77 3HD2 LEU 77 0.892 -7.752 -12.617 634 H LEU 78 H LEU 78 -1.957 -3.616 -10.943 635 HA LEU 78 HA LEU 78 -4.008 -3.146 -12.826 636 HB2 LEU 78 2HB LEU 78 -2.890 -1.393 -10.603 637 HB3 LEU 78 1HB LEU 78 -4.229 -0.870 -11.617 638 HG LEU 78 HG LEU 78 -4.218 -3.277 -9.763 639 HD11 LEU 78 1HD1 LEU 78 -5.815 -0.706 -9.619 640 HD12 LEU 78 2HD1 LEU 78 -4.444 -1.140 -8.591 641 HD13 LEU 78 3HD1 LEU 78 -5.933 -2.078 -8.512 642 HD21 LEU 78 1HD2 LEU 78 -5.472 -3.831 -11.757 643 HD22 LEU 78 2HD2 LEU 78 -6.396 -2.330 -11.644 644 HD23 LEU 78 3HD2 LEU 78 -6.576 -3.577 -10.409 645 H LYS 79 H LYS 79 -0.900 -1.447 -12.327 646 HA LYS 79 HA LYS 79 -1.282 0.545 -14.302 647 HB2 LYS 79 2HB LYS 79 1.308 -0.580 -13.137 648 HB3 LYS 79 1HB LYS 79 1.221 0.866 -14.137 649 HG2 LYS 79 2HG LYS 79 -0.031 0.490 -11.404 650 HG3 LYS 79 1HG LYS 79 1.368 1.493 -11.792 651 HD2 LYS 79 2HD LYS 79 -0.057 2.955 -13.188 652 HD3 LYS 79 1HD LYS 79 -1.460 1.940 -12.837 653 HE2 LYS 79 2HE LYS 79 0.127 3.522 -10.792 654 HE3 LYS 79 1HE LYS 79 -1.432 3.981 -11.470 655 HZ1 LYS 79 1HZ LYS 79 -1.711 2.992 -9.321 656 HZ2 LYS 79 2HZ LYS 79 -0.877 1.605 -9.789 657 HZ3 LYS 79 3HZ LYS 79 -2.373 1.967 -10.491 658 H GLY 80 H GLY 80 0.017 -2.705 -14.459 659 HA2 GLY 80 2HA GLY 80 0.991 -2.604 -17.164 660 HA3 GLY 80 1HA GLY 80 0.741 -4.046 -16.186 661 H LEU 81 H LEU 81 -2.010 -3.603 -15.597 662 HA LEU 81 HA LEU 81 -3.279 -4.779 -17.854 663 HB2 LEU 81 2HB LEU 81 -3.841 -4.818 -15.224 664 HB3 LEU 81 1HB LEU 81 -4.914 -3.499 -15.642 665 HG LEU 81 HG LEU 81 -5.035 -6.341 -16.758 666 HD11 LEU 81 1HD1 LEU 81 -6.872 -4.942 -14.788 667 HD12 LEU 81 2HD1 LEU 81 -5.720 -6.230 -14.422 668 HD13 LEU 81 3HD1 LEU 81 -7.104 -6.561 -15.458 669 HD21 LEU 81 1HD2 LEU 81 -6.849 -3.977 -17.340 670 HD22 LEU 81 2HD2 LEU 81 -7.216 -5.656 -17.769 671 HD23 LEU 81 3HD2 LEU 81 -5.820 -4.849 -18.479 672 H LEU 82 H LEU 82 -3.120 -1.517 -16.525 673 HA LEU 82 HA LEU 82 -5.086 -0.202 -17.984 674 HB2 LEU 82 2HB LEU 82 -2.425 0.837 -16.913 675 HB3 LEU 82 1HB LEU 82 -3.634 1.886 -17.634 676 HG LEU 82 HG LEU 82 -3.918 0.299 -15.063 677 HD11 LEU 82 1HD1 LEU 82 -2.546 2.291 -14.808 678 HD12 LEU 82 2HD1 LEU 82 -4.087 2.503 -13.982 679 HD13 LEU 82 3HD1 LEU 82 -3.805 3.292 -15.537 680 HD21 LEU 82 1HD2 LEU 82 -6.048 0.252 -16.214 681 HD22 LEU 82 2HD2 LEU 82 -5.996 2.006 -16.446 682 HD23 LEU 82 3HD2 LEU 82 -6.135 1.333 -14.820 683 H GLN 83 H GLN 83 -1.722 -0.936 -18.840 684 HA GLN 83 HA GLN 83 -0.476 -0.781 -20.712 685 HB2 GLN 83 2HB GLN 83 -2.430 -1.941 -21.778 686 HB3 GLN 83 1HB GLN 83 -3.111 -0.377 -22.202 687 HG2 GLN 83 2HG GLN 83 -1.107 0.057 -23.636 688 HG3 GLN 83 1HG GLN 83 -0.524 -1.565 -23.250 689 HE21 GLN 83 1HE2 GLN 83 -1.609 -3.360 -24.142 690 HE22 GLN 83 2HE2 GLN 83 -2.721 -3.219 -25.455 691 H GLN 84 H GLN 84 -1.851 1.694 -19.272 692 HA GLN 84 HA GLN 84 -1.468 3.841 -21.231 693 HB2 GLN 84 2HB GLN 84 -2.600 3.933 -18.390 694 HB3 GLN 84 1HB GLN 84 -2.575 5.273 -19.528 695 HG2 GLN 84 2HG GLN 84 -4.162 2.714 -19.820 696 HG3 GLN 84 1HG GLN 84 -4.798 4.299 -19.371 697 HE21 GLN 84 1HE2 GLN 84 -4.831 5.961 -21.000 698 HE22 GLN 84 2HE2 GLN 84 -4.823 5.559 -22.682 699 H ARG 85 H ARG 85 -0.443 5.850 -20.354 700 HA ARG 85 HA ARG 85 2.136 5.484 -19.212 701 HB2 ARG 85 2HB ARG 85 0.502 8.062 -19.449 702 HB3 ARG 85 1HB ARG 85 2.236 7.963 -19.185 703 HG2 ARG 85 2HG ARG 85 0.793 7.059 -21.694 704 HG3 ARG 85 1HG ARG 85 1.662 8.580 -21.503 705 HD2 ARG 85 2HD ARG 85 3.764 7.337 -21.166 706 HD3 ARG 85 1HD ARG 85 2.887 5.812 -21.338 707 HE ARG 85 HE ARG 85 2.598 7.611 -23.580 708 HH11 ARG 85 1HH1 ARG 85 4.544 4.983 -22.260 709 HH12 ARG 85 2HH1 ARG 85 5.166 4.508 -23.809 710 HH21 ARG 85 1HH2 ARG 85 3.429 6.972 -25.604 711 HH22 ARG 85 2HH2 ARG 85 4.532 5.632 -25.699 712 H LEU 86 H LEU 86 2.853 6.421 -17.159 713 HA LEU 86 HA LEU 86 1.156 5.573 -14.991 714 HB2 LEU 86 2HB LEU 86 3.993 6.682 -15.010 715 HB3 LEU 86 1HB LEU 86 3.183 6.049 -13.587 716 HG LEU 86 HG LEU 86 3.863 4.412 -16.065 717 HD11 LEU 86 1HD1 LEU 86 5.236 4.436 -13.353 718 HD12 LEU 86 2HD1 LEU 86 5.886 5.098 -14.854 719 HD13 LEU 86 3HD1 LEU 86 5.614 3.365 -14.708 720 HD21 LEU 86 1HD2 LEU 86 3.232 2.453 -14.730 721 HD22 LEU 86 2HD2 LEU 86 1.870 3.555 -14.901 722 HD23 LEU 86 3HD2 LEU 86 2.768 3.494 -13.380 723 H ASP 87 H ASP 87 -0.447 7.240 -15.460 724 HA ASP 87 HA ASP 87 -0.123 9.482 -13.610 725 HB2 ASP 87 2HB ASP 87 -1.287 11.069 -15.145 726 HB3 ASP 87 1HB ASP 87 0.247 10.541 -15.812 727 H GLU 88 H GLU 88 -2.286 7.563 -15.682 728 HA GLU 88 HA GLU 88 -4.649 7.961 -14.153 729 HB2 GLU 88 2HB GLU 88 -3.930 5.771 -16.141 730 HB3 GLU 88 1HB GLU 88 -5.532 5.987 -15.437 731 HG2 GLU 88 2HG GLU 88 -5.504 8.347 -16.414 732 HG3 GLU 88 1HG GLU 88 -4.058 7.860 -17.300 733 H LEU 89 H LEU 89 -5.219 7.115 -12.278 734 HA LEU 89 HA LEU 89 -5.221 6.026 -10.308 735 HB2 LEU 89 2HB LEU 89 -4.080 3.686 -11.871 736 HB3 LEU 89 1HB LEU 89 -4.778 3.583 -10.264 737 HG LEU 89 HG LEU 89 -6.316 4.347 -12.786 738 HD11 LEU 89 1HD1 LEU 89 -6.341 1.738 -11.240 739 HD12 LEU 89 2HD1 LEU 89 -5.627 1.999 -12.834 740 HD13 LEU 89 3HD1 LEU 89 -7.369 2.144 -12.618 741 HD21 LEU 89 1HD2 LEU 89 -8.344 4.150 -11.404 742 HD22 LEU 89 2HD2 LEU 89 -7.272 5.403 -10.783 743 HD23 LEU 89 3HD2 LEU 89 -7.352 3.836 -9.977 744 H SER 90 H SER 90 -2.653 7.322 -11.470 745 HA SER 90 HA SER 90 -0.659 6.200 -9.595 746 HB2 SER 90 2HB SER 90 -0.046 7.904 -12.040 747 HB3 SER 90 1HB SER 90 1.074 6.947 -11.076 748 HG SER 90 HG SER 90 -1.033 5.901 -12.649 749 H SER 91 H SER 91 -0.937 9.347 -11.302 750 HA SER 91 HA SER 91 -0.609 11.471 -10.631 751 HB2 SER 91 2HB SER 91 -2.953 11.122 -9.911 752 HB3 SER 91 1HB SER 91 -2.402 10.588 -8.322 753 HG SER 91 HG SER 91 -2.632 13.141 -9.357 754 H LEU 92 H LEU 92 -0.774 11.463 -7.236 755 HA LEU 92 HA LEU 92 0.717 11.745 -5.549 756 HB2 LEU 92 2HB LEU 92 2.155 9.415 -6.859 757 HB3 LEU 92 1HB LEU 92 2.230 9.875 -5.170 758 HG LEU 92 HG LEU 92 -0.141 8.669 -6.615 759 HD11 LEU 92 1HD1 LEU 92 1.582 7.523 -4.407 760 HD12 LEU 92 2HD1 LEU 92 1.642 7.071 -6.113 761 HD13 LEU 92 3HD1 LEU 92 0.193 6.741 -5.170 762 HD21 LEU 92 1HD2 LEU 92 -1.320 8.654 -4.477 763 HD22 LEU 92 2HD2 LEU 92 -0.967 10.294 -5.005 764 HD23 LEU 92 3HD2 LEU 92 0.004 9.551 -3.731 765 H ILE 93 H ILE 93 3.575 11.069 -5.526 766 HA ILE 93 HA ILE 93 4.997 13.227 -6.492 767 HB ILE 93 HB ILE 93 6.030 10.350 -6.306 768 HG12 ILE 93 2HG1 ILE 93 5.954 12.454 -4.085 769 HG13 ILE 93 1HG1 ILE 93 4.864 11.081 -4.203 770 HG21 ILE 93 1HG2 ILE 93 7.528 12.996 -6.123 771 HG22 ILE 93 2HG2 ILE 93 7.611 11.833 -7.447 772 HG23 ILE 93 3HG2 ILE 93 8.243 11.401 -5.860 773 HD11 ILE 93 1HD1 ILE 93 7.851 10.917 -3.802 774 HD12 ILE 93 2HD1 ILE 93 6.741 9.547 -3.908 775 HD13 ILE 93 3HD1 ILE 93 6.606 10.691 -2.574 776 H GLY 94 H GLY 94 5.074 13.967 -8.532 777 HA2 GLY 94 2HA GLY 94 4.379 12.405 -10.856 778 HA3 GLY 94 1HA GLY 94 4.815 14.108 -10.814 779 H GLN 95 H GLN 95 7.304 12.728 -9.264 780 HA GLN 95 HA GLN 95 9.151 12.562 -11.431 781 HB2 GLN 95 2HB GLN 95 9.803 13.146 -9.094 782 HB3 GLN 95 1HB GLN 95 9.388 11.523 -8.567 783 HG2 GLN 95 2HG GLN 95 11.201 10.589 -9.932 784 HG3 GLN 95 1HG GLN 95 11.588 12.196 -10.542 785 HE21 GLN 95 1HE2 GLN 95 10.768 11.576 -7.151 786 HE22 GLN 95 2HE2 GLN 95 12.348 11.874 -6.536 787 H SER 96 H SER 96 6.772 10.440 -10.309 788 HA SER 96 HA SER 96 6.007 8.456 -10.997 789 HB2 SER 96 2HB SER 96 6.786 9.122 -13.286 790 HB3 SER 96 1HB SER 96 8.334 8.341 -12.967 791 HG SER 96 HG SER 96 7.379 6.386 -13.038 792 H THR 97 H THR 97 8.219 8.864 -8.970 793 HA THR 97 HA THR 97 9.582 6.300 -8.842 794 HB THR 97 HB THR 97 10.694 8.468 -8.179 795 HG1 THR 97 HG1 THR 97 10.509 6.563 -6.053 796 HG21 THR 97 1HG2 THR 97 8.847 8.349 -5.760 797 HG22 THR 97 2HG2 THR 97 8.783 9.559 -7.044 798 HG23 THR 97 3HG2 THR 97 10.190 9.478 -5.984 799 H ARG 98 H ARG 98 6.517 6.532 -8.490 800 HA ARG 98 HA ARG 98 5.805 6.525 -5.738 801 HB2 ARG 98 2HB ARG 98 4.295 5.574 -8.212 802 HB3 ARG 98 1HB ARG 98 3.552 5.820 -6.629 803 HG2 ARG 98 2HG ARG 98 3.816 8.169 -6.728 804 HG3 ARG 98 1HG ARG 98 5.019 8.076 -8.018 805 HD2 ARG 98 2HD ARG 98 2.132 7.225 -8.414 806 HD3 ARG 98 1HD ARG 98 2.706 8.866 -8.710 807 HE ARG 98 HE ARG 98 3.722 6.474 -10.135 808 HH11 ARG 98 1HH1 ARG 98 2.795 9.880 -10.152 809 HH12 ARG 98 2HH1 ARG 98 3.171 10.095 -11.838 810 HH21 ARG 98 1HH2 ARG 98 4.282 6.825 -12.322 811 HH22 ARG 98 2HH2 ARG 98 4.002 8.379 -13.048 812 H GLN 99 H GLN 99 5.639 3.863 -8.127 813 HA GLN 99 HA GLN 99 5.135 1.772 -6.296 814 HB2 GLN 99 2HB GLN 99 4.657 1.584 -8.713 815 HB3 GLN 99 1HB GLN 99 6.376 1.696 -9.083 816 HG2 GLN 99 2HG GLN 99 6.705 -0.437 -7.769 817 HG3 GLN 99 1HG GLN 99 4.949 -0.574 -7.667 818 HE21 GLN 99 1HE2 GLN 99 6.989 -2.290 -8.959 819 HE22 GLN 99 2HE2 GLN 99 6.493 -2.443 -10.605 820 H LYS 100 H LYS 100 8.074 3.150 -7.645 821 HA LYS 100 HA LYS 100 9.966 1.327 -6.573 822 HB2 LYS 100 2HB LYS 100 10.384 2.877 -8.512 823 HB3 LYS 100 1HB LYS 100 10.388 4.241 -7.395 824 HG2 LYS 100 2HG LYS 100 12.310 3.140 -6.191 825 HG3 LYS 100 1HG LYS 100 12.350 1.934 -7.478 826 HD2 LYS 100 2HD LYS 100 12.839 3.722 -9.130 827 HD3 LYS 100 1HD LYS 100 12.790 4.922 -7.828 828 HE2 LYS 100 2HE LYS 100 14.768 2.639 -8.127 829 HE3 LYS 100 1HE LYS 100 15.103 4.363 -8.275 830 HZ1 LYS 100 1HZ LYS 100 14.157 3.064 -5.780 831 HZ2 LYS 100 2HZ LYS 100 14.680 4.662 -5.952 832 HZ3 LYS 100 3HZ LYS 100 15.774 3.388 -6.122 833 H SER 101 H SER 101 8.267 4.058 -5.231 834 HA SER 101 HA SER 101 10.091 4.672 -3.091 835 HB2 SER 101 2HB SER 101 8.516 6.390 -3.933 836 HB3 SER 101 1HB SER 101 7.141 5.406 -3.441 837 HG SER 101 HG SER 101 7.315 6.307 -1.566 838 H LEU 102 H LEU 102 6.935 2.973 -3.340 839 HA LEU 102 HA LEU 102 6.981 1.979 -0.647 840 HB2 LEU 102 2HB LEU 102 5.390 1.164 -3.088 841 HB3 LEU 102 1HB LEU 102 5.270 0.267 -1.587 842 HG LEU 102 HG LEU 102 4.490 2.375 -0.445 843 HD11 LEU 102 1HD1 LEU 102 4.340 3.512 -3.246 844 HD12 LEU 102 2HD1 LEU 102 5.416 4.044 -1.951 845 HD13 LEU 102 3HD1 LEU 102 3.676 4.249 -1.784 846 HD21 LEU 102 1HD2 LEU 102 2.191 2.244 -1.324 847 HD22 LEU 102 2HD2 LEU 102 2.907 0.643 -1.162 848 HD23 LEU 102 3HD2 LEU 102 2.778 1.391 -2.755 849 H ASN 103 H ASN 103 8.352 0.776 -3.656 850 HA ASN 103 HA ASN 103 8.863 -1.905 -2.786 851 HB2 ASN 103 2HB ASN 103 8.762 -1.185 -5.202 852 HB3 ASN 103 1HB ASN 103 10.304 -0.364 -4.991 853 HD21 ASN 103 1HD2 ASN 103 8.726 -3.470 -5.191 854 HD22 ASN 103 2HD2 ASN 103 10.162 -4.405 -5.401 855 H ASN 104 H ASN 104 10.957 0.982 -3.098 856 HA ASN 104 HA ASN 104 13.210 -0.182 -1.761 857 HB2 ASN 104 2HB ASN 104 12.515 2.644 -2.626 858 HB3 ASN 104 1HB ASN 104 13.928 2.343 -1.616 859 HD21 ASN 104 1HD2 ASN 104 15.688 1.235 -2.489 860 HD22 ASN 104 2HD2 ASN 104 15.876 0.968 -4.186 861 H ALA 105 H ALA 105 10.305 1.376 -0.668 862 HA ALA 105 HA ALA 105 11.054 1.900 2.005 863 HB1 ALA 105 1HB ALA 105 8.938 2.701 1.044 864 HB2 ALA 105 2HB ALA 105 8.667 1.797 2.530 865 HB3 ALA 105 3HB ALA 105 8.326 1.048 0.967 866 H TYR 106 H TYR 106 9.619 -1.028 0.475 867 HA TYR 106 HA TYR 106 9.720 -2.776 2.677 868 HB2 TYR 106 2HB TYR 106 8.658 -3.165 0.348 869 HB3 TYR 106 1HB TYR 106 10.255 -3.617 -0.223 870 HD1 TYR 106 HD1 TYR 106 11.354 -5.443 1.747 871 HD2 TYR 106 HD2 TYR 106 7.272 -5.058 0.536 872 HE1 TYR 106 HE1 TYR 106 10.934 -7.755 2.430 873 HE2 TYR 106 HE2 TYR 106 6.865 -7.376 1.230 874 HH TYR 106 HH TYR 106 9.065 -9.141 3.126 875 H GLY 107 H GLY 107 12.185 -2.013 0.208 876 HA2 GLY 107 2HA GLY 107 14.222 -3.799 0.922 877 HA3 GLY 107 1HA GLY 107 14.454 -2.257 0.110 878 H ARG 108 H ARG 108 13.640 -0.472 2.041 879 HA ARG 108 HA ARG 108 15.928 -0.497 3.834 880 HB2 ARG 108 2HB ARG 108 15.419 1.794 4.326 881 HB3 ARG 108 1HB ARG 108 15.168 1.566 2.600 882 HG2 ARG 108 2HG ARG 108 12.697 1.315 3.089 883 HG3 ARG 108 1HG ARG 108 13.050 1.805 4.743 884 HD2 ARG 108 2HD ARG 108 14.001 3.939 3.850 885 HD3 ARG 108 1HD ARG 108 13.481 3.445 2.232 886 HE ARG 108 HE ARG 108 11.378 3.434 4.212 887 HH11 ARG 108 1HH1 ARG 108 13.033 5.404 1.821 888 HH12 ARG 108 2HH1 ARG 108 11.727 6.533 1.678 889 HH21 ARG 108 1HH2 ARG 108 9.729 4.990 4.113 890 HH22 ARG 108 2HH2 ARG 108 9.854 6.299 2.979 891 H LEU 109 H LEU 109 12.597 -1.432 4.056 892 HA LEU 109 HA LEU 109 12.329 -1.297 6.916 893 HB2 LEU 109 2HB LEU 109 10.328 -1.523 5.565 894 HB3 LEU 109 1HB LEU 109 10.926 -2.993 4.815 895 HG LEU 109 HG LEU 109 10.640 -4.230 6.935 896 HD11 LEU 109 1HD1 LEU 109 9.521 -3.257 8.888 897 HD12 LEU 109 2HD1 LEU 109 9.554 -1.661 8.132 898 HD13 LEU 109 3HD1 LEU 109 11.063 -2.466 8.567 899 HD21 LEU 109 1HD2 LEU 109 8.140 -2.711 6.136 900 HD22 LEU 109 2HD2 LEU 109 8.196 -4.249 7.005 901 HD23 LEU 109 3HD2 LEU 109 8.785 -4.156 5.349 902 H SER 110 H SER 110 13.388 -3.754 4.613 903 HA SER 110 HA SER 110 14.027 -5.772 6.523 904 HB2 SER 110 2HB SER 110 15.022 -5.438 3.656 905 HB3 SER 110 1HB SER 110 15.038 -6.928 4.604 906 HG SER 110 HG SER 110 12.864 -5.572 3.440 907 H GLY 111 H GLY 111 15.828 -3.116 4.961 908 HA2 GLY 111 2HA GLY 111 18.397 -3.993 6.073 909 HA3 GLY 111 1HA GLY 111 18.125 -2.644 4.994 910 H MET 112 H MET 112 16.599 -0.851 6.186 911 HA MET 112 HA MET 112 18.339 0.021 8.382 912 HB2 MET 112 2HB MET 112 18.061 1.561 6.524 913 HB3 MET 112 1HB MET 112 16.306 1.503 6.653 914 HG2 MET 112 2HG MET 112 17.281 3.589 7.564 915 HG3 MET 112 1HG MET 112 16.380 2.681 8.777 916 HE1 MET 112 1HE MET 112 18.990 3.989 11.210 917 HE2 MET 112 2HE MET 112 17.309 3.508 10.962 918 HE3 MET 112 3HE MET 112 18.002 4.832 10.015 919 H LEU 113 H LEU 113 14.823 0.585 7.855 920 HA LEU 113 HA LEU 113 13.668 -0.706 10.012 921 HB2 LEU 113 2HB LEU 113 15.240 0.905 11.317 922 HB3 LEU 113 1HB LEU 113 14.217 2.214 10.759 923 HG LEU 113 HG LEU 113 12.278 1.202 11.961 924 HD11 LEU 113 1HD1 LEU 113 12.628 -0.627 13.571 925 HD12 LEU 113 2HD1 LEU 113 14.280 -0.826 12.979 926 HD13 LEU 113 3HD1 LEU 113 12.912 -1.133 11.906 927 HD21 LEU 113 1HD2 LEU 113 14.681 1.725 13.739 928 HD22 LEU 113 2HD2 LEU 113 12.990 1.782 14.243 929 HD23 LEU 113 3HD2 LEU 113 13.595 2.941 13.065 930 H LEU 114 H LEU 114 13.241 0.429 7.245 931 HA LEU 114 HA LEU 114 11.606 1.148 5.872 932 HB2 LEU 114 2HB LEU 114 10.104 -0.153 7.337 933 HB3 LEU 114 1HB LEU 114 9.887 1.238 8.372 934 HG LEU 114 HG LEU 114 8.652 2.403 6.568 935 HD11 LEU 114 1HD1 LEU 114 7.979 1.239 4.526 936 HD12 LEU 114 2HD1 LEU 114 9.007 -0.132 4.957 937 HD13 LEU 114 3HD1 LEU 114 9.727 1.441 4.610 938 HD21 LEU 114 1HD2 LEU 114 6.632 1.026 6.618 939 HD22 LEU 114 2HD2 LEU 114 7.426 1.045 8.189 940 HD23 LEU 114 3HD2 LEU 114 7.580 -0.372 7.144 941 H VAL 115 H VAL 115 12.964 3.038 8.243 942 HA VAL 115 HA VAL 115 11.757 5.567 7.476 943 HB VAL 115 HB VAL 115 13.463 6.632 8.943 944 HG11 VAL 115 1HG1 VAL 115 12.027 4.312 10.289 945 HG12 VAL 115 2HG1 VAL 115 11.359 5.912 9.959 946 HG13 VAL 115 3HG1 VAL 115 12.681 5.733 11.110 947 HG21 VAL 115 1HG2 VAL 115 15.015 5.278 10.319 948 HG22 VAL 115 2HG2 VAL 115 15.359 5.121 8.597 949 HG23 VAL 115 3HG2 VAL 115 14.519 3.822 9.443 950 HA PRO 116 HA PRO 116 14.226 6.142 3.816 951 HB2 PRO 116 2HB PRO 116 14.489 8.924 3.798 952 HB3 PRO 116 1HB PRO 116 13.022 8.056 3.303 953 HG2 PRO 116 2HG PRO 116 13.642 9.356 5.937 954 HG3 PRO 116 1HG PRO 116 12.139 9.395 4.985 955 HD2 PRO 116 2HD PRO 116 12.383 7.773 7.118 956 HD3 PRO 116 1HD PRO 116 11.489 7.254 5.668 957 H ASP 117 H ASP 117 16.314 5.471 3.833 958 HA ASP 117 HA ASP 117 18.421 7.293 4.619 959 HB2 ASP 117 2HB ASP 117 18.084 6.136 6.773 960 HB3 ASP 117 1HB ASP 117 18.200 4.564 5.985 961 H ALA 118 H ALA 118 18.295 3.761 4.111 962 HA ALA 118 HA ALA 118 19.216 2.334 2.646 963 HB1 ALA 118 1HB ALA 118 17.891 3.520 0.938 964 HB2 ALA 118 2HB ALA 118 19.421 2.946 0.276 965 HB3 ALA 118 3HB ALA 118 19.221 4.652 0.683 966 HA PRO 119 HA PRO 119 23.654 3.162 3.186 967 HB2 PRO 119 2HB PRO 119 24.617 0.682 2.717 968 HB3 PRO 119 1HB PRO 119 23.610 0.996 4.144 969 HG2 PRO 119 2HG PRO 119 22.833 -0.261 1.537 970 HG3 PRO 119 1HG PRO 119 22.398 -0.743 3.191 971 HD2 PRO 119 2HD PRO 119 20.759 0.761 1.527 972 HD3 PRO 119 1HD PRO 119 20.649 0.757 3.300 973 H GLY 120 H GLY 120 25.712 2.151 1.702 974 HA2 GLY 120 2HA GLY 120 25.399 3.202 -0.984 975 HA3 GLY 120 1HA GLY 120 26.840 2.454 -0.302 976 H ALA 121 H ALA 121 23.505 1.524 -1.174 977 HA ALA 121 HA ALA 121 24.250 -1.236 -1.700 978 HB1 ALA 121 1HB ALA 121 21.549 0.153 -1.941 979 HB2 ALA 121 2HB ALA 121 22.140 -0.718 -0.527 980 HB3 ALA 121 3HB ALA 121 21.834 -1.588 -2.030 981 H SER 122 H SER 122 25.718 -0.698 -3.410 982 HA SER 122 HA SER 122 24.846 0.482 -5.885 983 HB2 SER 122 2HB SER 122 27.168 0.755 -4.990 984 HB3 SER 122 1HB SER 122 27.451 -0.972 -5.205 985 HG SER 122 HG SER 122 26.914 0.958 -7.218 Start of MODEL 17 1 H1 MET 1 1H MET 1 1.690 4.411 21.426 2 H2 MET 1 2H MET 1 1.872 2.963 22.270 3 H3 MET 1 3H MET 1 0.333 3.479 21.801 4 HA MET 1 HA MET 1 2.516 2.734 19.961 5 HB2 MET 1 2HB MET 1 1.533 0.839 21.343 6 HB3 MET 1 1HB MET 1 -0.034 1.185 20.634 7 HG2 MET 1 2HG MET 1 0.891 0.605 18.398 8 HG3 MET 1 1HG MET 1 2.429 0.214 19.163 9 HE1 MET 1 1HE MET 1 2.182 -2.139 17.801 10 HE2 MET 1 2HE MET 1 0.562 -1.729 17.238 11 HE3 MET 1 3HE MET 1 0.849 -3.265 18.055 12 H THR 2 H THR 2 0.734 5.192 20.082 13 HA THR 2 HA THR 2 -1.568 5.039 18.505 14 HB THR 2 HB THR 2 -1.352 7.541 18.233 15 HG1 THR 2 HG1 THR 2 0.487 8.492 19.395 16 HG21 THR 2 1HG2 THR 2 -1.439 8.126 20.630 17 HG22 THR 2 2HG2 THR 2 -0.750 6.557 21.052 18 HG23 THR 2 3HG2 THR 2 -2.349 6.642 20.312 19 H SER 3 H SER 3 1.677 6.212 17.480 20 HA SER 3 HA SER 3 0.988 6.653 14.768 21 HB2 SER 3 2HB SER 3 2.920 7.764 15.857 22 HB3 SER 3 1HB SER 3 3.751 6.214 15.971 23 HG SER 3 HG SER 3 4.525 7.170 14.153 24 H THR 4 H THR 4 2.170 3.811 16.472 25 HA THR 4 HA THR 4 2.899 2.275 14.173 26 HB THR 4 HB THR 4 2.186 1.275 16.961 27 HG1 THR 4 HG1 THR 4 4.140 2.863 16.292 28 HG21 THR 4 1HG2 THR 4 2.276 -0.546 15.282 29 HG22 THR 4 2HG2 THR 4 3.633 -0.651 16.399 30 HG23 THR 4 3HG2 THR 4 3.889 -0.003 14.780 31 H VAL 5 H VAL 5 -0.048 2.461 16.177 32 HA VAL 5 HA VAL 5 -1.476 0.350 14.928 33 HB VAL 5 HB VAL 5 -2.500 2.778 16.471 34 HG11 VAL 5 1HG1 VAL 5 -4.078 0.324 15.616 35 HG12 VAL 5 2HG1 VAL 5 -4.299 1.967 15.012 36 HG13 VAL 5 3HG1 VAL 5 -4.659 1.596 16.698 37 HG21 VAL 5 1HG2 VAL 5 -1.118 1.249 17.819 38 HG22 VAL 5 2HG2 VAL 5 -2.144 -0.109 17.358 39 HG23 VAL 5 3HG2 VAL 5 -2.801 1.199 18.347 40 H GLU 6 H GLU 6 -1.454 3.887 14.434 41 HA GLU 6 HA GLU 6 -3.172 4.098 12.247 42 HB2 GLU 6 2HB GLU 6 -0.691 5.724 12.952 43 HB3 GLU 6 1HB GLU 6 -1.793 6.168 11.653 44 HG2 GLU 6 2HG GLU 6 -2.590 5.904 14.561 45 HG3 GLU 6 1HG GLU 6 -2.161 7.424 13.776 46 H PHE 7 H PHE 7 0.351 3.563 12.314 47 HA PHE 7 HA PHE 7 0.895 3.738 9.572 48 HB2 PHE 7 2HB PHE 7 2.540 3.793 11.529 49 HB3 PHE 7 1HB PHE 7 2.431 2.044 11.596 50 HD1 PHE 7 HD1 PHE 7 3.191 4.803 9.173 51 HD2 PHE 7 HD2 PHE 7 4.088 0.806 10.420 52 HE1 PHE 7 HE1 PHE 7 5.052 4.720 7.574 53 HE2 PHE 7 HE2 PHE 7 5.946 0.732 8.807 54 HZ PHE 7 HZ PHE 7 6.426 2.692 7.389 55 H ILE 8 H ILE 8 0.478 0.784 11.566 56 HA ILE 8 HA ILE 8 0.641 -1.130 9.501 57 HB ILE 8 HB ILE 8 -0.864 -1.370 12.151 58 HG12 ILE 8 2HG1 ILE 8 1.986 -2.266 11.514 59 HG13 ILE 8 1HG1 ILE 8 1.571 -0.827 12.437 60 HG21 ILE 8 1HG2 ILE 8 0.107 -3.576 10.298 61 HG22 ILE 8 2HG2 ILE 8 -1.575 -3.108 10.561 62 HG23 ILE 8 3HG2 ILE 8 -0.639 -3.820 11.877 63 HD11 ILE 8 1HD1 ILE 8 0.980 -3.678 13.232 64 HD12 ILE 8 2HD1 ILE 8 0.520 -2.242 14.151 65 HD13 ILE 8 3HD1 ILE 8 2.221 -2.623 13.905 66 H ASN 9 H ASN 9 -2.136 0.531 10.996 67 HA ASN 9 HA ASN 9 -4.235 -0.839 9.692 68 HB2 ASN 9 2HB ASN 9 -4.660 0.453 11.707 69 HB3 ASN 9 1HB ASN 9 -4.116 1.935 10.934 70 HD21 ASN 9 1HD2 ASN 9 -6.684 -0.467 11.026 71 HD22 ASN 9 2HD2 ASN 9 -7.893 0.529 10.300 72 H ARG 10 H ARG 10 -2.302 1.914 8.714 73 HA ARG 10 HA ARG 10 -3.931 2.607 6.427 74 HB2 ARG 10 2HB ARG 10 -1.137 3.479 7.261 75 HB3 ARG 10 1HB ARG 10 -1.984 4.116 5.852 76 HG2 ARG 10 2HG ARG 10 -3.714 5.077 7.252 77 HG3 ARG 10 1HG ARG 10 -3.031 4.321 8.690 78 HD2 ARG 10 2HD ARG 10 -0.921 5.695 8.261 79 HD3 ARG 10 1HD ARG 10 -1.851 6.573 7.037 80 HE ARG 10 HE ARG 10 -3.274 6.523 9.483 81 HH11 ARG 10 1HH1 ARG 10 -0.472 8.108 8.040 82 HH12 ARG 10 2HH1 ARG 10 -0.599 9.511 9.056 83 HH21 ARG 10 1HH2 ARG 10 -3.392 8.342 10.828 84 HH22 ARG 10 2HH2 ARG 10 -2.253 9.643 10.636 85 H TRP 11 H TRP 11 -0.969 0.709 7.021 86 HA TRP 11 HA TRP 11 -0.515 0.025 4.292 87 HB2 TRP 11 2HB TRP 11 0.350 -1.267 6.897 88 HB3 TRP 11 1HB TRP 11 0.709 -2.031 5.347 89 HD1 TRP 11 HD1 TRP 11 2.333 0.158 7.721 90 HE1 TRP 11 HE1 TRP 11 4.225 1.485 6.620 91 HE3 TRP 11 HE3 TRP 11 1.103 -0.523 2.796 92 HZ2 TRP 11 HZ2 TRP 11 5.104 2.178 4.051 93 HZ3 TRP 11 HZ3 TRP 11 2.516 0.530 1.078 94 HH2 TRP 11 HH2 TRP 11 4.477 1.856 1.700 95 H GLN 12 H GLN 12 -2.560 -1.356 6.800 96 HA GLN 12 HA GLN 12 -3.521 -3.628 5.441 97 HB2 GLN 12 2HB GLN 12 -4.924 -1.824 7.466 98 HB3 GLN 12 1HB GLN 12 -5.585 -3.351 6.893 99 HG2 GLN 12 2HG GLN 12 -3.620 -4.520 7.864 100 HG3 GLN 12 1HG GLN 12 -3.043 -2.984 8.497 101 HE21 GLN 12 1HE2 GLN 12 -5.547 -5.433 8.747 102 HE22 GLN 12 2HE2 GLN 12 -6.125 -4.957 10.306 103 H ARG 13 H ARG 13 -4.580 -0.254 5.589 104 HA ARG 13 HA ARG 13 -6.906 -0.483 4.023 105 HB2 ARG 13 2HB ARG 13 -6.414 1.416 5.578 106 HB3 ARG 13 1HB ARG 13 -5.170 1.986 4.467 107 HG2 ARG 13 2HG ARG 13 -6.893 2.363 2.732 108 HG3 ARG 13 1HG ARG 13 -8.136 1.787 3.841 109 HD2 ARG 13 2HD ARG 13 -7.672 3.668 5.359 110 HD3 ARG 13 1HD ARG 13 -6.388 4.234 4.281 111 HE ARG 13 HE ARG 13 -8.774 4.038 2.805 112 HH11 ARG 13 1HH1 ARG 13 -7.423 5.999 5.394 113 HH12 ARG 13 2HH1 ARG 13 -8.368 7.399 4.991 114 HH21 ARG 13 1HH2 ARG 13 -10.012 5.887 2.286 115 HH22 ARG 13 2HH2 ARG 13 -9.832 7.337 3.231 116 H ILE 14 H ILE 14 -3.604 0.550 3.110 117 HA ILE 14 HA ILE 14 -4.126 1.157 0.397 118 HB ILE 14 HB ILE 14 -1.493 0.361 1.748 119 HG12 ILE 14 2HG1 ILE 14 -2.503 3.146 1.015 120 HG13 ILE 14 1HG1 ILE 14 -2.560 2.461 2.632 121 HG21 ILE 14 1HG2 ILE 14 -1.846 1.681 -0.961 122 HG22 ILE 14 2HG2 ILE 14 -1.320 0.022 -0.686 123 HG23 ILE 14 3HG2 ILE 14 -0.308 1.363 -0.154 124 HD11 ILE 14 1HD1 ILE 14 -0.045 3.044 1.059 125 HD12 ILE 14 2HD1 ILE 14 -0.115 2.362 2.688 126 HD13 ILE 14 3HD1 ILE 14 -0.704 3.996 2.390 127 H ALA 15 H ALA 15 -2.969 -1.808 2.033 128 HA ALA 15 HA ALA 15 -2.624 -3.486 -0.201 129 HB1 ALA 15 1HB ALA 15 -2.796 -5.347 1.410 130 HB2 ALA 15 2HB ALA 15 -3.441 -4.237 2.625 131 HB3 ALA 15 3HB ALA 15 -1.789 -4.043 2.041 132 H LEU 16 H LEU 16 -5.452 -2.817 1.776 133 HA LEU 16 HA LEU 16 -7.153 -4.850 0.620 134 HB2 LEU 16 2HB LEU 16 -7.735 -2.530 2.501 135 HB3 LEU 16 1HB LEU 16 -8.990 -3.630 1.956 136 HG LEU 16 HG LEU 16 -6.560 -4.434 3.603 137 HD11 LEU 16 1HD1 LEU 16 -8.088 -3.026 4.895 138 HD12 LEU 16 2HD1 LEU 16 -8.103 -4.684 5.485 139 HD13 LEU 16 3HD1 LEU 16 -9.440 -4.091 4.494 140 HD21 LEU 16 1HD2 LEU 16 -7.685 -6.595 3.875 141 HD22 LEU 16 2HD2 LEU 16 -7.327 -6.263 2.183 142 HD23 LEU 16 3HD2 LEU 16 -8.976 -6.077 2.787 143 H LEU 17 H LEU 17 -6.641 -1.400 0.118 144 HA LEU 17 HA LEU 17 -9.005 -0.950 -1.456 145 HB2 LEU 17 2HB LEU 17 -6.497 0.726 -1.047 146 HB3 LEU 17 1HB LEU 17 -7.800 1.234 -2.108 147 HG LEU 17 HG LEU 17 -8.032 0.809 0.897 148 HD11 LEU 17 1HD1 LEU 17 -8.022 3.385 -0.705 149 HD12 LEU 17 2HD1 LEU 17 -6.724 2.796 0.339 150 HD13 LEU 17 3HD1 LEU 17 -8.280 3.238 1.037 151 HD21 LEU 17 1HD2 LEU 17 -10.131 0.244 -0.218 152 HD22 LEU 17 2HD2 LEU 17 -10.125 1.792 -1.070 153 HD23 LEU 17 3HD2 LEU 17 -10.289 1.747 0.689 154 H SER 18 H SER 18 -5.527 -1.373 -2.214 155 HA SER 18 HA SER 18 -5.780 -1.315 -5.042 156 HB2 SER 18 2HB SER 18 -3.533 -2.384 -5.038 157 HB3 SER 18 1HB SER 18 -3.612 -1.024 -3.916 158 HG SER 18 HG SER 18 -3.251 -2.336 -2.325 159 H GLN 19 H GLN 19 -5.964 -3.939 -2.654 160 HA GLN 19 HA GLN 19 -6.189 -6.155 -4.375 161 HB2 GLN 19 2HB GLN 19 -5.857 -6.270 -1.880 162 HB3 GLN 19 1HB GLN 19 -7.531 -5.778 -1.663 163 HG2 GLN 19 2HG GLN 19 -7.350 -8.169 -1.364 164 HG3 GLN 19 1HG GLN 19 -8.261 -7.848 -2.839 165 HE21 GLN 19 1HE2 GLN 19 -5.228 -8.978 -1.523 166 HE22 GLN 19 2HE2 GLN 19 -4.651 -9.738 -2.966 167 H SER 20 H SER 20 -8.647 -4.048 -2.939 168 HA SER 20 HA SER 20 -10.939 -5.134 -4.107 169 HB2 SER 20 2HB SER 20 -10.348 -2.249 -3.319 170 HB3 SER 20 1HB SER 20 -11.950 -2.861 -3.739 171 HG SER 20 HG SER 20 -10.464 -4.150 -1.732 172 H LEU 21 H LEU 21 -8.819 -2.492 -5.232 173 HA LEU 21 HA LEU 21 -10.254 -1.855 -7.562 174 HB2 LEU 21 2HB LEU 21 -7.316 -1.346 -6.932 175 HB3 LEU 21 1HB LEU 21 -8.187 -0.628 -8.277 176 HG LEU 21 HG LEU 21 -8.585 -0.084 -5.324 177 HD11 LEU 21 1HD1 LEU 21 -8.018 2.228 -5.899 178 HD12 LEU 21 2HD1 LEU 21 -7.771 1.758 -7.583 179 HD13 LEU 21 3HD1 LEU 21 -6.720 1.111 -6.322 180 HD21 LEU 21 1HD2 LEU 21 -10.795 -0.239 -6.308 181 HD22 LEU 21 2HD2 LEU 21 -10.335 0.876 -7.594 182 HD23 LEU 21 3HD2 LEU 21 -10.408 1.431 -5.926 183 H LEU 22 H LEU 22 -7.836 -4.299 -6.895 184 HA LEU 22 HA LEU 22 -7.199 -4.953 -9.604 185 HB2 LEU 22 2HB LEU 22 -5.691 -5.585 -7.761 186 HB3 LEU 22 1HB LEU 22 -6.940 -6.597 -7.056 187 HG LEU 22 HG LEU 22 -6.823 -8.128 -9.016 188 HD11 LEU 22 1HD1 LEU 22 -5.027 -7.916 -10.672 189 HD12 LEU 22 2HD1 LEU 22 -4.575 -6.351 -9.991 190 HD13 LEU 22 3HD1 LEU 22 -6.156 -6.564 -10.749 191 HD21 LEU 22 1HD2 LEU 22 -4.126 -7.655 -7.714 192 HD22 LEU 22 2HD2 LEU 22 -4.651 -9.138 -8.518 193 HD23 LEU 22 3HD2 LEU 22 -5.454 -8.607 -7.042 194 H GLU 23 H GLU 23 -9.296 -6.490 -7.161 195 HA GLU 23 HA GLU 23 -10.435 -8.474 -8.788 196 HB2 GLU 23 2HB GLU 23 -11.551 -7.051 -6.336 197 HB3 GLU 23 1HB GLU 23 -12.238 -8.522 -7.028 198 HG2 GLU 23 2HG GLU 23 -10.102 -9.713 -6.563 199 HG3 GLU 23 1HG GLU 23 -9.455 -8.238 -5.844 200 H LEU 24 H LEU 24 -11.741 -5.311 -7.866 201 HA LEU 24 HA LEU 24 -14.036 -5.126 -9.362 202 HB2 LEU 24 2HB LEU 24 -12.102 -2.899 -8.614 203 HB3 LEU 24 1HB LEU 24 -13.737 -2.629 -9.199 204 HG LEU 24 HG LEU 24 -13.017 -4.025 -6.593 205 HD11 LEU 24 1HD1 LEU 24 -14.110 -1.234 -7.019 206 HD12 LEU 24 2HD1 LEU 24 -12.465 -1.643 -6.527 207 HD13 LEU 24 3HD1 LEU 24 -13.819 -2.020 -5.465 208 HD21 LEU 24 1HD2 LEU 24 -15.404 -3.890 -6.062 209 HD22 LEU 24 2HD2 LEU 24 -15.109 -4.882 -7.488 210 HD23 LEU 24 3HD2 LEU 24 -15.736 -3.240 -7.670 211 H ALA 25 H ALA 25 -10.704 -4.240 -10.359 212 HA ALA 25 HA ALA 25 -11.233 -3.195 -12.911 213 HB1 ALA 25 1HB ALA 25 -8.892 -3.737 -13.444 214 HB2 ALA 25 2HB ALA 25 -8.808 -4.794 -12.029 215 HB3 ALA 25 3HB ALA 25 -9.022 -3.054 -11.821 216 H GLN 26 H GLN 26 -10.513 -6.516 -11.907 217 HA GLN 26 HA GLN 26 -10.735 -7.750 -14.461 218 HB2 GLN 26 2HB GLN 26 -11.064 -8.950 -11.675 219 HB3 GLN 26 1HB GLN 26 -10.811 -9.872 -13.153 220 HG2 GLN 26 2HG GLN 26 -8.577 -9.000 -13.412 221 HG3 GLN 26 1HG GLN 26 -8.811 -7.849 -12.096 222 HE21 GLN 26 1HE2 GLN 26 -6.756 -9.910 -12.389 223 HE22 GLN 26 2HE2 GLN 26 -6.886 -10.915 -10.990 224 H ARG 27 H ARG 27 -13.087 -6.928 -11.984 225 HA ARG 27 HA ARG 27 -15.300 -8.455 -13.056 226 HB2 ARG 27 2HB ARG 27 -15.243 -6.189 -11.004 227 HB3 ARG 27 1HB ARG 27 -16.661 -7.162 -11.376 228 HG2 ARG 27 2HG ARG 27 -15.654 -9.140 -10.418 229 HG3 ARG 27 1HG ARG 27 -14.096 -8.331 -10.252 230 HD2 ARG 27 2HD ARG 27 -15.255 -6.684 -8.672 231 HD3 ARG 27 1HD ARG 27 -16.645 -7.776 -8.698 232 HE ARG 27 HE ARG 27 -14.399 -9.294 -8.038 233 HH11 ARG 27 1HH1 ARG 27 -16.262 -6.676 -6.571 234 HH12 ARG 27 2HH1 ARG 27 -15.860 -7.140 -4.946 235 HH21 ARG 27 1HH2 ARG 27 -13.852 -9.859 -5.882 236 HH22 ARG 27 2HH2 ARG 27 -14.505 -8.932 -4.568 237 H GLY 28 H GLY 28 -13.844 -5.427 -13.810 238 HA2 GLY 28 2HA GLY 28 -14.333 -4.075 -15.654 239 HA3 GLY 28 1HA GLY 28 -15.958 -4.732 -15.741 240 H GLU 29 H GLU 29 -15.173 -3.859 -12.599 241 HA GLU 29 HA GLU 29 -16.901 -1.539 -12.571 242 HB2 GLU 29 2HB GLU 29 -15.282 -2.707 -10.269 243 HB3 GLU 29 1HB GLU 29 -16.702 -1.679 -10.152 244 HG2 GLU 29 2HG GLU 29 -16.678 -4.514 -11.229 245 HG3 GLU 29 1HG GLU 29 -17.159 -4.052 -9.599 246 H TRP 30 H TRP 30 -14.981 -0.727 -14.179 247 HA TRP 30 HA TRP 30 -12.556 0.267 -13.118 248 HB2 TRP 30 2HB TRP 30 -14.061 1.182 -15.612 249 HB3 TRP 30 1HB TRP 30 -12.368 1.526 -15.255 250 HD1 TRP 30 HD1 TRP 30 -14.569 -1.074 -16.853 251 HE1 TRP 30 HE1 TRP 30 -13.164 -3.086 -17.605 252 HE3 TRP 30 HE3 TRP 30 -10.149 0.069 -14.515 253 HZ2 TRP 30 HZ2 TRP 30 -10.551 -4.060 -17.282 254 HZ3 TRP 30 HZ3 TRP 30 -8.246 -1.468 -14.794 255 HH2 TRP 30 HH2 TRP 30 -8.447 -3.490 -16.148 256 H ASP 31 H ASP 31 -15.769 1.645 -13.321 257 HA ASP 31 HA ASP 31 -15.376 4.334 -12.795 258 HB2 ASP 31 2HB ASP 31 -17.552 2.492 -11.710 259 HB3 ASP 31 1HB ASP 31 -17.615 4.250 -11.613 260 H LEU 32 H LEU 32 -15.497 1.603 -10.523 261 HA LEU 32 HA LEU 32 -15.340 3.139 -8.134 262 HB2 LEU 32 2HB LEU 32 -14.675 0.197 -8.556 263 HB3 LEU 32 1HB LEU 32 -14.964 0.970 -7.006 264 HG LEU 32 HG LEU 32 -17.007 0.483 -9.209 265 HD11 LEU 32 1HD1 LEU 32 -16.452 -1.494 -7.881 266 HD12 LEU 32 2HD1 LEU 32 -18.105 -0.967 -7.583 267 HD13 LEU 32 3HD1 LEU 32 -16.842 -0.628 -6.394 268 HD21 LEU 32 1HD2 LEU 32 -17.484 2.652 -8.187 269 HD22 LEU 32 2HD2 LEU 32 -17.444 1.927 -6.577 270 HD23 LEU 32 3HD2 LEU 32 -18.699 1.460 -7.729 271 H LEU 33 H LEU 33 -12.885 1.800 -10.288 272 HA LEU 33 HA LEU 33 -10.608 2.230 -8.603 273 HB2 LEU 33 2HB LEU 33 -10.895 1.926 -11.615 274 HB3 LEU 33 1HB LEU 33 -9.350 2.318 -10.886 275 HG LEU 33 HG LEU 33 -9.514 0.171 -9.549 276 HD11 LEU 33 1HD1 LEU 33 -11.909 -0.223 -9.664 277 HD12 LEU 33 2HD1 LEU 33 -11.006 -1.601 -10.290 278 HD13 LEU 33 3HD1 LEU 33 -11.803 -0.487 -11.407 279 HD21 LEU 33 1HD2 LEU 33 -8.086 0.358 -11.523 280 HD22 LEU 33 2HD2 LEU 33 -9.431 -0.122 -12.563 281 HD23 LEU 33 3HD2 LEU 33 -8.771 -1.260 -11.384 282 H LEU 34 H LEU 34 -12.229 4.158 -11.089 283 HA LEU 34 HA LEU 34 -10.531 6.419 -11.046 284 HB2 LEU 34 2HB LEU 34 -13.489 6.267 -11.755 285 HB3 LEU 34 1HB LEU 34 -12.402 7.574 -12.206 286 HG LEU 34 HG LEU 34 -12.225 4.696 -13.184 287 HD11 LEU 34 1HD1 LEU 34 -13.085 7.182 -14.686 288 HD12 LEU 34 2HD1 LEU 34 -14.128 5.858 -14.160 289 HD13 LEU 34 3HD1 LEU 34 -12.884 5.566 -15.372 290 HD21 LEU 34 1HD2 LEU 34 -10.475 5.473 -14.708 291 HD22 LEU 34 2HD2 LEU 34 -10.000 5.665 -13.023 292 HD23 LEU 34 3HD2 LEU 34 -10.515 7.072 -13.960 293 H GLN 35 H GLN 35 -13.388 5.581 -9.115 294 HA GLN 35 HA GLN 35 -13.683 8.075 -7.738 295 HB2 GLN 35 2HB GLN 35 -14.590 5.279 -6.894 296 HB3 GLN 35 1HB GLN 35 -15.146 6.793 -6.180 297 HG2 GLN 35 2HG GLN 35 -16.140 7.434 -8.350 298 HG3 GLN 35 1HG GLN 35 -15.622 5.901 -9.037 299 HE21 GLN 35 1HE2 GLN 35 -18.297 6.881 -8.896 300 HE22 GLN 35 2HE2 GLN 35 -19.205 5.767 -7.939 301 H GLN 36 H GLN 36 -12.246 4.936 -6.846 302 HA GLN 36 HA GLN 36 -11.289 5.754 -4.286 303 HB2 GLN 36 2HB GLN 36 -10.772 3.302 -5.987 304 HB3 GLN 36 1HB GLN 36 -9.941 3.540 -4.458 305 HG2 GLN 36 2HG GLN 36 -12.950 3.376 -4.781 306 HG3 GLN 36 1HG GLN 36 -11.903 2.050 -4.282 307 HE21 GLN 36 1HE2 GLN 36 -14.125 3.323 -2.855 308 HE22 GLN 36 2HE2 GLN 36 -13.474 3.859 -1.345 309 H GLU 37 H GLU 37 -9.951 6.194 -7.456 310 HA GLU 37 HA GLU 37 -7.241 6.268 -7.151 311 HB2 GLU 37 2HB GLU 37 -8.296 6.968 -9.247 312 HB3 GLU 37 1HB GLU 37 -8.965 8.401 -8.469 313 HG2 GLU 37 2HG GLU 37 -6.620 9.209 -8.070 314 HG3 GLU 37 1HG GLU 37 -6.027 7.832 -8.990 315 H VAL 38 H VAL 38 -9.453 8.875 -6.131 316 HA VAL 38 HA VAL 38 -7.532 10.628 -5.064 317 HB VAL 38 HB VAL 38 -10.482 10.369 -4.306 318 HG11 VAL 38 1HG1 VAL 38 -8.595 12.710 -3.862 319 HG12 VAL 38 2HG1 VAL 38 -9.265 11.663 -2.611 320 HG13 VAL 38 3HG1 VAL 38 -10.334 12.713 -3.541 321 HG21 VAL 38 1HG2 VAL 38 -10.183 10.764 -6.715 322 HG22 VAL 38 2HG2 VAL 38 -9.167 12.167 -6.376 323 HG23 VAL 38 3HG2 VAL 38 -10.877 12.186 -5.933 324 H SER 39 H SER 39 -9.634 8.250 -3.402 325 HA SER 39 HA SER 39 -8.759 8.850 -0.774 326 HB2 SER 39 2HB SER 39 -10.115 6.331 -1.822 327 HB3 SER 39 1HB SER 39 -10.062 6.864 -0.135 328 HG SER 39 HG SER 39 -10.984 8.905 -1.473 329 H TYR 40 H TYR 40 -7.984 6.079 -2.871 330 HA TYR 40 HA TYR 40 -6.230 4.689 -1.197 331 HB2 TYR 40 2HB TYR 40 -7.222 3.550 -3.069 332 HB3 TYR 40 1HB TYR 40 -6.612 4.735 -4.212 333 HD1 TYR 40 HD1 TYR 40 -5.235 2.256 -1.714 334 HD2 TYR 40 HD2 TYR 40 -4.825 4.056 -5.565 335 HE1 TYR 40 HE1 TYR 40 -3.326 0.795 -2.200 336 HE2 TYR 40 HE2 TYR 40 -2.906 2.601 -6.049 337 HH TYR 40 HH TYR 40 -1.223 1.288 -4.840 338 H LEU 41 H LEU 41 -5.499 7.016 -3.838 339 HA LEU 41 HA LEU 41 -2.657 6.742 -3.391 340 HB2 LEU 41 2HB LEU 41 -4.266 8.492 -5.274 341 HB3 LEU 41 1HB LEU 41 -2.507 8.488 -5.238 342 HG LEU 41 HG LEU 41 -4.146 5.972 -5.749 343 HD11 LEU 41 1HD1 LEU 41 -4.654 7.538 -7.542 344 HD12 LEU 41 2HD1 LEU 41 -3.691 6.189 -8.132 345 HD13 LEU 41 3HD1 LEU 41 -2.934 7.759 -7.863 346 HD21 LEU 41 1HD2 LEU 41 -2.057 5.053 -6.627 347 HD22 LEU 41 2HD2 LEU 41 -1.875 5.557 -4.949 348 HD23 LEU 41 3HD2 LEU 41 -1.212 6.556 -6.247 349 H GLN 42 H GLN 42 -5.141 8.993 -2.283 350 HA GLN 42 HA GLN 42 -3.386 10.935 -1.145 351 HB2 GLN 42 2HB GLN 42 -5.841 11.316 -1.322 352 HB3 GLN 42 1HB GLN 42 -6.133 10.026 -0.162 353 HG2 GLN 42 2HG GLN 42 -4.917 11.339 1.564 354 HG3 GLN 42 1HG GLN 42 -4.713 12.648 0.400 355 HE21 GLN 42 1HE2 GLN 42 -6.067 12.666 2.979 356 HE22 GLN 42 2HE2 GLN 42 -7.708 13.128 2.683 357 H SER 43 H SER 43 -4.767 7.886 0.084 358 HA SER 43 HA SER 43 -3.702 7.934 2.680 359 HB2 SER 43 2HB SER 43 -4.474 5.560 0.936 360 HB3 SER 43 1HB SER 43 -4.073 5.436 2.649 361 HG SER 43 HG SER 43 -6.150 7.055 1.595 362 H ILE 44 H ILE 44 -2.337 6.602 -0.343 363 HA ILE 44 HA ILE 44 -0.055 5.442 0.916 364 HB ILE 44 HB ILE 44 -1.047 4.765 -1.356 365 HG12 ILE 44 2HG1 ILE 44 1.980 5.114 -1.299 366 HG13 ILE 44 1HG1 ILE 44 1.108 3.846 -0.442 367 HG21 ILE 44 1HG2 ILE 44 -0.172 5.805 -3.383 368 HG22 ILE 44 2HG2 ILE 44 0.688 7.006 -2.420 369 HG23 ILE 44 3HG2 ILE 44 -1.072 6.980 -2.424 370 HD11 ILE 44 1HD1 ILE 44 1.123 4.207 -3.448 371 HD12 ILE 44 2HD1 ILE 44 0.339 2.907 -2.546 372 HD13 ILE 44 3HD1 ILE 44 2.093 3.051 -2.539 373 H GLU 45 H GLU 45 -0.571 8.574 -0.775 374 HA GLU 45 HA GLU 45 2.005 9.661 -0.497 375 HB2 GLU 45 2HB GLU 45 -0.739 10.966 -0.480 376 HB3 GLU 45 1HB GLU 45 0.738 11.917 -0.443 377 HG2 GLU 45 2HG GLU 45 0.115 9.942 -2.651 378 HG3 GLU 45 1HG GLU 45 -0.409 11.620 -2.698 379 H THR 46 H THR 46 -0.718 9.589 1.799 380 HA THR 46 HA THR 46 0.343 11.221 3.833 381 HB THR 46 HB THR 46 -1.737 8.996 4.019 382 HG1 THR 46 HG1 THR 46 -2.056 11.024 2.700 383 HG21 THR 46 1HG2 THR 46 -0.867 9.451 6.290 384 HG22 THR 46 2HG2 THR 46 -2.505 10.082 6.118 385 HG23 THR 46 3HG2 THR 46 -1.125 11.182 6.056 386 H VAL 47 H VAL 47 0.532 7.667 3.380 387 HA VAL 47 HA VAL 47 1.942 7.149 5.811 388 HB VAL 47 HB VAL 47 1.857 5.457 3.269 389 HG11 VAL 47 1HG1 VAL 47 2.640 4.661 6.097 390 HG12 VAL 47 2HG1 VAL 47 3.721 4.768 4.706 391 HG13 VAL 47 3HG1 VAL 47 2.444 3.551 4.739 392 HG21 VAL 47 1HG2 VAL 47 0.112 5.329 5.750 393 HG22 VAL 47 2HG2 VAL 47 0.050 4.204 4.392 394 HG23 VAL 47 3HG2 VAL 47 -0.385 5.896 4.155 395 H MET 48 H MET 48 3.019 7.792 2.471 396 HA MET 48 HA MET 48 5.783 7.238 2.916 397 HB2 MET 48 2HB MET 48 4.361 8.738 0.685 398 HB3 MET 48 1HB MET 48 6.103 8.477 0.687 399 HG2 MET 48 2HG MET 48 5.697 6.023 0.759 400 HG3 MET 48 1HG MET 48 3.966 6.331 0.631 401 HE1 MET 48 1HE MET 48 3.624 8.611 -1.522 402 HE2 MET 48 2HE MET 48 2.749 7.080 -1.621 403 HE3 MET 48 3HE MET 48 3.615 7.695 -3.029 404 H GLU 49 H GLU 49 3.880 10.216 3.185 405 HA GLU 49 HA GLU 49 6.219 11.916 3.567 406 HB2 GLU 49 2HB GLU 49 4.648 13.746 3.884 407 HB3 GLU 49 1HB GLU 49 4.154 12.799 2.483 408 HG2 GLU 49 2HG GLU 49 2.430 11.686 3.846 409 HG3 GLU 49 1HG GLU 49 2.943 12.613 5.248 410 H LYS 50 H LYS 50 4.075 10.068 5.600 411 HA LYS 50 HA LYS 50 4.848 11.420 8.065 412 HB2 LYS 50 2HB LYS 50 2.884 9.267 7.357 413 HB3 LYS 50 1HB LYS 50 3.582 9.151 8.967 414 HG2 LYS 50 2HG LYS 50 1.438 10.360 8.977 415 HG3 LYS 50 1HG LYS 50 2.769 11.380 9.535 416 HD2 LYS 50 2HD LYS 50 2.870 12.390 7.232 417 HD3 LYS 50 1HD LYS 50 1.453 11.437 6.794 418 HE2 LYS 50 2HE LYS 50 0.160 12.612 8.558 419 HE3 LYS 50 1HE LYS 50 1.583 13.584 8.928 420 HZ1 LYS 50 1HZ LYS 50 0.105 14.787 7.474 421 HZ2 LYS 50 2HZ LYS 50 0.113 13.534 6.342 422 HZ3 LYS 50 3HZ LYS 50 1.523 14.419 6.629 423 H GLN 51 H GLN 51 6.134 10.609 9.643 424 HA GLN 51 HA GLN 51 8.390 9.044 8.821 425 HB2 GLN 51 2HB GLN 51 8.579 11.007 10.322 426 HB3 GLN 51 1HB GLN 51 7.597 10.197 11.533 427 HG2 GLN 51 2HG GLN 51 9.432 8.434 11.680 428 HG3 GLN 51 1HG GLN 51 10.415 9.493 10.661 429 HE21 GLN 51 1HE2 GLN 51 11.970 9.902 12.232 430 HE22 GLN 51 2HE2 GLN 51 11.657 10.820 13.663 431 H THR 52 H THR 52 8.853 6.938 9.302 432 HA THR 52 HA THR 52 6.945 5.074 10.170 433 HB THR 52 HB THR 52 9.977 4.733 10.181 434 HG1 THR 52 HG1 THR 52 9.658 4.036 7.981 435 HG21 THR 52 1HG2 THR 52 7.759 2.695 9.760 436 HG22 THR 52 2HG2 THR 52 8.761 2.845 11.206 437 HG23 THR 52 3HG2 THR 52 9.491 2.369 9.672 438 HA PRO 53 HA PRO 53 7.376 5.660 14.700 439 HB2 PRO 53 2HB PRO 53 5.976 3.451 15.541 440 HB3 PRO 53 1HB PRO 53 5.177 4.877 14.853 441 HG2 PRO 53 2HG PRO 53 5.906 2.305 13.478 442 HG3 PRO 53 1HG PRO 53 4.370 3.203 13.440 443 HD2 PRO 53 2HD PRO 53 6.155 3.427 11.441 444 HD3 PRO 53 1HD PRO 53 5.181 4.819 11.971 445 HA PRO 54 HA PRO 54 10.876 3.037 15.877 446 HB2 PRO 54 2HB PRO 54 10.591 3.023 18.644 447 HB3 PRO 54 1HB PRO 54 11.256 4.386 17.724 448 HG2 PRO 54 2HG PRO 54 8.470 4.009 18.764 449 HG3 PRO 54 1HG PRO 54 9.501 5.457 18.803 450 HD2 PRO 54 2HD PRO 54 7.558 5.197 16.964 451 HD3 PRO 54 1HD PRO 54 9.105 5.978 16.560 452 H GLY 55 H GLY 55 7.809 2.273 17.549 453 HA2 GLY 55 2HA GLY 55 8.531 -0.344 18.397 454 HA3 GLY 55 1HA GLY 55 6.917 0.341 18.372 455 H ILE 56 H ILE 56 9.350 -1.264 16.400 456 HA ILE 56 HA ILE 56 7.227 -2.572 14.799 457 HB ILE 56 HB ILE 56 10.057 -1.895 13.851 458 HG12 ILE 56 2HG1 ILE 56 7.420 -0.625 12.992 459 HG13 ILE 56 1HG1 ILE 56 8.639 0.142 14.003 460 HG21 ILE 56 1HG2 ILE 56 9.199 -3.975 12.846 461 HG22 ILE 56 2HG2 ILE 56 9.318 -2.696 11.638 462 HG23 ILE 56 3HG2 ILE 56 7.743 -3.131 12.308 463 HD11 ILE 56 1HD1 ILE 56 8.971 -0.667 11.115 464 HD12 ILE 56 2HD1 ILE 56 10.233 0.033 12.134 465 HD13 ILE 56 3HD1 ILE 56 8.787 0.962 11.762 466 H THR 57 H THR 57 7.095 -4.455 15.966 467 HA THR 57 HA THR 57 9.427 -6.075 16.613 468 HB THR 57 HB THR 57 7.731 -7.759 17.348 469 HG1 THR 57 HG1 THR 57 5.461 -6.600 17.274 470 HG21 THR 57 1HG2 THR 57 8.370 -5.970 18.956 471 HG22 THR 57 2HG2 THR 57 6.692 -6.465 19.173 472 HG23 THR 57 3HG2 THR 57 7.061 -4.952 18.343 473 H ARG 58 H ARG 58 9.038 -8.575 15.792 474 HA ARG 58 HA ARG 58 9.400 -8.521 12.957 475 HB2 ARG 58 2HB ARG 58 10.538 -10.198 14.423 476 HB3 ARG 58 1HB ARG 58 8.981 -10.942 14.770 477 HG2 ARG 58 2HG ARG 58 10.259 -12.215 13.080 478 HG3 ARG 58 1HG ARG 58 8.737 -11.610 12.423 479 HD2 ARG 58 2HD ARG 58 10.061 -9.673 11.434 480 HD3 ARG 58 1HD ARG 58 11.527 -10.518 11.940 481 HE ARG 58 HE ARG 58 9.968 -12.281 10.407 482 HH11 ARG 58 1HH1 ARG 58 11.773 -9.297 9.956 483 HH12 ARG 58 2HH1 ARG 58 12.141 -9.617 8.287 484 HH21 ARG 58 1HH2 ARG 58 10.482 -12.723 8.219 485 HH22 ARG 58 2HH2 ARG 58 11.406 -11.575 7.297 486 H SER 59 H SER 59 6.696 -9.342 15.102 487 HA SER 59 HA SER 59 4.890 -10.405 13.228 488 HB2 SER 59 2HB SER 59 4.292 -8.765 15.725 489 HB3 SER 59 1HB SER 59 3.154 -9.829 14.890 490 HG SER 59 HG SER 59 4.609 -11.569 15.353 491 H ILE 60 H ILE 60 5.353 -7.067 14.351 492 HA ILE 60 HA ILE 60 3.483 -5.767 12.686 493 HB ILE 60 HB ILE 60 6.029 -4.740 14.016 494 HG12 ILE 60 2HG1 ILE 60 3.099 -4.436 14.807 495 HG13 ILE 60 1HG1 ILE 60 4.230 -5.566 15.536 496 HG21 ILE 60 1HG2 ILE 60 5.179 -2.438 13.682 497 HG22 ILE 60 2HG2 ILE 60 3.864 -3.071 12.693 498 HG23 ILE 60 3HG2 ILE 60 5.532 -3.234 12.146 499 HD11 ILE 60 1HD1 ILE 60 5.542 -3.696 16.403 500 HD12 ILE 60 2HD1 ILE 60 3.866 -3.635 16.946 501 HD13 ILE 60 3HD1 ILE 60 4.414 -2.556 15.665 502 H GLN 61 H GLN 61 6.908 -6.554 12.228 503 HA GLN 61 HA GLN 61 7.334 -5.150 9.806 504 HB2 GLN 61 2HB GLN 61 9.148 -5.845 11.315 505 HB3 GLN 61 1HB GLN 61 8.808 -7.540 10.997 506 HG2 GLN 61 2HG GLN 61 9.531 -7.284 8.679 507 HG3 GLN 61 1HG GLN 61 9.769 -5.550 8.920 508 HE21 GLN 61 1HE2 GLN 61 11.963 -5.787 8.286 509 HE22 GLN 61 2HE2 GLN 61 13.145 -6.425 9.368 510 H ASP 62 H ASP 62 6.205 -8.444 10.476 511 HA ASP 62 HA ASP 62 6.312 -9.337 7.733 512 HB2 ASP 62 2HB ASP 62 5.091 -10.497 10.258 513 HB3 ASP 62 1HB ASP 62 4.843 -11.268 8.695 514 H MET 63 H MET 63 3.735 -8.062 9.850 515 HA MET 63 HA MET 63 1.595 -8.402 7.993 516 HB2 MET 63 2HB MET 63 1.899 -6.464 10.323 517 HB3 MET 63 1HB MET 63 0.413 -6.652 9.400 518 HG2 MET 63 2HG MET 63 0.335 -9.042 10.083 519 HG3 MET 63 1HG MET 63 1.759 -8.771 11.087 520 HE1 MET 63 1HE MET 63 1.108 -5.765 12.291 521 HE2 MET 63 2HE MET 63 1.754 -7.101 13.245 522 HE3 MET 63 3HE MET 63 0.315 -6.242 13.790 523 H VAL 64 H VAL 64 3.607 -5.550 8.786 524 HA VAL 64 HA VAL 64 2.557 -3.771 6.886 525 HB VAL 64 HB VAL 64 5.280 -3.840 8.255 526 HG11 VAL 64 1HG1 VAL 64 4.172 -1.616 6.512 527 HG12 VAL 64 2HG1 VAL 64 5.594 -2.600 6.177 528 HG13 VAL 64 3HG1 VAL 64 5.602 -1.479 7.539 529 HG21 VAL 64 1HG2 VAL 64 3.360 -3.458 9.751 530 HG22 VAL 64 2HG2 VAL 64 2.826 -2.108 8.749 531 HG23 VAL 64 3HG2 VAL 64 4.349 -2.000 9.638 532 H ALA 65 H ALA 65 5.633 -5.693 6.632 533 HA ALA 65 HA ALA 65 6.172 -4.969 3.944 534 HB1 ALA 65 1HB ALA 65 7.844 -6.738 3.915 535 HB2 ALA 65 2HB ALA 65 7.122 -7.487 5.350 536 HB3 ALA 65 3HB ALA 65 7.893 -5.906 5.471 537 H GLY 66 H GLY 66 4.334 -7.689 5.304 538 HA2 GLY 66 2HA GLY 66 3.866 -9.182 2.961 539 HA3 GLY 66 1HA GLY 66 2.795 -9.108 4.353 540 H TYR 67 H TYR 67 2.159 -6.410 4.329 541 HA TYR 67 HA TYR 67 0.158 -6.325 2.264 542 HB2 TYR 67 2HB TYR 67 0.789 -4.549 4.637 543 HB3 TYR 67 1HB TYR 67 -0.440 -4.097 3.455 544 HD1 TYR 67 HD1 TYR 67 -1.302 -7.137 3.012 545 HD2 TYR 67 HD2 TYR 67 -0.884 -4.640 6.452 546 HE1 TYR 67 HE1 TYR 67 -3.027 -8.439 4.152 547 HE2 TYR 67 HE2 TYR 67 -2.618 -5.945 7.582 548 HH TYR 67 HH TYR 67 -3.779 -8.941 6.374 549 H ILE 68 H ILE 68 3.253 -4.664 2.783 550 HA ILE 68 HA ILE 68 2.899 -2.642 0.800 551 HB ILE 68 HB ILE 68 5.561 -3.948 1.578 552 HG12 ILE 68 2HG1 ILE 68 4.293 -1.416 2.716 553 HG13 ILE 68 1HG1 ILE 68 4.449 -2.944 3.563 554 HG21 ILE 68 1HG2 ILE 68 5.013 -1.277 0.206 555 HG22 ILE 68 2HG2 ILE 68 5.690 -2.719 -0.557 556 HG23 ILE 68 3HG2 ILE 68 6.603 -1.875 0.692 557 HD11 ILE 68 1HD1 ILE 68 6.739 -1.208 2.647 558 HD12 ILE 68 2HD1 ILE 68 6.882 -2.742 3.509 559 HD13 ILE 68 3HD1 ILE 68 6.126 -1.357 4.294 560 H LYS 69 H LYS 69 4.482 -5.852 0.710 561 HA LYS 69 HA LYS 69 4.961 -6.104 -2.022 562 HB2 LYS 69 2HB LYS 69 5.866 -7.741 -0.435 563 HB3 LYS 69 1HB LYS 69 4.248 -8.252 0.023 564 HG2 LYS 69 2HG LYS 69 5.287 -9.920 -1.433 565 HG3 LYS 69 1HG LYS 69 3.889 -9.194 -2.229 566 HD2 LYS 69 2HD LYS 69 5.542 -7.646 -3.431 567 HD3 LYS 69 1HD LYS 69 6.832 -8.668 -2.790 568 HE2 LYS 69 2HE LYS 69 4.598 -9.521 -4.669 569 HE3 LYS 69 1HE LYS 69 6.308 -9.348 -5.063 570 HZ1 LYS 69 1HZ LYS 69 5.123 -11.352 -3.214 571 HZ2 LYS 69 2HZ LYS 69 6.781 -11.145 -3.481 572 HZ3 LYS 69 3HZ LYS 69 5.781 -11.646 -4.745 573 H GLN 70 H GLN 70 2.019 -6.883 -0.149 574 HA GLN 70 HA GLN 70 0.590 -8.150 -2.210 575 HB2 GLN 70 2HB GLN 70 -0.007 -8.213 0.258 576 HB3 GLN 70 1HB GLN 70 -0.671 -6.591 0.088 577 HG2 GLN 70 2HG GLN 70 -2.281 -7.446 -1.603 578 HG3 GLN 70 1HG GLN 70 -1.623 -9.068 -1.395 579 HE21 GLN 70 1HE2 GLN 70 -3.542 -9.979 -0.699 580 HE22 GLN 70 2HE2 GLN 70 -4.292 -9.586 0.807 581 H THR 71 H THR 71 0.718 -4.691 -1.234 582 HA THR 71 HA THR 71 -1.429 -3.975 -3.044 583 HB THR 71 HB THR 71 -1.259 -2.780 -0.925 584 HG1 THR 71 HG1 THR 71 -0.880 -1.220 -3.275 585 HG21 THR 71 1HG2 THR 71 0.446 -1.144 -0.411 586 HG22 THR 71 2HG2 THR 71 1.318 -1.521 -1.904 587 HG23 THR 71 3HG2 THR 71 1.195 -2.726 -0.622 588 H LEU 72 H LEU 72 2.075 -3.981 -3.089 589 HA LEU 72 HA LEU 72 2.353 -2.407 -5.475 590 HB2 LEU 72 2HB LEU 72 4.295 -4.352 -4.157 591 HB3 LEU 72 1HB LEU 72 4.694 -3.363 -5.551 592 HG LEU 72 HG LEU 72 4.146 -2.433 -2.720 593 HD11 LEU 72 1HD1 LEU 72 6.574 -2.062 -4.499 594 HD12 LEU 72 2HD1 LEU 72 6.432 -3.188 -3.146 595 HD13 LEU 72 3HD1 LEU 72 6.382 -1.453 -2.851 596 HD21 LEU 72 1HD2 LEU 72 4.301 -0.725 -5.215 597 HD22 LEU 72 2HD2 LEU 72 4.381 -0.115 -3.560 598 HD23 LEU 72 3HD2 LEU 72 2.923 -0.928 -4.122 599 H ASP 73 H ASP 73 1.766 -5.777 -4.762 600 HA ASP 73 HA ASP 73 2.329 -6.777 -7.421 601 HB2 ASP 73 2HB ASP 73 2.543 -8.262 -5.467 602 HB3 ASP 73 1HB ASP 73 0.846 -8.026 -5.058 603 H ASN 74 H ASN 74 -0.594 -5.974 -5.555 604 HA ASN 74 HA ASN 74 -2.562 -6.598 -7.459 605 HB2 ASN 74 2HB ASN 74 -2.587 -4.415 -5.325 606 HB3 ASN 74 1HB ASN 74 -4.013 -4.969 -6.198 607 HD21 ASN 74 1HD2 ASN 74 -3.512 -4.956 -3.332 608 HD22 ASN 74 2HD2 ASN 74 -3.655 -6.594 -2.805 609 H GLU 75 H GLU 75 -0.880 -3.548 -6.762 610 HA GLU 75 HA GLU 75 -2.033 -2.100 -8.955 611 HB2 GLU 75 2HB GLU 75 -1.257 -1.062 -6.809 612 HB3 GLU 75 1HB GLU 75 0.411 -1.395 -7.276 613 HG2 GLU 75 2HG GLU 75 -0.092 -0.008 -9.389 614 HG3 GLU 75 1HG GLU 75 -1.564 0.493 -8.568 615 H GLN 76 H GLN 76 0.826 -4.117 -8.584 616 HA GLN 76 HA GLN 76 2.322 -3.396 -10.859 617 HB2 GLN 76 2HB GLN 76 3.144 -5.017 -9.181 618 HB3 GLN 76 1HB GLN 76 1.889 -6.157 -9.630 619 HG2 GLN 76 2HG GLN 76 2.950 -6.381 -11.865 620 HG3 GLN 76 1HG GLN 76 4.229 -5.285 -11.342 621 HE21 GLN 76 1HE2 GLN 76 2.737 -7.777 -9.289 622 HE22 GLN 76 2HE2 GLN 76 4.148 -8.764 -9.169 623 H LEU 77 H LEU 77 -0.324 -5.740 -10.455 624 HA LEU 77 HA LEU 77 -0.604 -6.429 -13.201 625 HB2 LEU 77 2HB LEU 77 -2.645 -6.592 -10.961 626 HB3 LEU 77 1HB LEU 77 -2.758 -7.435 -12.499 627 HG LEU 77 HG LEU 77 -0.662 -7.923 -10.345 628 HD11 LEU 77 1HD1 LEU 77 -1.769 -10.082 -10.017 629 HD12 LEU 77 2HD1 LEU 77 -3.011 -9.637 -11.188 630 HD13 LEU 77 3HD1 LEU 77 -2.853 -8.737 -9.678 631 HD21 LEU 77 1HD2 LEU 77 0.060 -9.837 -11.705 632 HD22 LEU 77 2HD2 LEU 77 0.301 -8.309 -12.547 633 HD23 LEU 77 3HD2 LEU 77 -1.052 -9.355 -12.989 634 H LEU 78 H LEU 78 -2.273 -4.043 -11.131 635 HA LEU 78 HA LEU 78 -4.238 -3.201 -12.965 636 HB2 LEU 78 2HB LEU 78 -3.019 -1.821 -10.554 637 HB3 LEU 78 1HB LEU 78 -4.315 -1.082 -11.485 638 HG LEU 78 HG LEU 78 -4.490 -3.719 -9.982 639 HD11 LEU 78 1HD1 LEU 78 -4.489 -1.778 -8.487 640 HD12 LEU 78 2HD1 LEU 78 -6.063 -2.575 -8.523 641 HD13 LEU 78 3HD1 LEU 78 -5.823 -1.063 -9.405 642 HD21 LEU 78 1HD2 LEU 78 -5.807 -3.817 -12.017 643 HD22 LEU 78 2HD2 LEU 78 -6.578 -2.274 -11.633 644 HD23 LEU 78 3HD2 LEU 78 -6.865 -3.685 -10.617 645 H LYS 79 H LYS 79 -1.245 -1.444 -12.092 646 HA LYS 79 HA LYS 79 -1.390 0.437 -14.195 647 HB2 LYS 79 2HB LYS 79 0.994 -0.512 -12.557 648 HB3 LYS 79 1HB LYS 79 1.047 0.859 -13.655 649 HG2 LYS 79 2HG LYS 79 -0.650 0.659 -11.139 650 HG3 LYS 79 1HG LYS 79 0.844 1.577 -11.320 651 HD2 LYS 79 2HD LYS 79 -0.369 2.881 -13.181 652 HD3 LYS 79 1HD LYS 79 -1.855 2.126 -12.595 653 HE2 LYS 79 2HE LYS 79 0.007 3.910 -10.978 654 HE3 LYS 79 1HE LYS 79 -1.550 4.375 -11.647 655 HZ1 LYS 79 1HZ LYS 79 -1.092 2.352 -9.516 656 HZ2 LYS 79 2HZ LYS 79 -2.597 2.719 -10.193 657 HZ3 LYS 79 3HZ LYS 79 -1.757 3.893 -9.318 658 H GLY 80 H GLY 80 0.090 -2.784 -13.970 659 HA2 GLY 80 2HA GLY 80 1.498 -2.854 -16.417 660 HA3 GLY 80 1HA GLY 80 0.862 -4.242 -15.558 661 H LEU 81 H LEU 81 -1.903 -3.283 -15.692 662 HA LEU 81 HA LEU 81 -2.630 -4.085 -18.397 663 HB2 LEU 81 2HB LEU 81 -3.760 -4.943 -16.320 664 HB3 LEU 81 1HB LEU 81 -4.380 -3.340 -16.010 665 HG LEU 81 HG LEU 81 -5.129 -4.844 -18.552 666 HD11 LEU 81 1HD1 LEU 81 -5.675 -6.334 -16.683 667 HD12 LEU 81 2HD1 LEU 81 -7.142 -5.690 -17.413 668 HD13 LEU 81 3HD1 LEU 81 -6.564 -5.038 -15.876 669 HD21 LEU 81 1HD2 LEU 81 -7.151 -3.443 -18.480 670 HD22 LEU 81 2HD2 LEU 81 -5.696 -2.454 -18.520 671 HD23 LEU 81 3HD2 LEU 81 -6.571 -2.663 -17.004 672 H LEU 82 H LEU 82 -2.778 -1.187 -16.356 673 HA LEU 82 HA LEU 82 -4.548 0.231 -18.214 674 HB2 LEU 82 2HB LEU 82 -3.573 0.788 -15.388 675 HB3 LEU 82 1HB LEU 82 -4.446 2.003 -16.302 676 HG LEU 82 HG LEU 82 -5.628 -0.740 -15.703 677 HD11 LEU 82 1HD1 LEU 82 -6.001 1.793 -14.070 678 HD12 LEU 82 2HD1 LEU 82 -5.117 0.350 -13.564 679 HD13 LEU 82 3HD1 LEU 82 -6.854 0.261 -13.840 680 HD21 LEU 82 1HD2 LEU 82 -7.762 0.366 -16.174 681 HD22 LEU 82 2HD2 LEU 82 -6.678 0.475 -17.557 682 HD23 LEU 82 3HD2 LEU 82 -6.927 1.884 -16.515 683 H GLN 83 H GLN 83 -1.591 1.031 -16.408 684 HA GLN 83 HA GLN 83 -0.029 2.144 -18.427 685 HB2 GLN 83 2HB GLN 83 -2.135 3.991 -17.424 686 HB3 GLN 83 1HB GLN 83 -0.527 4.668 -17.252 687 HG2 GLN 83 2HG GLN 83 -1.732 3.662 -19.853 688 HG3 GLN 83 1HG GLN 83 -1.615 5.349 -19.364 689 HE21 GLN 83 1HE2 GLN 83 1.045 5.149 -18.222 690 HE22 GLN 83 2HE2 GLN 83 2.141 4.941 -19.536 691 H GLN 84 H GLN 84 1.567 1.113 -17.271 692 HA GLN 84 HA GLN 84 2.413 1.142 -14.690 693 HB2 GLN 84 2HB GLN 84 3.651 -0.005 -16.466 694 HB3 GLN 84 1HB GLN 84 4.137 1.531 -17.171 695 HG2 GLN 84 2HG GLN 84 5.404 2.002 -15.027 696 HG3 GLN 84 1HG GLN 84 5.052 0.349 -14.536 697 HE21 GLN 84 1HE2 GLN 84 5.399 -0.731 -17.279 698 HE22 GLN 84 2HE2 GLN 84 7.102 -0.715 -17.557 699 H ARG 85 H ARG 85 3.375 3.617 -17.050 700 HA ARG 85 HA ARG 85 4.227 5.554 -15.145 701 HB2 ARG 85 2HB ARG 85 3.378 5.873 -18.065 702 HB3 ARG 85 1HB ARG 85 4.105 7.153 -17.096 703 HG2 ARG 85 2HG ARG 85 6.167 5.787 -16.854 704 HG3 ARG 85 1HG ARG 85 5.444 4.532 -17.865 705 HD2 ARG 85 2HD ARG 85 5.341 6.091 -19.765 706 HD3 ARG 85 1HD ARG 85 5.985 7.395 -18.760 707 HE ARG 85 HE ARG 85 7.841 5.338 -18.646 708 HH11 ARG 85 1HH1 ARG 85 6.487 7.394 -21.181 709 HH12 ARG 85 2HH1 ARG 85 7.912 7.325 -22.173 710 HH21 ARG 85 1HH2 ARG 85 9.713 5.246 -19.966 711 HH22 ARG 85 2HH2 ARG 85 9.744 6.102 -21.477 712 H LEU 86 H LEU 86 3.023 7.002 -14.022 713 HA LEU 86 HA LEU 86 0.295 6.763 -13.567 714 HB2 LEU 86 2HB LEU 86 2.077 9.191 -13.158 715 HB3 LEU 86 1HB LEU 86 0.510 8.966 -12.401 716 HG LEU 86 HG LEU 86 2.924 7.173 -11.927 717 HD11 LEU 86 1HD1 LEU 86 3.128 8.269 -9.745 718 HD12 LEU 86 2HD1 LEU 86 1.846 9.403 -10.179 719 HD13 LEU 86 3HD1 LEU 86 3.371 9.404 -11.071 720 HD21 LEU 86 1HD2 LEU 86 0.253 7.292 -10.496 721 HD22 LEU 86 2HD2 LEU 86 1.634 6.288 -10.037 722 HD23 LEU 86 3HD2 LEU 86 0.812 6.005 -11.569 723 H ASP 87 H ASP 87 -1.317 7.142 -14.966 724 HA ASP 87 HA ASP 87 -1.502 9.511 -16.614 725 HB2 ASP 87 2HB ASP 87 0.055 8.095 -17.940 726 HB3 ASP 87 1HB ASP 87 -1.084 6.763 -17.889 727 H GLU 88 H GLU 88 -2.748 6.131 -16.688 728 HA GLU 88 HA GLU 88 -5.499 6.824 -16.883 729 HB2 GLU 88 2HB GLU 88 -4.113 4.260 -15.990 730 HB3 GLU 88 1HB GLU 88 -5.860 4.392 -16.129 731 HG2 GLU 88 2HG GLU 88 -3.908 4.793 -18.412 732 HG3 GLU 88 1HG GLU 88 -4.793 3.305 -18.085 733 H LEU 89 H LEU 89 -3.427 5.963 -14.151 734 HA LEU 89 HA LEU 89 -5.243 7.322 -12.273 735 HB2 LEU 89 2HB LEU 89 -3.951 4.583 -11.804 736 HB3 LEU 89 1HB LEU 89 -4.758 5.517 -10.557 737 HG LEU 89 HG LEU 89 -6.147 4.412 -13.039 738 HD11 LEU 89 1HD1 LEU 89 -6.228 3.297 -10.218 739 HD12 LEU 89 2HD1 LEU 89 -5.422 2.567 -11.610 740 HD13 LEU 89 3HD1 LEU 89 -7.174 2.729 -11.602 741 HD21 LEU 89 1HD2 LEU 89 -7.257 6.408 -12.160 742 HD22 LEU 89 2HD2 LEU 89 -7.348 5.677 -10.555 743 HD23 LEU 89 3HD2 LEU 89 -8.245 4.969 -11.903 744 H SER 90 H SER 90 -4.026 9.052 -11.643 745 HA SER 90 HA SER 90 -1.100 8.710 -11.279 746 HB2 SER 90 2HB SER 90 -2.530 11.289 -12.025 747 HB3 SER 90 1HB SER 90 -0.789 11.019 -11.974 748 HG SER 90 HG SER 90 -2.419 10.682 -14.013 749 H SER 91 H SER 91 -2.958 11.563 -10.229 750 HA SER 91 HA SER 91 -3.255 12.580 -8.230 751 HB2 SER 91 2HB SER 91 -5.014 10.824 -8.202 752 HB3 SER 91 1HB SER 91 -3.929 9.754 -7.318 753 HG SER 91 HG SER 91 -3.987 11.202 -5.588 754 H LEU 92 H LEU 92 -0.444 11.647 -8.650 755 HA LEU 92 HA LEU 92 0.496 11.569 -5.829 756 HB2 LEU 92 2HB LEU 92 1.716 10.170 -8.241 757 HB3 LEU 92 1HB LEU 92 2.455 10.224 -6.647 758 HG LEU 92 HG LEU 92 -0.175 8.853 -7.334 759 HD11 LEU 92 1HD1 LEU 92 1.011 6.763 -6.955 760 HD12 LEU 92 2HD1 LEU 92 2.515 7.644 -6.669 761 HD13 LEU 92 3HD1 LEU 92 1.752 7.686 -8.259 762 HD21 LEU 92 1HD2 LEU 92 1.312 8.897 -4.696 763 HD22 LEU 92 2HD2 LEU 92 -0.122 7.935 -5.069 764 HD23 LEU 92 3HD2 LEU 92 -0.226 9.691 -5.046 765 H ILE 93 H ILE 93 3.151 11.999 -6.093 766 HA ILE 93 HA ILE 93 3.411 14.770 -6.424 767 HB ILE 93 HB ILE 93 5.643 12.672 -6.404 768 HG12 ILE 93 2HG1 ILE 93 4.390 14.220 -4.091 769 HG13 ILE 93 1HG1 ILE 93 4.145 12.513 -4.429 770 HG21 ILE 93 1HG2 ILE 93 7.120 14.479 -5.590 771 HG22 ILE 93 2HG2 ILE 93 5.807 15.642 -5.775 772 HG23 ILE 93 3HG2 ILE 93 6.484 14.846 -7.197 773 HD11 ILE 93 1HD1 ILE 93 6.738 13.807 -3.589 774 HD12 ILE 93 2HD1 ILE 93 6.526 12.098 -3.979 775 HD13 ILE 93 3HD1 ILE 93 5.676 12.799 -2.604 776 H GLY 94 H GLY 94 5.170 12.347 -8.429 777 HA2 GLY 94 2HA GLY 94 4.892 14.089 -10.811 778 HA3 GLY 94 1HA GLY 94 6.494 13.642 -10.242 779 H GLN 95 H GLN 95 7.331 12.089 -11.514 780 HA GLN 95 HA GLN 95 5.632 10.086 -12.796 781 HB2 GLN 95 2HB GLN 95 7.550 9.431 -14.085 782 HB3 GLN 95 1HB GLN 95 7.451 11.184 -14.104 783 HG2 GLN 95 2HG GLN 95 9.341 9.578 -12.375 784 HG3 GLN 95 1HG GLN 95 9.773 10.281 -13.930 785 HE21 GLN 95 1HE2 GLN 95 9.906 12.563 -14.090 786 HE22 GLN 95 2HE2 GLN 95 10.177 13.548 -12.696 787 H SER 96 H SER 96 5.899 7.850 -12.515 788 HA SER 96 HA SER 96 5.736 6.010 -11.273 789 HB2 SER 96 2HB SER 96 7.847 5.173 -10.199 790 HB3 SER 96 1HB SER 96 8.059 5.706 -11.861 791 HG SER 96 HG SER 96 9.108 7.501 -11.158 792 H THR 97 H THR 97 7.726 7.749 -8.874 793 HA THR 97 HA THR 97 7.420 8.475 -6.787 794 HB THR 97 HB THR 97 4.433 8.566 -7.394 795 HG1 THR 97 HG1 THR 97 6.435 10.002 -8.430 796 HG21 THR 97 1HG2 THR 97 6.040 10.057 -5.284 797 HG22 THR 97 2HG2 THR 97 4.875 8.769 -4.968 798 HG23 THR 97 3HG2 THR 97 4.322 10.306 -5.635 799 H ARG 98 H ARG 98 4.393 6.494 -6.958 800 HA ARG 98 HA ARG 98 4.690 5.615 -4.290 801 HB2 ARG 98 2HB ARG 98 2.671 4.436 -4.537 802 HB3 ARG 98 1HB ARG 98 2.511 5.807 -5.613 803 HG2 ARG 98 2HG ARG 98 3.155 2.965 -6.463 804 HG3 ARG 98 1HG ARG 98 1.566 3.712 -6.527 805 HD2 ARG 98 2HD ARG 98 2.228 5.199 -8.284 806 HD3 ARG 98 1HD ARG 98 3.939 4.813 -8.069 807 HE ARG 98 HE ARG 98 2.449 2.479 -8.714 808 HH11 ARG 98 1HH1 ARG 98 3.749 5.375 -10.273 809 HH12 ARG 98 2HH1 ARG 98 3.863 4.627 -11.835 810 HH21 ARG 98 1HH2 ARG 98 2.645 1.525 -10.782 811 HH22 ARG 98 2HH2 ARG 98 3.241 2.461 -12.121 812 H GLN 99 H GLN 99 5.457 3.932 -7.346 813 HA GLN 99 HA GLN 99 5.910 1.378 -6.136 814 HB2 GLN 99 2HB GLN 99 6.877 0.748 -8.384 815 HB3 GLN 99 1HB GLN 99 5.246 1.399 -8.456 816 HG2 GLN 99 2HG GLN 99 6.099 3.552 -9.237 817 HG3 GLN 99 1HG GLN 99 7.757 2.979 -9.076 818 HE21 GLN 99 1HE2 GLN 99 5.156 0.981 -10.415 819 HE22 GLN 99 2HE2 GLN 99 5.778 0.962 -12.025 820 H LYS 100 H LYS 100 7.957 4.060 -7.115 821 HA LYS 100 HA LYS 100 10.501 2.883 -6.696 822 HB2 LYS 100 2HB LYS 100 10.125 4.885 -8.122 823 HB3 LYS 100 1HB LYS 100 9.630 5.809 -6.710 824 HG2 LYS 100 2HG LYS 100 11.881 6.441 -7.286 825 HG3 LYS 100 1HG LYS 100 11.931 5.538 -5.770 826 HD2 LYS 100 2HD LYS 100 12.623 3.500 -7.055 827 HD3 LYS 100 1HD LYS 100 12.636 4.468 -8.533 828 HE2 LYS 100 2HE LYS 100 14.413 4.863 -6.099 829 HE3 LYS 100 1HE LYS 100 14.909 4.257 -7.680 830 HZ1 LYS 100 1HZ LYS 100 14.322 6.403 -8.641 831 HZ2 LYS 100 2HZ LYS 100 15.484 6.584 -7.431 832 HZ3 LYS 100 3HZ LYS 100 13.874 6.987 -7.124 833 H SER 101 H SER 101 8.387 4.897 -4.682 834 HA SER 101 HA SER 101 10.220 5.267 -2.517 835 HB2 SER 101 2HB SER 101 8.436 6.916 -3.079 836 HB3 SER 101 1HB SER 101 7.209 5.743 -2.606 837 HG SER 101 HG SER 101 7.632 7.177 -0.912 838 H LEU 102 H LEU 102 7.449 3.069 -3.076 839 HA LEU 102 HA LEU 102 7.557 1.937 -0.415 840 HB2 LEU 102 2HB LEU 102 5.898 1.376 -2.871 841 HB3 LEU 102 1HB LEU 102 5.987 0.147 -1.622 842 HG LEU 102 HG LEU 102 5.105 1.802 0.037 843 HD11 LEU 102 1HD1 LEU 102 4.053 3.863 -0.693 844 HD12 LEU 102 2HD1 LEU 102 4.643 3.604 -2.336 845 HD13 LEU 102 3HD1 LEU 102 5.786 3.880 -1.021 846 HD21 LEU 102 1HD2 LEU 102 3.625 0.178 -1.025 847 HD22 LEU 102 2HD2 LEU 102 3.320 1.295 -2.359 848 HD23 LEU 102 3HD2 LEU 102 2.777 1.697 -0.727 849 H ASN 103 H ASN 103 8.877 1.054 -3.590 850 HA ASN 103 HA ASN 103 9.872 -1.517 -2.884 851 HB2 ASN 103 2HB ASN 103 9.783 -0.572 -5.241 852 HB3 ASN 103 1HB ASN 103 11.133 0.473 -4.833 853 HD21 ASN 103 1HD2 ASN 103 10.927 -1.566 -6.901 854 HD22 ASN 103 2HD2 ASN 103 12.192 -2.703 -6.603 855 H ASN 104 H ASN 104 11.266 1.753 -2.726 856 HA ASN 104 HA ASN 104 13.743 1.183 -1.514 857 HB2 ASN 104 2HB ASN 104 12.929 3.405 -2.552 858 HB3 ASN 104 1HB ASN 104 12.086 3.707 -1.043 859 HD21 ASN 104 1HD2 ASN 104 14.224 5.230 -2.326 860 HD22 ASN 104 2HD2 ASN 104 15.494 5.328 -1.164 861 H ALA 105 H ALA 105 10.576 1.962 -0.135 862 HA ALA 105 HA ALA 105 11.286 2.000 2.603 863 HB1 ALA 105 1HB ALA 105 9.233 3.042 1.730 864 HB2 ALA 105 2HB ALA 105 8.858 1.892 3.011 865 HB3 ALA 105 3HB ALA 105 8.582 1.454 1.324 866 H TYR 106 H TYR 106 10.314 -0.623 0.433 867 HA TYR 106 HA TYR 106 9.791 -2.583 2.450 868 HB2 TYR 106 2HB TYR 106 9.020 -2.597 -0.034 869 HB3 TYR 106 1HB TYR 106 10.620 -3.212 -0.417 870 HD1 TYR 106 HD1 TYR 106 11.315 -5.402 1.124 871 HD2 TYR 106 HD2 TYR 106 7.330 -4.162 0.262 872 HE1 TYR 106 HE1 TYR 106 10.509 -7.670 1.593 873 HE2 TYR 106 HE2 TYR 106 6.527 -6.413 0.738 874 HH TYR 106 HH TYR 106 7.223 -8.635 0.945 875 H GLY 107 H GLY 107 12.549 -2.074 0.230 876 HA2 GLY 107 2HA GLY 107 14.219 -4.122 1.218 877 HA3 GLY 107 1HA GLY 107 14.745 -2.726 0.293 878 H ARG 108 H ARG 108 13.783 -0.781 2.208 879 HA ARG 108 HA ARG 108 15.965 -0.859 4.121 880 HB2 ARG 108 2HB ARG 108 13.973 1.248 3.273 881 HB3 ARG 108 1HB ARG 108 14.812 1.441 4.807 882 HG2 ARG 108 2HG ARG 108 15.917 2.693 2.988 883 HG3 ARG 108 1HG ARG 108 16.977 1.467 3.679 884 HD2 ARG 108 2HD ARG 108 16.584 0.000 1.763 885 HD3 ARG 108 1HD ARG 108 15.412 1.141 1.097 886 HE ARG 108 HE ARG 108 17.987 2.327 1.467 887 HH11 ARG 108 1HH1 ARG 108 16.148 0.278 -0.716 888 HH12 ARG 108 2HH1 ARG 108 17.112 0.669 -2.103 889 HH21 ARG 108 1HH2 ARG 108 19.254 2.835 -0.368 890 HH22 ARG 108 2HH2 ARG 108 18.879 2.124 -1.905 891 H LEU 109 H LEU 109 12.493 -1.541 4.151 892 HA LEU 109 HA LEU 109 12.211 -1.578 7.008 893 HB2 LEU 109 2HB LEU 109 10.248 -1.579 5.487 894 HB3 LEU 109 1HB LEU 109 10.678 -3.184 4.923 895 HG LEU 109 HG LEU 109 10.201 -4.126 7.170 896 HD11 LEU 109 1HD1 LEU 109 9.399 -1.312 7.976 897 HD12 LEU 109 2HD1 LEU 109 10.790 -2.219 8.577 898 HD13 LEU 109 3HD1 LEU 109 9.159 -2.778 8.936 899 HD21 LEU 109 1HD2 LEU 109 8.409 -4.021 5.493 900 HD22 LEU 109 2HD2 LEU 109 7.911 -2.444 6.110 901 HD23 LEU 109 3HD2 LEU 109 7.774 -3.878 7.132 902 H SER 110 H SER 110 13.373 -3.871 4.621 903 HA SER 110 HA SER 110 13.943 -6.002 6.443 904 HB2 SER 110 2HB SER 110 13.741 -6.292 3.968 905 HB3 SER 110 1HB SER 110 15.222 -5.365 3.745 906 HG SER 110 HG SER 110 16.346 -6.995 4.857 907 H GLY 111 H GLY 111 15.865 -3.244 5.141 908 HA2 GLY 111 2HA GLY 111 18.289 -4.139 6.519 909 HA3 GLY 111 1HA GLY 111 18.144 -2.812 5.392 910 H MET 112 H MET 112 16.658 -0.889 6.402 911 HA MET 112 HA MET 112 18.124 -0.139 8.842 912 HB2 MET 112 2HB MET 112 16.685 1.386 6.667 913 HB3 MET 112 1HB MET 112 16.890 2.167 8.227 914 HG2 MET 112 2HG MET 112 19.127 1.117 6.483 915 HG3 MET 112 1HG MET 112 18.646 2.805 6.660 916 HE1 MET 112 1HE MET 112 19.510 3.351 10.534 917 HE2 MET 112 2HE MET 112 17.974 2.727 9.924 918 HE3 MET 112 3HE MET 112 18.766 4.083 9.112 919 H LEU 113 H LEU 113 14.714 0.495 7.790 920 HA LEU 113 HA LEU 113 13.296 -0.312 10.048 921 HB2 LEU 113 2HB LEU 113 14.958 1.448 11.116 922 HB3 LEU 113 1HB LEU 113 13.975 2.659 10.316 923 HG LEU 113 HG LEU 113 11.978 1.825 11.621 924 HD11 LEU 113 1HD1 LEU 113 12.330 0.416 13.585 925 HD12 LEU 113 2HD1 LEU 113 14.017 0.167 13.123 926 HD13 LEU 113 3HD1 LEU 113 12.714 -0.440 12.093 927 HD21 LEU 113 1HD2 LEU 113 12.596 2.919 13.729 928 HD22 LEU 113 2HD2 LEU 113 13.192 3.816 12.334 929 HD23 LEU 113 3HD2 LEU 113 14.305 2.830 13.285 930 H LEU 114 H LEU 114 13.070 0.107 7.186 931 HA LEU 114 HA LEU 114 11.640 0.653 5.544 932 HB2 LEU 114 2HB LEU 114 9.860 0.303 7.290 933 HB3 LEU 114 1HB LEU 114 9.875 2.018 7.614 934 HG LEU 114 HG LEU 114 9.300 1.196 4.776 935 HD11 LEU 114 1HD1 LEU 114 6.934 0.712 5.216 936 HD12 LEU 114 2HD1 LEU 114 7.220 0.822 6.955 937 HD13 LEU 114 3HD1 LEU 114 7.982 -0.462 6.015 938 HD21 LEU 114 1HD2 LEU 114 7.721 3.074 4.845 939 HD22 LEU 114 2HD2 LEU 114 9.314 3.584 5.399 940 HD23 LEU 114 3HD2 LEU 114 8.029 3.292 6.573 941 H VAL 115 H VAL 115 13.019 3.053 7.580 942 HA VAL 115 HA VAL 115 12.498 5.328 5.892 943 HB VAL 115 HB VAL 115 14.060 6.556 7.420 944 HG11 VAL 115 1HG1 VAL 115 11.672 6.441 7.955 945 HG12 VAL 115 2HG1 VAL 115 12.634 6.456 9.432 946 HG13 VAL 115 3HG1 VAL 115 11.921 4.944 8.861 947 HG21 VAL 115 1HG2 VAL 115 14.943 5.477 9.464 948 HG22 VAL 115 2HG2 VAL 115 15.625 4.745 8.012 949 HG23 VAL 115 3HG2 VAL 115 14.351 3.908 8.901 950 HA PRO 116 HA PRO 116 16.068 4.419 3.212 951 HB2 PRO 116 2HB PRO 116 15.818 6.517 1.487 952 HB3 PRO 116 1HB PRO 116 14.684 5.149 1.465 953 HG2 PRO 116 2HG PRO 116 14.343 7.857 2.690 954 HG3 PRO 116 1HG PRO 116 13.182 6.895 1.749 955 HD2 PRO 116 2HD PRO 116 13.163 7.029 4.501 956 HD3 PRO 116 1HD PRO 116 12.534 5.641 3.586 957 H ASP 117 H ASP 117 18.137 5.318 2.782 958 HA ASP 117 HA ASP 117 19.025 7.468 4.611 959 HB2 ASP 117 2HB ASP 117 20.182 5.270 4.811 960 HB3 ASP 117 1HB ASP 117 20.614 5.332 3.106 961 H ALA 118 H ALA 118 20.099 6.255 1.436 962 HA ALA 118 HA ALA 118 19.573 8.783 0.073 963 HB1 ALA 118 1HB ALA 118 22.371 7.571 0.228 964 HB2 ALA 118 2HB ALA 118 21.866 9.093 0.961 965 HB3 ALA 118 3HB ALA 118 21.901 8.933 -0.796 966 HA PRO 119 HA PRO 119 18.378 5.190 -2.605 967 HB2 PRO 119 2HB PRO 119 16.940 6.672 -4.457 968 HB3 PRO 119 1HB PRO 119 16.283 6.169 -2.886 969 HG2 PRO 119 2HG PRO 119 17.481 8.815 -3.653 970 HG3 PRO 119 1HG PRO 119 15.992 8.477 -2.738 971 HD2 PRO 119 2HD PRO 119 18.271 9.160 -1.473 972 HD3 PRO 119 1HD PRO 119 17.154 7.970 -0.767 973 H GLY 120 H GLY 120 19.059 4.421 -4.650 974 HA2 GLY 120 2HA GLY 120 20.761 6.040 -6.393 975 HA3 GLY 120 1HA GLY 120 21.591 4.799 -5.460 976 H ALA 121 H ALA 121 19.142 5.392 -7.898 977 HA ALA 121 HA ALA 121 19.649 2.793 -9.171 978 HB1 ALA 121 1HB ALA 121 17.240 2.285 -9.376 979 HB2 ALA 121 2HB ALA 121 16.838 3.711 -8.415 980 HB3 ALA 121 3HB ALA 121 17.712 2.366 -7.677 981 H SER 122 H SER 122 18.162 2.792 -11.300 982 HA SER 122 HA SER 122 18.589 5.315 -12.727 983 HB2 SER 122 2HB SER 122 17.557 2.608 -13.711 984 HB3 SER 122 1HB SER 122 17.991 3.981 -14.732 985 HG SER 122 HG SER 122 20.089 3.636 -13.293 Start of MODEL 18 1 H1 MET 1 1H MET 1 3.822 3.647 20.375 2 H2 MET 1 2H MET 1 4.050 2.352 21.433 3 H3 MET 1 3H MET 1 2.640 3.271 21.520 4 HA MET 1 HA MET 1 3.467 1.589 19.245 5 HB2 MET 1 2HB MET 1 2.831 0.193 21.127 6 HB3 MET 1 1HB MET 1 1.391 1.154 21.433 7 HG2 MET 1 2HG MET 1 0.864 -1.012 20.393 8 HG3 MET 1 1HG MET 1 0.373 0.344 19.381 9 HE1 MET 1 1HE MET 1 0.545 -2.643 18.250 10 HE2 MET 1 2HE MET 1 1.327 -2.334 16.701 11 HE3 MET 1 3HE MET 1 0.073 -1.240 17.285 12 H THR 2 H THR 2 1.596 4.282 20.313 13 HA THR 2 HA THR 2 -0.785 4.150 18.884 14 HB THR 2 HB THR 2 0.847 6.631 19.585 15 HG1 THR 2 HG1 THR 2 -1.358 5.738 21.088 16 HG21 THR 2 1HG2 THR 2 -1.296 7.859 19.554 17 HG22 THR 2 2HG2 THR 2 -2.145 6.409 19.019 18 HG23 THR 2 3HG2 THR 2 -0.957 7.175 17.963 19 H SER 3 H SER 3 2.327 5.611 17.808 20 HA SER 3 HA SER 3 1.510 6.450 15.231 21 HB2 SER 3 2HB SER 3 3.595 7.273 16.252 22 HB3 SER 3 1HB SER 3 4.287 5.653 16.210 23 HG SER 3 HG SER 3 4.166 7.536 14.246 24 H THR 4 H THR 4 2.822 3.393 16.445 25 HA THR 4 HA THR 4 3.174 2.089 13.938 26 HB THR 4 HB THR 4 2.774 0.717 16.645 27 HG1 THR 4 HG1 THR 4 5.246 0.820 16.449 28 HG21 THR 4 1HG2 THR 4 4.239 -1.035 15.696 29 HG22 THR 4 2HG2 THR 4 4.331 -0.154 14.172 30 HG23 THR 4 3HG2 THR 4 2.790 -0.832 14.702 31 H VAL 5 H VAL 5 0.448 2.350 16.177 32 HA VAL 5 HA VAL 5 -1.255 0.362 15.082 33 HB VAL 5 HB VAL 5 -1.906 2.903 16.662 34 HG11 VAL 5 1HG1 VAL 5 -3.898 2.276 15.347 35 HG12 VAL 5 2HG1 VAL 5 -4.160 2.001 17.067 36 HG13 VAL 5 3HG1 VAL 5 -3.829 0.637 15.998 37 HG21 VAL 5 1HG2 VAL 5 -0.616 1.239 17.925 38 HG22 VAL 5 2HG2 VAL 5 -1.808 -0.006 17.548 39 HG23 VAL 5 3HG2 VAL 5 -2.256 1.366 18.565 40 H GLU 6 H GLU 6 -1.050 3.903 14.570 41 HA GLU 6 HA GLU 6 -2.935 4.107 12.471 42 HB2 GLU 6 2HB GLU 6 -0.481 5.825 13.044 43 HB3 GLU 6 1HB GLU 6 -1.762 6.261 11.915 44 HG2 GLU 6 2HG GLU 6 -2.098 5.851 14.899 45 HG3 GLU 6 1HG GLU 6 -2.005 7.408 14.075 46 H PHE 7 H PHE 7 0.514 3.426 12.471 47 HA PHE 7 HA PHE 7 1.098 3.693 9.741 48 HB2 PHE 7 2HB PHE 7 2.790 3.644 11.568 49 HB3 PHE 7 1HB PHE 7 2.450 1.944 11.850 50 HD1 PHE 7 HD1 PHE 7 3.513 4.259 9.091 51 HD2 PHE 7 HD2 PHE 7 3.898 0.376 10.848 52 HE1 PHE 7 HE1 PHE 7 5.271 3.696 7.473 53 HE2 PHE 7 HE2 PHE 7 5.652 -0.179 9.220 54 HZ PHE 7 HZ PHE 7 6.334 1.477 7.536 55 H ILE 8 H ILE 8 0.253 0.797 11.667 56 HA ILE 8 HA ILE 8 0.242 -1.124 9.601 57 HB ILE 8 HB ILE 8 -1.424 -1.099 12.173 58 HG12 ILE 8 2HG1 ILE 8 1.197 -2.561 11.586 59 HG13 ILE 8 1HG1 ILE 8 1.061 -1.092 12.543 60 HG21 ILE 8 1HG2 ILE 8 -1.710 -3.546 11.847 61 HG22 ILE 8 2HG2 ILE 8 -0.885 -3.436 10.293 62 HG23 ILE 8 3HG2 ILE 8 -2.435 -2.628 10.521 63 HD11 ILE 8 1HD1 ILE 8 1.273 -2.977 13.993 64 HD12 ILE 8 2HD1 ILE 8 -0.080 -3.796 13.220 65 HD13 ILE 8 3HD1 ILE 8 -0.356 -2.324 14.159 66 H ASN 9 H ASN 9 -2.402 0.827 11.041 67 HA ASN 9 HA ASN 9 -4.538 -0.255 9.579 68 HB2 ASN 9 2HB ASN 9 -4.850 1.083 11.642 69 HB3 ASN 9 1HB ASN 9 -4.304 2.533 10.803 70 HD21 ASN 9 1HD2 ASN 9 -6.900 0.159 11.012 71 HD22 ASN 9 2HD2 ASN 9 -8.104 1.124 10.231 72 H ARG 10 H ARG 10 -2.306 2.339 8.769 73 HA ARG 10 HA ARG 10 -3.770 3.268 6.455 74 HB2 ARG 10 2HB ARG 10 -0.972 3.877 7.470 75 HB3 ARG 10 1HB ARG 10 -1.669 4.620 6.034 76 HG2 ARG 10 2HG ARG 10 -3.428 5.656 7.359 77 HG3 ARG 10 1HG ARG 10 -2.856 4.835 8.813 78 HD2 ARG 10 2HD ARG 10 -0.678 6.073 8.581 79 HD3 ARG 10 1HD ARG 10 -1.393 6.982 7.237 80 HE ARG 10 HE ARG 10 -3.175 7.242 9.294 81 HH11 ARG 10 1HH1 ARG 10 0.211 8.091 8.895 82 HH12 ARG 10 2HH1 ARG 10 0.124 9.417 10.009 83 HH21 ARG 10 1HH2 ARG 10 -3.280 8.937 10.749 84 HH22 ARG 10 2HH2 ARG 10 -1.870 9.899 11.068 85 H TRP 11 H TRP 11 -0.924 1.141 7.013 86 HA TRP 11 HA TRP 11 -0.561 0.569 4.220 87 HB2 TRP 11 2HB TRP 11 0.507 -0.692 6.752 88 HB3 TRP 11 1HB TRP 11 0.675 -1.567 5.230 89 HD1 TRP 11 HD1 TRP 11 2.521 0.866 7.262 90 HE1 TRP 11 HE1 TRP 11 4.372 1.990 5.879 91 HE3 TRP 11 HE3 TRP 11 0.986 -0.454 2.547 92 HZ2 TRP 11 HZ2 TRP 11 5.100 2.293 3.185 93 HZ3 TRP 11 HZ3 TRP 11 2.318 0.312 0.618 94 HH2 TRP 11 HH2 TRP 11 4.335 1.661 0.934 95 H GLN 12 H GLN 12 -2.677 -0.731 6.673 96 HA GLN 12 HA GLN 12 -3.644 -2.990 5.234 97 HB2 GLN 12 2HB GLN 12 -5.083 -1.242 7.297 98 HB3 GLN 12 1HB GLN 12 -5.735 -2.737 6.631 99 HG2 GLN 12 2HG GLN 12 -3.830 -3.968 7.637 100 HG3 GLN 12 1HG GLN 12 -3.281 -2.468 8.375 101 HE21 GLN 12 1HE2 GLN 12 -5.802 -4.909 8.368 102 HE22 GLN 12 2HE2 GLN 12 -6.472 -4.493 9.912 103 H ARG 13 H ARG 13 -4.535 0.418 5.471 104 HA ARG 13 HA ARG 13 -6.864 0.371 3.923 105 HB2 ARG 13 2HB ARG 13 -6.201 2.253 5.433 106 HB3 ARG 13 1HB ARG 13 -4.915 2.687 4.312 107 HG2 ARG 13 2HG ARG 13 -6.762 4.188 3.949 108 HG3 ARG 13 1HG ARG 13 -6.648 3.116 2.555 109 HD2 ARG 13 2HD ARG 13 -8.493 1.727 3.546 110 HD3 ARG 13 1HD ARG 13 -8.653 2.921 4.837 111 HE ARG 13 HE ARG 13 -9.679 3.089 2.174 112 HH11 ARG 13 1HH1 ARG 13 -8.470 5.124 4.783 113 HH12 ARG 13 2HH1 ARG 13 -9.338 6.524 4.245 114 HH21 ARG 13 1HH2 ARG 13 -10.806 4.929 1.497 115 HH22 ARG 13 2HH2 ARG 13 -10.662 6.411 2.386 116 H ILE 14 H ILE 14 -3.456 0.992 2.969 117 HA ILE 14 HA ILE 14 -3.994 1.456 0.192 118 HB ILE 14 HB ILE 14 -1.371 0.480 1.440 119 HG12 ILE 14 2HG1 ILE 14 -2.228 3.366 0.872 120 HG13 ILE 14 1HG1 ILE 14 -2.180 2.629 2.468 121 HG21 ILE 14 1HG2 ILE 14 -0.289 1.445 -0.561 122 HG22 ILE 14 2HG2 ILE 14 -1.862 1.909 -1.210 123 HG23 ILE 14 3HG2 ILE 14 -1.458 0.204 -1.019 124 HD11 ILE 14 1HD1 ILE 14 0.212 3.028 0.676 125 HD12 ILE 14 2HD1 ILE 14 0.223 2.364 2.313 126 HD13 ILE 14 3HD1 ILE 14 -0.246 4.040 2.044 127 H ALA 15 H ALA 15 -2.961 -1.420 2.056 128 HA ALA 15 HA ALA 15 -2.598 -3.286 -0.000 129 HB1 ALA 15 1HB ALA 15 -2.916 -5.009 1.744 130 HB2 ALA 15 2HB ALA 15 -3.612 -3.796 2.825 131 HB3 ALA 15 3HB ALA 15 -1.919 -3.682 2.341 132 H LEU 16 H LEU 16 -5.476 -2.493 1.840 133 HA LEU 16 HA LEU 16 -7.152 -4.559 0.773 134 HB2 LEU 16 2HB LEU 16 -7.783 -2.152 2.528 135 HB3 LEU 16 1HB LEU 16 -8.995 -3.331 2.054 136 HG LEU 16 HG LEU 16 -6.523 -3.962 3.725 137 HD11 LEU 16 1HD1 LEU 16 -9.409 -3.678 4.637 138 HD12 LEU 16 2HD1 LEU 16 -8.098 -2.543 4.969 139 HD13 LEU 16 3HD1 LEU 16 -8.040 -4.170 5.641 140 HD21 LEU 16 1HD2 LEU 16 -7.238 -5.885 2.403 141 HD22 LEU 16 2HD2 LEU 16 -8.888 -5.722 3.009 142 HD23 LEU 16 3HD2 LEU 16 -7.578 -6.146 4.115 143 H LEU 17 H LEU 17 -6.903 -1.016 0.318 144 HA LEU 17 HA LEU 17 -9.069 -0.712 -1.455 145 HB2 LEU 17 2HB LEU 17 -6.561 0.968 -1.097 146 HB3 LEU 17 1HB LEU 17 -7.765 1.372 -2.309 147 HG LEU 17 HG LEU 17 -8.223 1.307 0.700 148 HD11 LEU 17 1HD1 LEU 17 -8.153 3.657 -1.226 149 HD12 LEU 17 2HD1 LEU 17 -6.896 3.235 -0.060 150 HD13 LEU 17 3HD1 LEU 17 -8.487 3.734 0.508 151 HD21 LEU 17 1HD2 LEU 17 -10.239 0.560 -0.455 152 HD22 LEU 17 2HD2 LEU 17 -10.187 1.961 -1.525 153 HD23 LEU 17 3HD2 LEU 17 -10.479 2.177 0.203 154 H SER 18 H SER 18 -5.582 -1.166 -2.161 155 HA SER 18 HA SER 18 -5.850 -1.087 -4.992 156 HB2 SER 18 2HB SER 18 -3.520 -1.957 -5.016 157 HB3 SER 18 1HB SER 18 -3.698 -0.640 -3.853 158 HG SER 18 HG SER 18 -3.071 -1.976 -2.375 159 H GLN 19 H GLN 19 -5.914 -3.739 -2.619 160 HA GLN 19 HA GLN 19 -5.991 -5.885 -4.488 161 HB2 GLN 19 2HB GLN 19 -5.410 -6.122 -2.059 162 HB3 GLN 19 1HB GLN 19 -7.093 -5.833 -1.645 163 HG2 GLN 19 2HG GLN 19 -6.420 -8.243 -1.589 164 HG3 GLN 19 1HG GLN 19 -7.774 -7.911 -2.668 165 HE21 GLN 19 1HE2 GLN 19 -4.348 -8.704 -2.541 166 HE22 GLN 19 2HE2 GLN 19 -4.215 -9.236 -4.176 167 H SER 20 H SER 20 -8.499 -3.920 -2.963 168 HA SER 20 HA SER 20 -10.745 -5.262 -4.100 169 HB2 SER 20 2HB SER 20 -10.455 -2.432 -3.006 170 HB3 SER 20 1HB SER 20 -11.990 -3.174 -3.452 171 HG SER 20 HG SER 20 -11.074 -4.929 -1.906 172 H LEU 21 H LEU 21 -8.600 -2.675 -5.193 173 HA LEU 21 HA LEU 21 -10.164 -1.896 -7.477 174 HB2 LEU 21 2HB LEU 21 -7.222 -1.373 -6.835 175 HB3 LEU 21 1HB LEU 21 -8.091 -0.662 -8.185 176 HG LEU 21 HG LEU 21 -8.513 -0.116 -5.233 177 HD11 LEU 21 1HD1 LEU 21 -7.957 2.204 -5.820 178 HD12 LEU 21 2HD1 LEU 21 -7.703 1.725 -7.500 179 HD13 LEU 21 3HD1 LEU 21 -6.649 1.095 -6.232 180 HD21 LEU 21 1HD2 LEU 21 -10.722 -0.277 -6.231 181 HD22 LEU 21 2HD2 LEU 21 -10.255 0.836 -7.517 182 HD23 LEU 21 3HD2 LEU 21 -10.343 1.400 -5.849 183 H LEU 22 H LEU 22 -7.670 -4.255 -6.796 184 HA LEU 22 HA LEU 22 -7.087 -5.041 -9.461 185 HB2 LEU 22 2HB LEU 22 -5.624 -5.609 -7.537 186 HB3 LEU 22 1HB LEU 22 -6.884 -6.641 -6.877 187 HG LEU 22 HG LEU 22 -6.671 -8.161 -8.844 188 HD11 LEU 22 1HD1 LEU 22 -4.401 -6.350 -9.733 189 HD12 LEU 22 2HD1 LEU 22 -5.950 -6.573 -10.550 190 HD13 LEU 22 3HD1 LEU 22 -4.817 -7.916 -10.437 191 HD21 LEU 22 1HD2 LEU 22 -4.503 -9.140 -8.259 192 HD22 LEU 22 2HD2 LEU 22 -5.365 -8.621 -6.814 193 HD23 LEU 22 3HD2 LEU 22 -4.026 -7.652 -7.436 194 H GLU 23 H GLU 23 -9.257 -6.337 -6.969 195 HA GLU 23 HA GLU 23 -10.648 -8.293 -8.317 196 HB2 GLU 23 2HB GLU 23 -11.468 -6.295 -6.186 197 HB3 GLU 23 1HB GLU 23 -12.617 -7.484 -6.781 198 HG2 GLU 23 2HG GLU 23 -9.927 -8.219 -5.603 199 HG3 GLU 23 1HG GLU 23 -11.407 -8.086 -4.650 200 H LEU 24 H LEU 24 -11.598 -4.869 -8.053 201 HA LEU 24 HA LEU 24 -13.894 -4.976 -9.643 202 HB2 LEU 24 2HB LEU 24 -12.077 -2.632 -8.954 203 HB3 LEU 24 1HB LEU 24 -13.641 -2.451 -9.736 204 HG LEU 24 HG LEU 24 -13.235 -3.653 -6.970 205 HD11 LEU 24 1HD1 LEU 24 -14.113 -1.569 -6.054 206 HD12 LEU 24 2HD1 LEU 24 -14.199 -0.871 -7.671 207 HD13 LEU 24 3HD1 LEU 24 -12.634 -1.278 -6.971 208 HD21 LEU 24 1HD2 LEU 24 -15.232 -4.522 -8.069 209 HD22 LEU 24 2HD2 LEU 24 -15.791 -2.882 -8.406 210 HD23 LEU 24 3HD2 LEU 24 -15.672 -3.450 -6.739 211 H ALA 25 H ALA 25 -10.557 -4.049 -10.497 212 HA ALA 25 HA ALA 25 -10.999 -3.174 -13.134 213 HB1 ALA 25 1HB ALA 25 -8.487 -4.446 -11.998 214 HB2 ALA 25 2HB ALA 25 -8.920 -2.745 -11.878 215 HB3 ALA 25 3HB ALA 25 -8.594 -3.444 -13.460 216 H GLN 26 H GLN 26 -10.059 -6.401 -11.901 217 HA GLN 26 HA GLN 26 -9.921 -7.718 -14.430 218 HB2 GLN 26 2HB GLN 26 -10.405 -8.858 -11.641 219 HB3 GLN 26 1HB GLN 26 -10.042 -9.829 -13.067 220 HG2 GLN 26 2HG GLN 26 -7.835 -8.848 -13.258 221 HG3 GLN 26 1HG GLN 26 -8.179 -7.702 -11.961 222 HE21 GLN 26 1HE2 GLN 26 -6.042 -9.670 -12.130 223 HE22 GLN 26 2HE2 GLN 26 -6.211 -10.677 -10.740 224 H ARG 27 H ARG 27 -12.547 -7.115 -12.173 225 HA ARG 27 HA ARG 27 -14.504 -8.719 -13.626 226 HB2 ARG 27 2HB ARG 27 -14.804 -6.791 -11.274 227 HB3 ARG 27 1HB ARG 27 -16.087 -7.830 -11.898 228 HG2 ARG 27 2HG ARG 27 -14.821 -9.841 -11.279 229 HG3 ARG 27 1HG ARG 27 -13.452 -8.851 -10.781 230 HD2 ARG 27 2HD ARG 27 -14.923 -7.837 -8.998 231 HD3 ARG 27 1HD ARG 27 -16.171 -9.009 -9.433 232 HE ARG 27 HE ARG 27 -13.680 -9.508 -8.000 233 HH11 ARG 27 1HH1 ARG 27 -16.415 -11.017 -9.634 234 HH12 ARG 27 2HH1 ARG 27 -16.168 -12.548 -8.863 235 HH21 ARG 27 1HH2 ARG 27 -13.366 -11.513 -7.030 236 HH22 ARG 27 2HH2 ARG 27 -14.442 -12.833 -7.386 237 H GLY 28 H GLY 28 -13.108 -5.726 -14.157 238 HA2 GLY 28 2HA GLY 28 -13.427 -4.561 -16.168 239 HA3 GLY 28 1HA GLY 28 -15.071 -5.159 -16.265 240 H GLU 29 H GLU 29 -14.598 -4.048 -13.197 241 HA GLU 29 HA GLU 29 -16.136 -1.639 -13.616 242 HB2 GLU 29 2HB GLU 29 -15.058 -2.870 -11.044 243 HB3 GLU 29 1HB GLU 29 -16.245 -1.577 -11.158 244 HG2 GLU 29 2HG GLU 29 -16.612 -4.447 -12.051 245 HG3 GLU 29 1HG GLU 29 -17.347 -3.679 -10.642 246 H TRP 30 H TRP 30 -14.311 -0.666 -14.875 247 HA TRP 30 HA TRP 30 -11.838 0.110 -13.680 248 HB2 TRP 30 2HB TRP 30 -13.182 1.388 -16.106 249 HB3 TRP 30 1HB TRP 30 -11.469 1.434 -15.700 250 HD1 TRP 30 HD1 TRP 30 -13.913 -0.483 -17.738 251 HE1 TRP 30 HE1 TRP 30 -12.817 -2.590 -18.710 252 HE3 TRP 30 HE3 TRP 30 -9.623 -0.557 -14.932 253 HZ2 TRP 30 HZ2 TRP 30 -10.473 -4.078 -18.355 254 HZ3 TRP 30 HZ3 TRP 30 -8.005 -2.373 -15.319 255 HH2 TRP 30 HH2 TRP 30 -8.432 -4.097 -16.996 256 H ASP 31 H ASP 31 -14.942 1.725 -14.157 257 HA ASP 31 HA ASP 31 -14.179 4.361 -13.504 258 HB2 ASP 31 2HB ASP 31 -16.890 2.982 -13.331 259 HB3 ASP 31 1HB ASP 31 -16.672 4.703 -13.023 260 H LEU 32 H LEU 32 -15.090 1.624 -11.500 261 HA LEU 32 HA LEU 32 -15.416 3.087 -9.067 262 HB2 LEU 32 2HB LEU 32 -14.828 0.127 -9.443 263 HB3 LEU 32 1HB LEU 32 -15.385 0.887 -7.958 264 HG LEU 32 HG LEU 32 -16.951 0.582 -10.547 265 HD11 LEU 32 1HD1 LEU 32 -16.832 -1.444 -9.183 266 HD12 LEU 32 2HD1 LEU 32 -18.470 -0.802 -9.239 267 HD13 LEU 32 3HD1 LEU 32 -17.480 -0.565 -7.796 268 HD21 LEU 32 1HD2 LEU 32 -17.474 2.780 -9.611 269 HD22 LEU 32 2HD2 LEU 32 -17.831 2.054 -8.043 270 HD23 LEU 32 3HD2 LEU 32 -18.847 1.686 -9.438 271 H LEU 33 H LEU 33 -12.610 1.658 -10.690 272 HA LEU 33 HA LEU 33 -10.696 2.102 -8.609 273 HB2 LEU 33 2HB LEU 33 -10.388 1.904 -11.629 274 HB3 LEU 33 1HB LEU 33 -9.023 2.334 -10.615 275 HG LEU 33 HG LEU 33 -9.325 0.144 -9.393 276 HD11 LEU 33 1HD1 LEU 33 -11.642 -0.324 -9.930 277 HD12 LEU 33 2HD1 LEU 33 -10.595 -1.646 -10.438 278 HD13 LEU 33 3HD1 LEU 33 -11.231 -0.516 -11.638 279 HD21 LEU 33 1HD2 LEU 33 -8.719 -0.044 -12.358 280 HD22 LEU 33 2HD2 LEU 33 -8.222 -1.201 -11.118 281 HD23 LEU 33 3HD2 LEU 33 -7.590 0.443 -11.090 282 H LEU 34 H LEU 34 -11.775 4.045 -11.372 283 HA LEU 34 HA LEU 34 -10.131 6.305 -10.995 284 HB2 LEU 34 2HB LEU 34 -12.904 6.192 -12.248 285 HB3 LEU 34 1HB LEU 34 -11.730 7.482 -12.483 286 HG LEU 34 HG LEU 34 -11.411 4.597 -13.405 287 HD11 LEU 34 1HD1 LEU 34 -11.620 5.472 -15.681 288 HD12 LEU 34 2HD1 LEU 34 -11.920 7.092 -15.048 289 HD13 LEU 34 3HD1 LEU 34 -13.071 5.792 -14.733 290 HD21 LEU 34 1HD2 LEU 34 -9.232 5.532 -12.822 291 HD22 LEU 34 2HD2 LEU 34 -9.536 6.943 -13.838 292 HD23 LEU 34 3HD2 LEU 34 -9.378 5.344 -14.569 293 H GLN 35 H GLN 35 -13.259 5.479 -9.593 294 HA GLN 35 HA GLN 35 -13.770 7.965 -8.269 295 HB2 GLN 35 2HB GLN 35 -14.994 5.231 -8.303 296 HB3 GLN 35 1HB GLN 35 -15.193 6.097 -6.789 297 HG2 GLN 35 2HG GLN 35 -17.141 6.513 -8.047 298 HG3 GLN 35 1HG GLN 35 -16.214 8.001 -8.095 299 HE21 GLN 35 1HE2 GLN 35 -14.454 7.394 -10.286 300 HE22 GLN 35 2HE2 GLN 35 -15.397 7.221 -11.696 301 H GLN 36 H GLN 36 -12.578 4.775 -7.118 302 HA GLN 36 HA GLN 36 -12.053 5.617 -4.459 303 HB2 GLN 36 2HB GLN 36 -11.012 3.180 -5.956 304 HB3 GLN 36 1HB GLN 36 -10.806 3.451 -4.227 305 HG2 GLN 36 2HG GLN 36 -13.452 3.147 -5.665 306 HG3 GLN 36 1HG GLN 36 -12.659 1.914 -4.691 307 HE21 GLN 36 1HE2 GLN 36 -15.283 3.291 -4.441 308 HE22 GLN 36 2HE2 GLN 36 -15.321 3.916 -2.837 309 H GLU 37 H GLU 37 -10.267 6.119 -7.327 310 HA GLU 37 HA GLU 37 -7.644 6.312 -6.613 311 HB2 GLU 37 2HB GLU 37 -8.465 6.853 -8.865 312 HB3 GLU 37 1HB GLU 37 -9.235 8.320 -8.265 313 HG2 GLU 37 2HG GLU 37 -6.975 9.223 -7.672 314 HG3 GLU 37 1HG GLU 37 -6.242 7.767 -8.342 315 H VAL 38 H VAL 38 -10.228 8.626 -5.750 316 HA VAL 38 HA VAL 38 -8.673 10.674 -4.598 317 HB VAL 38 HB VAL 38 -11.462 9.797 -3.676 318 HG11 VAL 38 1HG1 VAL 38 -10.406 11.382 -2.122 319 HG12 VAL 38 2HG1 VAL 38 -11.749 12.151 -2.965 320 HG13 VAL 38 3HG1 VAL 38 -10.088 12.508 -3.446 321 HG21 VAL 38 1HG2 VAL 38 -10.745 11.748 -5.904 322 HG22 VAL 38 2HG2 VAL 38 -12.374 11.417 -5.304 323 HG23 VAL 38 3HG2 VAL 38 -11.457 10.144 -6.110 324 H SER 39 H SER 39 -10.181 7.822 -3.071 325 HA SER 39 HA SER 39 -9.218 8.213 -0.432 326 HB2 SER 39 2HB SER 39 -10.077 5.627 -1.805 327 HB3 SER 39 1HB SER 39 -9.975 5.894 -0.062 328 HG SER 39 HG SER 39 -11.484 7.791 -0.723 329 H TYR 40 H TYR 40 -7.999 6.451 -3.219 330 HA TYR 40 HA TYR 40 -5.875 4.983 -2.153 331 HB2 TYR 40 2HB TYR 40 -6.783 4.659 -4.448 332 HB3 TYR 40 1HB TYR 40 -6.202 6.239 -4.927 333 HD1 TYR 40 HD1 TYR 40 -5.340 2.719 -4.538 334 HD2 TYR 40 HD2 TYR 40 -3.686 6.607 -5.204 335 HE1 TYR 40 HE1 TYR 40 -3.284 1.703 -5.401 336 HE2 TYR 40 HE2 TYR 40 -1.619 5.582 -6.063 337 HH TYR 40 HH TYR 40 -0.434 3.229 -5.740 338 H LEU 41 H LEU 41 -5.945 8.236 -3.642 339 HA LEU 41 HA LEU 41 -3.242 8.897 -3.376 340 HB2 LEU 41 2HB LEU 41 -5.526 10.924 -3.301 341 HB3 LEU 41 1HB LEU 41 -3.850 11.235 -3.714 342 HG LEU 41 HG LEU 41 -5.974 9.879 -5.375 343 HD11 LEU 41 1HD1 LEU 41 -4.172 12.232 -5.958 344 HD12 LEU 41 2HD1 LEU 41 -5.883 12.295 -5.527 345 HD13 LEU 41 3HD1 LEU 41 -5.387 11.557 -7.047 346 HD21 LEU 41 1HD2 LEU 41 -4.045 8.417 -5.572 347 HD22 LEU 41 2HD2 LEU 41 -3.014 9.792 -5.981 348 HD23 LEU 41 3HD2 LEU 41 -4.313 9.306 -7.072 349 H GLN 42 H GLN 42 -6.042 9.875 -1.348 350 HA GLN 42 HA GLN 42 -4.694 11.449 0.480 351 HB2 GLN 42 2HB GLN 42 -7.180 11.313 0.316 352 HB3 GLN 42 1HB GLN 42 -7.137 9.722 1.075 353 HG2 GLN 42 2HG GLN 42 -6.086 10.785 3.098 354 HG3 GLN 42 1HG GLN 42 -6.316 12.361 2.344 355 HE21 GLN 42 1HE2 GLN 42 -7.379 11.290 4.853 356 HE22 GLN 42 2HE2 GLN 42 -9.099 11.426 4.741 357 H SER 43 H SER 43 -5.396 7.959 0.744 358 HA SER 43 HA SER 43 -4.282 7.572 3.318 359 HB2 SER 43 2HB SER 43 -4.710 5.529 1.096 360 HB3 SER 43 1HB SER 43 -4.455 5.164 2.806 361 HG SER 43 HG SER 43 -6.672 6.383 1.569 362 H ILE 44 H ILE 44 -2.928 6.847 0.067 363 HA ILE 44 HA ILE 44 -0.518 5.695 1.028 364 HB ILE 44 HB ILE 44 -1.585 5.263 -1.243 365 HG12 ILE 44 2HG1 ILE 44 1.389 5.951 -1.343 366 HG13 ILE 44 1HG1 ILE 44 0.719 4.463 -0.684 367 HG21 ILE 44 1HG2 ILE 44 -1.036 6.700 -3.147 368 HG22 ILE 44 2HG2 ILE 44 -0.206 7.835 -2.081 369 HG23 ILE 44 3HG2 ILE 44 -1.948 7.606 -1.936 370 HD11 ILE 44 1HD1 ILE 44 0.526 5.352 -3.569 371 HD12 ILE 44 2HD1 ILE 44 -0.144 3.861 -2.898 372 HD13 ILE 44 3HD1 ILE 44 1.597 4.114 -2.911 373 H GLU 45 H GLU 45 -1.348 8.961 -0.007 374 HA GLU 45 HA GLU 45 1.202 10.159 0.112 375 HB2 GLU 45 2HB GLU 45 -1.597 11.310 0.474 376 HB3 GLU 45 1HB GLU 45 -0.153 12.316 0.454 377 HG2 GLU 45 2HG GLU 45 -0.964 10.504 -1.836 378 HG3 GLU 45 1HG GLU 45 -1.452 12.190 -1.713 379 H THR 46 H THR 46 -1.416 9.834 2.535 380 HA THR 46 HA THR 46 -0.130 11.253 4.614 381 HB THR 46 HB THR 46 -2.301 9.115 4.835 382 HG1 THR 46 HG1 THR 46 -2.575 11.235 3.607 383 HG21 THR 46 1HG2 THR 46 -1.446 11.230 6.864 384 HG22 THR 46 2HG2 THR 46 -1.258 9.484 7.052 385 HG23 THR 46 3HG2 THR 46 -2.870 10.197 7.011 386 H VAL 47 H VAL 47 0.212 7.904 3.550 387 HA VAL 47 HA VAL 47 1.756 7.044 5.827 388 HB VAL 47 HB VAL 47 1.722 5.888 2.996 389 HG11 VAL 47 1HG1 VAL 47 3.737 5.187 4.224 390 HG12 VAL 47 2HG1 VAL 47 2.629 3.828 4.045 391 HG13 VAL 47 3HG1 VAL 47 2.752 4.666 5.593 392 HG21 VAL 47 1HG2 VAL 47 0.147 5.086 5.470 393 HG22 VAL 47 2HG2 VAL 47 0.144 4.224 3.931 394 HG23 VAL 47 3HG2 VAL 47 -0.501 5.861 4.024 395 H MET 48 H MET 48 2.661 8.146 2.524 396 HA MET 48 HA MET 48 5.480 7.761 2.953 397 HB2 MET 48 2HB MET 48 4.011 9.162 0.679 398 HB3 MET 48 1HB MET 48 5.728 8.779 0.676 399 HG2 MET 48 2HG MET 48 5.158 6.358 0.833 400 HG3 MET 48 1HG MET 48 3.449 6.780 0.749 401 HE1 MET 48 1HE MET 48 3.225 8.266 -2.919 402 HE2 MET 48 2HE MET 48 3.446 9.162 -1.416 403 HE3 MET 48 3HE MET 48 2.288 7.830 -1.487 404 H GLU 49 H GLU 49 3.341 10.439 3.423 405 HA GLU 49 HA GLU 49 5.395 12.483 3.633 406 HB2 GLU 49 2HB GLU 49 2.400 12.436 4.169 407 HB3 GLU 49 1HB GLU 49 3.382 13.844 4.554 408 HG2 GLU 49 2HG GLU 49 3.191 12.633 1.780 409 HG3 GLU 49 1HG GLU 49 2.174 13.954 2.351 410 H LYS 50 H LYS 50 3.912 10.163 5.720 411 HA LYS 50 HA LYS 50 4.678 11.621 8.166 412 HB2 LYS 50 2HB LYS 50 2.639 9.488 7.584 413 HB3 LYS 50 1HB LYS 50 3.375 9.470 9.179 414 HG2 LYS 50 2HG LYS 50 1.257 10.701 9.178 415 HG3 LYS 50 1HG LYS 50 2.611 11.740 9.624 416 HD2 LYS 50 2HD LYS 50 2.615 12.693 7.324 417 HD3 LYS 50 1HD LYS 50 1.245 11.661 6.899 418 HE2 LYS 50 2HE LYS 50 -0.104 12.778 8.665 419 HE3 LYS 50 1HE LYS 50 1.265 13.833 9.022 420 HZ1 LYS 50 1HZ LYS 50 -0.159 13.678 6.426 421 HZ2 LYS 50 2HZ LYS 50 1.124 14.709 6.784 422 HZ3 LYS 50 3HZ LYS 50 -0.353 14.895 7.577 423 H GLN 51 H GLN 51 5.436 10.243 9.960 424 HA GLN 51 HA GLN 51 7.977 9.091 9.113 425 HB2 GLN 51 2HB GLN 51 7.916 10.961 10.722 426 HB3 GLN 51 1HB GLN 51 6.915 10.019 11.816 427 HG2 GLN 51 2HG GLN 51 8.798 8.425 12.124 428 HG3 GLN 51 1HG GLN 51 9.794 9.419 11.065 429 HE21 GLN 51 1HE2 GLN 51 8.724 11.966 12.164 430 HE22 GLN 51 2HE2 GLN 51 9.444 12.126 13.724 431 H THR 52 H THR 52 8.428 6.978 9.298 432 HA THR 52 HA THR 52 6.670 5.039 10.516 433 HB THR 52 HB THR 52 9.507 4.767 9.411 434 HG1 THR 52 HG1 THR 52 7.088 5.037 8.216 435 HG21 THR 52 1HG2 THR 52 9.013 2.333 9.248 436 HG22 THR 52 2HG2 THR 52 7.466 2.596 10.052 437 HG23 THR 52 3HG2 THR 52 8.970 2.882 10.928 438 HA PRO 53 HA PRO 53 8.602 5.630 14.655 439 HB2 PRO 53 2HB PRO 53 7.379 3.511 15.942 440 HB3 PRO 53 1HB PRO 53 6.530 5.025 15.565 441 HG2 PRO 53 2HG PRO 53 6.510 2.438 14.036 442 HG3 PRO 53 1HG PRO 53 5.139 3.472 14.509 443 HD2 PRO 53 2HD PRO 53 6.159 3.582 12.020 444 HD3 PRO 53 1HD PRO 53 5.572 5.049 12.838 445 HA PRO 54 HA PRO 54 11.977 2.553 14.653 446 HB2 PRO 54 2HB PRO 54 12.448 3.078 17.537 447 HB3 PRO 54 1HB PRO 54 13.459 3.502 16.144 448 HG2 PRO 54 2HG PRO 54 12.144 5.375 17.602 449 HG3 PRO 54 1HG PRO 54 12.470 5.571 15.865 450 HD2 PRO 54 2HD PRO 54 9.917 4.708 17.218 451 HD3 PRO 54 1HD PRO 54 10.156 5.842 15.865 452 H GLY 55 H GLY 55 9.940 2.546 17.596 453 HA2 GLY 55 2HA GLY 55 10.384 -0.252 18.186 454 HA3 GLY 55 1HA GLY 55 9.383 0.880 19.080 455 H ILE 56 H ILE 56 9.517 -0.872 16.021 456 HA ILE 56 HA ILE 56 6.624 -0.865 15.669 457 HB ILE 56 HB ILE 56 8.890 -2.121 14.029 458 HG12 ILE 56 2HG1 ILE 56 7.238 0.396 13.507 459 HG13 ILE 56 1HG1 ILE 56 8.917 0.367 14.034 460 HG21 ILE 56 1HG2 ILE 56 5.965 -1.888 13.265 461 HG22 ILE 56 2HG2 ILE 56 6.820 -3.379 13.659 462 HG23 ILE 56 3HG2 ILE 56 7.259 -2.468 12.214 463 HD11 ILE 56 1HD1 ILE 56 7.837 -0.572 11.386 464 HD12 ILE 56 2HD1 ILE 56 9.516 -0.732 11.904 465 HD13 ILE 56 3HD1 ILE 56 8.804 0.868 11.702 466 H THR 57 H THR 57 8.574 -3.704 15.077 467 HA THR 57 HA THR 57 9.295 -5.194 16.900 468 HB THR 57 HB THR 57 7.537 -6.860 17.675 469 HG1 THR 57 HG1 THR 57 5.619 -4.867 17.266 470 HG21 THR 57 1HG2 THR 57 6.783 -5.582 19.620 471 HG22 THR 57 2HG2 THR 57 7.225 -4.073 18.824 472 HG23 THR 57 3HG2 THR 57 8.480 -5.235 19.260 473 H ARG 58 H ARG 58 9.128 -7.636 16.468 474 HA ARG 58 HA ARG 58 9.869 -8.002 13.786 475 HB2 ARG 58 2HB ARG 58 10.758 -9.326 15.689 476 HB3 ARG 58 1HB ARG 58 9.181 -10.069 15.921 477 HG2 ARG 58 2HG ARG 58 10.668 -11.621 14.786 478 HG3 ARG 58 1HG ARG 58 9.360 -11.146 13.700 479 HD2 ARG 58 2HD ARG 58 10.915 -9.492 12.625 480 HD3 ARG 58 1HD ARG 58 12.216 -10.100 13.658 481 HE ARG 58 HE ARG 58 12.185 -12.142 12.499 482 HH11 ARG 58 1HH1 ARG 58 9.915 -9.851 11.090 483 HH12 ARG 58 2HH1 ARG 58 9.761 -10.744 9.610 484 HH21 ARG 58 1HH2 ARG 58 11.936 -13.313 10.607 485 HH22 ARG 58 2HH2 ARG 58 10.912 -12.712 9.335 486 H SER 59 H SER 59 6.989 -9.241 15.521 487 HA SER 59 HA SER 59 5.778 -10.554 13.348 488 HB2 SER 59 2HB SER 59 4.486 -9.455 15.875 489 HB3 SER 59 1HB SER 59 3.773 -10.653 14.791 490 HG SER 59 HG SER 59 5.254 -12.122 15.394 491 H ILE 60 H ILE 60 5.471 -7.222 14.540 492 HA ILE 60 HA ILE 60 3.291 -6.491 12.822 493 HB ILE 60 HB ILE 60 5.309 -4.722 14.276 494 HG12 ILE 60 2HG1 ILE 60 2.419 -5.427 14.995 495 HG13 ILE 60 1HG1 ILE 60 3.854 -6.075 15.788 496 HG21 ILE 60 1HG2 ILE 60 4.360 -3.492 12.369 497 HG22 ILE 60 2HG2 ILE 60 3.724 -2.850 13.878 498 HG23 ILE 60 3HG2 ILE 60 2.724 -3.911 12.888 499 HD11 ILE 60 1HD1 ILE 60 4.457 -3.789 16.498 500 HD12 ILE 60 2HD1 ILE 60 2.909 -4.353 17.143 501 HD13 ILE 60 3HD1 ILE 60 2.933 -3.207 15.803 502 H GLN 61 H GLN 61 6.813 -6.381 12.579 503 HA GLN 61 HA GLN 61 7.084 -4.937 10.177 504 HB2 GLN 61 2HB GLN 61 8.997 -5.467 11.648 505 HB3 GLN 61 1HB GLN 61 8.811 -7.184 11.310 506 HG2 GLN 61 2HG GLN 61 9.336 -6.694 8.897 507 HG3 GLN 61 1HG GLN 61 9.668 -5.023 9.365 508 HE21 GLN 61 1HE2 GLN 61 11.847 -5.126 8.785 509 HE22 GLN 61 2HE2 GLN 61 13.004 -6.044 9.671 510 H ASP 62 H ASP 62 6.526 -8.393 10.848 511 HA ASP 62 HA ASP 62 6.511 -9.316 8.167 512 HB2 ASP 62 2HB ASP 62 5.150 -10.413 10.655 513 HB3 ASP 62 1HB ASP 62 5.127 -11.256 9.110 514 H MET 63 H MET 63 3.864 -8.095 10.231 515 HA MET 63 HA MET 63 1.762 -8.634 8.379 516 HB2 MET 63 2HB MET 63 1.816 -6.655 10.700 517 HB3 MET 63 1HB MET 63 0.375 -7.094 9.790 518 HG2 MET 63 2HG MET 63 0.759 -9.487 10.496 519 HG3 MET 63 1HG MET 63 2.022 -8.889 11.573 520 HE1 MET 63 1HE MET 63 -0.063 -6.667 14.088 521 HE2 MET 63 2HE MET 63 0.713 -6.064 12.625 522 HE3 MET 63 3HE MET 63 1.546 -7.238 13.646 523 H VAL 64 H VAL 64 3.473 -5.594 9.145 524 HA VAL 64 HA VAL 64 2.261 -3.917 7.274 525 HB VAL 64 HB VAL 64 5.069 -3.734 8.483 526 HG11 VAL 64 1HG1 VAL 64 5.083 -1.367 7.762 527 HG12 VAL 64 2HG1 VAL 64 3.547 -1.606 6.927 528 HG13 VAL 64 3HG1 VAL 64 4.989 -2.458 6.375 529 HG21 VAL 64 1HG2 VAL 64 4.074 -2.018 9.974 530 HG22 VAL 64 2HG2 VAL 64 3.255 -3.571 10.157 531 HG23 VAL 64 3HG2 VAL 64 2.493 -2.280 9.229 532 H ALA 65 H ALA 65 5.456 -5.629 6.983 533 HA ALA 65 HA ALA 65 5.905 -4.906 4.279 534 HB1 ALA 65 1HB ALA 65 7.665 -6.592 4.219 535 HB2 ALA 65 2HB ALA 65 7.025 -7.365 5.681 536 HB3 ALA 65 3HB ALA 65 7.715 -5.743 5.764 537 H GLY 66 H GLY 66 4.091 -7.546 5.727 538 HA2 GLY 66 2HA GLY 66 3.583 -9.124 3.437 539 HA3 GLY 66 1HA GLY 66 2.537 -8.991 4.850 540 H TYR 67 H TYR 67 1.905 -6.281 4.769 541 HA TYR 67 HA TYR 67 -0.122 -6.259 2.704 542 HB2 TYR 67 2HB TYR 67 0.506 -4.383 5.006 543 HB3 TYR 67 1HB TYR 67 -0.774 -4.041 3.839 544 HD1 TYR 67 HD1 TYR 67 -1.098 -7.417 3.796 545 HD2 TYR 67 HD2 TYR 67 -1.522 -4.226 6.608 546 HE1 TYR 67 HE1 TYR 67 -2.690 -8.764 5.078 547 HE2 TYR 67 HE2 TYR 67 -3.118 -5.581 7.864 548 HH TYR 67 HH TYR 67 -3.505 -8.890 7.432 549 H ILE 68 H ILE 68 2.948 -4.619 3.189 550 HA ILE 68 HA ILE 68 2.671 -2.719 1.099 551 HB ILE 68 HB ILE 68 5.305 -4.019 1.993 552 HG12 ILE 68 2HG1 ILE 68 3.970 -1.463 3.025 553 HG13 ILE 68 1HG1 ILE 68 4.225 -2.942 3.936 554 HG21 ILE 68 1HG2 ILE 68 6.373 -1.998 1.014 555 HG22 ILE 68 2HG2 ILE 68 4.792 -1.411 0.492 556 HG23 ILE 68 3HG2 ILE 68 5.454 -2.893 -0.200 557 HD11 ILE 68 1HD1 ILE 68 5.810 -1.241 4.580 558 HD12 ILE 68 2HD1 ILE 68 6.383 -1.106 2.918 559 HD13 ILE 68 3HD1 ILE 68 6.640 -2.600 3.823 560 H LYS 69 H LYS 69 4.056 -6.006 1.291 561 HA LYS 69 HA LYS 69 4.747 -6.453 -1.361 562 HB2 LYS 69 2HB LYS 69 5.320 -8.029 0.500 563 HB3 LYS 69 1HB LYS 69 3.634 -8.513 0.614 564 HG2 LYS 69 2HG LYS 69 4.843 -10.206 -0.609 565 HG3 LYS 69 1HG LYS 69 3.752 -9.378 -1.715 566 HD2 LYS 69 2HD LYS 69 6.202 -7.944 -1.932 567 HD3 LYS 69 1HD LYS 69 6.684 -9.635 -1.836 568 HE2 LYS 69 2HE LYS 69 4.848 -8.345 -3.874 569 HE3 LYS 69 1HE LYS 69 6.417 -9.095 -4.163 570 HZ1 LYS 69 1HZ LYS 69 4.704 -10.572 -4.873 571 HZ2 LYS 69 2HZ LYS 69 3.896 -10.461 -3.398 572 HZ3 LYS 69 3HZ LYS 69 5.400 -11.232 -3.479 573 H GLN 70 H GLN 70 1.670 -7.014 0.312 574 HA GLN 70 HA GLN 70 0.212 -8.250 -1.726 575 HB2 GLN 70 2HB GLN 70 -0.576 -8.212 0.602 576 HB3 GLN 70 1HB GLN 70 -0.777 -6.463 0.548 577 HG2 GLN 70 2HG GLN 70 -2.591 -6.679 -1.079 578 HG3 GLN 70 1HG GLN 70 -2.333 -8.420 -1.180 579 HE21 GLN 70 1HE2 GLN 70 -4.446 -8.892 -0.561 580 HE22 GLN 70 2HE2 GLN 70 -5.030 -8.644 1.040 581 H THR 71 H THR 71 0.391 -4.773 -0.822 582 HA THR 71 HA THR 71 -1.287 -3.964 -3.001 583 HB THR 71 HB THR 71 -1.309 -2.631 -0.970 584 HG1 THR 71 HG1 THR 71 -0.387 -1.281 -3.303 585 HG21 THR 71 1HG2 THR 71 1.062 -2.763 -0.279 586 HG22 THR 71 2HG2 THR 71 0.466 -1.106 -0.320 587 HG23 THR 71 3HG2 THR 71 1.506 -1.704 -1.621 588 H LEU 72 H LEU 72 2.126 -4.607 -2.733 589 HA LEU 72 HA LEU 72 2.866 -3.138 -5.123 590 HB2 LEU 72 2HB LEU 72 4.433 -5.290 -3.632 591 HB3 LEU 72 1HB LEU 72 5.045 -4.368 -4.996 592 HG LEU 72 HG LEU 72 4.529 -3.438 -2.175 593 HD11 LEU 72 1HD1 LEU 72 6.755 -4.289 -2.660 594 HD12 LEU 72 2HD1 LEU 72 6.804 -2.565 -2.296 595 HD13 LEU 72 3HD1 LEU 72 6.940 -3.117 -3.969 596 HD21 LEU 72 1HD2 LEU 72 4.772 -1.594 -4.554 597 HD22 LEU 72 2HD2 LEU 72 4.849 -1.104 -2.860 598 HD23 LEU 72 3HD2 LEU 72 3.365 -1.797 -3.504 599 H ASP 73 H ASP 73 1.824 -6.419 -4.387 600 HA ASP 73 HA ASP 73 2.217 -7.533 -6.977 601 HB2 ASP 73 2HB ASP 73 0.159 -8.229 -4.816 602 HB3 ASP 73 1HB ASP 73 0.302 -9.122 -6.327 603 H ASN 74 H ASN 74 -0.569 -6.042 -5.386 604 HA ASN 74 HA ASN 74 -2.346 -5.922 -7.563 605 HB2 ASN 74 2HB ASN 74 -2.248 -3.986 -5.200 606 HB3 ASN 74 1HB ASN 74 -3.652 -4.371 -6.196 607 HD21 ASN 74 1HD2 ASN 74 -3.261 -4.580 -3.307 608 HD22 ASN 74 2HD2 ASN 74 -3.594 -6.223 -2.896 609 H GLU 75 H GLU 75 0.188 -3.743 -6.485 610 HA GLU 75 HA GLU 75 -0.309 -1.471 -8.072 611 HB2 GLU 75 2HB GLU 75 1.282 -1.526 -6.155 612 HB3 GLU 75 1HB GLU 75 2.334 -2.619 -7.040 613 HG2 GLU 75 2HG GLU 75 3.286 -0.419 -7.060 614 HG3 GLU 75 1HG GLU 75 2.760 -0.822 -8.693 615 H GLN 76 H GLN 76 2.020 -4.147 -8.602 616 HA GLN 76 HA GLN 76 2.807 -3.315 -11.188 617 HB2 GLN 76 2HB GLN 76 4.230 -4.744 -9.799 618 HB3 GLN 76 1HB GLN 76 3.036 -6.039 -9.843 619 HG2 GLN 76 2HG GLN 76 3.405 -6.393 -12.201 620 HG3 GLN 76 1HG GLN 76 4.435 -4.969 -12.309 621 HE21 GLN 76 1HE2 GLN 76 4.612 -7.330 -9.671 622 HE22 GLN 76 2HE2 GLN 76 6.156 -7.952 -10.124 623 H LEU 77 H LEU 77 0.270 -5.525 -10.109 624 HA LEU 77 HA LEU 77 -0.312 -6.683 -12.648 625 HB2 LEU 77 2HB LEU 77 -1.960 -6.502 -10.100 626 HB3 LEU 77 1HB LEU 77 -2.483 -7.392 -11.522 627 HG LEU 77 HG LEU 77 0.007 -8.005 -9.878 628 HD11 LEU 77 1HD1 LEU 77 -1.159 -10.024 -9.140 629 HD12 LEU 77 2HD1 LEU 77 -2.604 -9.540 -10.030 630 HD13 LEU 77 3HD1 LEU 77 -2.042 -8.573 -8.665 631 HD21 LEU 77 1HD2 LEU 77 -1.133 -9.496 -12.259 632 HD22 LEU 77 2HD2 LEU 77 0.218 -10.027 -11.255 633 HD23 LEU 77 3HD2 LEU 77 0.367 -8.564 -12.222 634 H LEU 78 H LEU 78 -1.994 -4.127 -10.745 635 HA LEU 78 HA LEU 78 -3.961 -3.525 -12.679 636 HB2 LEU 78 2HB LEU 78 -2.858 -1.913 -10.351 637 HB3 LEU 78 1HB LEU 78 -4.124 -1.271 -11.391 638 HG LEU 78 HG LEU 78 -4.334 -3.794 -9.706 639 HD11 LEU 78 1HD1 LEU 78 -5.702 -1.106 -9.381 640 HD12 LEU 78 2HD1 LEU 78 -4.400 -1.736 -8.365 641 HD13 LEU 78 3HD1 LEU 78 -5.966 -2.545 -8.391 642 HD21 LEU 78 1HD2 LEU 78 -5.580 -4.051 -11.773 643 HD22 LEU 78 2HD2 LEU 78 -6.354 -2.479 -11.552 644 HD23 LEU 78 3HD2 LEU 78 -6.700 -3.799 -10.437 645 H LYS 79 H LYS 79 -0.901 -1.876 -11.950 646 HA LYS 79 HA LYS 79 -1.294 0.166 -13.937 647 HB2 LYS 79 2HB LYS 79 1.307 -0.510 -12.498 648 HB3 LYS 79 1HB LYS 79 0.848 1.028 -13.221 649 HG2 LYS 79 2HG LYS 79 -0.286 -0.241 -10.727 650 HG3 LYS 79 1HG LYS 79 0.690 1.221 -10.831 651 HD2 LYS 79 2HD LYS 79 -1.134 2.459 -11.817 652 HD3 LYS 79 1HD LYS 79 -2.091 0.989 -12.052 653 HE2 LYS 79 2HE LYS 79 -2.899 2.280 -10.114 654 HE3 LYS 79 1HE LYS 79 -2.288 0.706 -9.609 655 HZ1 LYS 79 1HZ LYS 79 -0.918 3.324 -9.340 656 HZ2 LYS 79 2HZ LYS 79 -0.173 1.847 -9.027 657 HZ3 LYS 79 3HZ LYS 79 -1.487 2.339 -8.090 658 H GLY 80 H GLY 80 0.372 -2.929 -13.820 659 HA2 GLY 80 2HA GLY 80 1.643 -2.729 -16.401 660 HA3 GLY 80 1HA GLY 80 1.368 -4.195 -15.469 661 H LEU 81 H LEU 81 -1.559 -3.558 -15.274 662 HA LEU 81 HA LEU 81 -2.438 -4.833 -17.722 663 HB2 LEU 81 2HB LEU 81 -3.292 -5.216 -15.295 664 HB3 LEU 81 1HB LEU 81 -4.239 -3.760 -15.498 665 HG LEU 81 HG LEU 81 -4.534 -6.212 -17.302 666 HD11 LEU 81 1HD1 LEU 81 -5.032 -6.895 -15.011 667 HD12 LEU 81 2HD1 LEU 81 -6.510 -6.837 -15.967 668 HD13 LEU 81 3HD1 LEU 81 -6.155 -5.545 -14.816 669 HD21 LEU 81 1HD2 LEU 81 -6.402 -3.861 -16.859 670 HD22 LEU 81 2HD2 LEU 81 -6.728 -5.264 -17.882 671 HD23 LEU 81 3HD2 LEU 81 -5.422 -4.157 -18.296 672 H LEU 82 H LEU 82 -2.669 -1.590 -16.239 673 HA LEU 82 HA LEU 82 -4.683 -0.597 -18.025 674 HB2 LEU 82 2HB LEU 82 -2.793 0.862 -16.126 675 HB3 LEU 82 1HB LEU 82 -4.064 1.667 -17.033 676 HG LEU 82 HG LEU 82 -4.524 -0.470 -14.912 677 HD11 LEU 82 1HD1 LEU 82 -4.927 2.534 -14.726 678 HD12 LEU 82 2HD1 LEU 82 -3.667 1.593 -13.920 679 HD13 LEU 82 3HD1 LEU 82 -5.355 1.343 -13.491 680 HD21 LEU 82 1HD2 LEU 82 -6.902 0.153 -15.065 681 HD22 LEU 82 2HD2 LEU 82 -6.301 -0.503 -16.586 682 HD23 LEU 82 3HD2 LEU 82 -6.538 1.238 -16.413 683 H GLN 83 H GLN 83 -1.281 0.452 -17.579 684 HA GLN 83 HA GLN 83 -1.002 0.740 -20.519 685 HB2 GLN 83 2HB GLN 83 0.183 2.708 -18.515 686 HB3 GLN 83 1HB GLN 83 0.208 2.828 -20.268 687 HG2 GLN 83 2HG GLN 83 -2.232 3.089 -18.482 688 HG3 GLN 83 1HG GLN 83 -1.405 4.404 -19.315 689 HE21 GLN 83 1HE2 GLN 83 -4.212 3.451 -19.479 690 HE22 GLN 83 2HE2 GLN 83 -4.493 3.131 -21.155 691 H GLN 84 H GLN 84 1.087 1.201 -17.656 692 HA GLN 84 HA GLN 84 2.617 -1.090 -17.691 693 HB2 GLN 84 2HB GLN 84 3.333 -0.494 -20.006 694 HB3 GLN 84 1HB GLN 84 3.930 1.065 -19.451 695 HG2 GLN 84 2HG GLN 84 5.756 -0.565 -19.808 696 HG3 GLN 84 1HG GLN 84 5.671 -0.042 -18.125 697 HE21 GLN 84 1HE2 GLN 84 4.974 -1.533 -16.546 698 HE22 GLN 84 2HE2 GLN 84 4.917 -3.231 -16.854 699 H ARG 85 H ARG 85 2.956 -0.868 -15.580 700 HA ARG 85 HA ARG 85 3.223 0.017 -13.525 701 HB2 ARG 85 2HB ARG 85 5.624 0.434 -12.962 702 HB3 ARG 85 1HB ARG 85 5.298 -1.061 -13.822 703 HG2 ARG 85 2HG ARG 85 6.183 -0.135 -15.889 704 HG3 ARG 85 1HG ARG 85 6.390 1.446 -15.126 705 HD2 ARG 85 2HD ARG 85 8.531 0.293 -15.247 706 HD3 ARG 85 1HD ARG 85 8.046 0.467 -13.560 707 HE ARG 85 HE ARG 85 7.174 -1.958 -13.950 708 HH11 ARG 85 1HH1 ARG 85 10.206 -0.652 -15.196 709 HH12 ARG 85 2HH1 ARG 85 10.995 -2.197 -15.199 710 HH21 ARG 85 1HH2 ARG 85 8.213 -3.953 -13.955 711 HH22 ARG 85 2HH2 ARG 85 9.861 -4.075 -14.494 712 H LEU 86 H LEU 86 5.235 2.566 -15.161 713 HA LEU 86 HA LEU 86 4.204 4.651 -13.459 714 HB2 LEU 86 2HB LEU 86 5.761 4.868 -16.081 715 HB3 LEU 86 1HB LEU 86 5.568 6.145 -14.891 716 HG LEU 86 HG LEU 86 7.133 3.563 -14.459 717 HD11 LEU 86 1HD1 LEU 86 8.272 5.012 -16.070 718 HD12 LEU 86 2HD1 LEU 86 9.155 4.961 -14.546 719 HD13 LEU 86 3HD1 LEU 86 8.174 6.374 -14.949 720 HD21 LEU 86 1HD2 LEU 86 7.937 4.586 -12.395 721 HD22 LEU 86 2HD2 LEU 86 6.183 4.421 -12.378 722 HD23 LEU 86 3HD2 LEU 86 6.916 5.997 -12.676 723 H ASP 87 H ASP 87 1.973 5.093 -13.757 724 HA ASP 87 HA ASP 87 1.006 6.226 -16.196 725 HB2 ASP 87 2HB ASP 87 -0.498 4.449 -16.957 726 HB3 ASP 87 1HB ASP 87 1.142 3.816 -16.889 727 H GLU 88 H GLU 88 -1.743 5.259 -15.844 728 HA GLU 88 HA GLU 88 -3.003 7.149 -14.343 729 HB2 GLU 88 2HB GLU 88 -3.937 4.329 -14.984 730 HB3 GLU 88 1HB GLU 88 -5.000 5.639 -14.474 731 HG2 GLU 88 2HG GLU 88 -4.482 6.886 -16.524 732 HG3 GLU 88 1HG GLU 88 -3.341 5.628 -17.012 733 H LEU 89 H LEU 89 -4.421 6.938 -12.492 734 HA LEU 89 HA LEU 89 -4.821 6.781 -10.288 735 HB2 LEU 89 2HB LEU 89 -3.575 4.013 -10.487 736 HB3 LEU 89 1HB LEU 89 -4.572 4.592 -9.163 737 HG LEU 89 HG LEU 89 -5.549 4.178 -12.023 738 HD11 LEU 89 1HD1 LEU 89 -5.018 2.043 -10.952 739 HD12 LEU 89 2HD1 LEU 89 -6.754 2.226 -11.182 740 HD13 LEU 89 3HD1 LEU 89 -6.048 2.452 -9.576 741 HD21 LEU 89 1HD2 LEU 89 -7.810 4.537 -11.125 742 HD22 LEU 89 2HD2 LEU 89 -6.797 5.960 -10.885 743 HD23 LEU 89 3HD2 LEU 89 -7.134 4.883 -9.527 744 H SER 90 H SER 90 -2.249 7.786 -11.340 745 HA SER 90 HA SER 90 -0.453 7.448 -9.029 746 HB2 SER 90 2HB SER 90 0.645 7.323 -11.227 747 HB3 SER 90 1HB SER 90 0.003 8.902 -11.674 748 HG SER 90 HG SER 90 1.771 9.640 -10.838 749 H SER 91 H SER 91 -0.867 10.482 -10.853 750 HA SER 91 HA SER 91 -0.909 12.601 -10.098 751 HB2 SER 91 2HB SER 91 -3.165 13.198 -9.059 752 HB3 SER 91 1HB SER 91 -3.236 12.298 -10.573 753 HG SER 91 HG SER 91 -3.600 10.402 -9.291 754 H LEU 92 H LEU 92 0.571 10.819 -8.263 755 HA LEU 92 HA LEU 92 0.212 11.988 -5.605 756 HB2 LEU 92 2HB LEU 92 2.288 9.977 -6.600 757 HB3 LEU 92 1HB LEU 92 2.040 10.449 -4.925 758 HG LEU 92 HG LEU 92 0.101 8.860 -6.657 759 HD11 LEU 92 1HD1 LEU 92 0.538 7.019 -5.081 760 HD12 LEU 92 2HD1 LEU 92 1.731 8.013 -4.240 761 HD13 LEU 92 3HD1 LEU 92 2.005 7.529 -5.915 762 HD21 LEU 92 1HD2 LEU 92 -1.298 8.653 -4.643 763 HD22 LEU 92 2HD2 LEU 92 -1.169 10.323 -5.185 764 HD23 LEU 92 3HD2 LEU 92 -0.238 9.778 -3.786 765 H ILE 93 H ILE 93 3.094 11.380 -7.575 766 HA ILE 93 HA ILE 93 3.976 14.193 -7.341 767 HB ILE 93 HB ILE 93 5.832 11.749 -7.165 768 HG12 ILE 93 2HG1 ILE 93 4.936 13.625 -4.919 769 HG13 ILE 93 1HG1 ILE 93 4.476 11.938 -5.093 770 HG21 ILE 93 1HG2 ILE 93 7.593 13.393 -6.604 771 HG22 ILE 93 2HG2 ILE 93 6.434 14.714 -6.773 772 HG23 ILE 93 3HG2 ILE 93 6.885 13.748 -8.181 773 HD11 ILE 93 1HD1 ILE 93 7.272 12.943 -4.564 774 HD12 ILE 93 2HD1 ILE 93 6.777 11.253 -4.696 775 HD13 ILE 93 3HD1 ILE 93 6.164 12.250 -3.381 776 H GLY 94 H GLY 94 4.862 15.016 -9.233 777 HA2 GLY 94 2HA GLY 94 3.786 14.033 -11.635 778 HA3 GLY 94 1HA GLY 94 4.915 15.369 -11.489 779 H GLN 95 H GLN 95 7.017 13.713 -10.279 780 HA GLN 95 HA GLN 95 8.299 12.763 -12.665 781 HB2 GLN 95 2HB GLN 95 10.225 12.252 -11.236 782 HB3 GLN 95 1HB GLN 95 9.583 13.850 -10.872 783 HG2 GLN 95 2HG GLN 95 8.432 12.923 -8.886 784 HG3 GLN 95 1HG GLN 95 9.120 11.341 -9.235 785 HE21 GLN 95 1HE2 GLN 95 9.447 12.997 -6.840 786 HE22 GLN 95 2HE2 GLN 95 11.143 13.270 -6.668 787 H SER 96 H SER 96 6.003 11.303 -10.811 788 HA SER 96 HA SER 96 4.987 9.311 -10.901 789 HB2 SER 96 2HB SER 96 6.964 8.676 -13.135 790 HB3 SER 96 1HB SER 96 5.457 7.813 -12.809 791 HG SER 96 HG SER 96 5.699 10.557 -13.520 792 H THR 97 H THR 97 7.179 9.720 -9.062 793 HA THR 97 HA THR 97 8.842 7.388 -8.904 794 HB THR 97 HB THR 97 9.557 9.620 -8.068 795 HG1 THR 97 HG1 THR 97 9.527 7.751 -5.912 796 HG21 THR 97 1HG2 THR 97 7.601 9.171 -5.786 797 HG22 THR 97 2HG2 THR 97 7.439 10.389 -7.056 798 HG23 THR 97 3HG2 THR 97 8.777 10.483 -5.909 799 H ARG 98 H ARG 98 5.694 7.232 -8.573 800 HA ARG 98 HA ARG 98 4.937 6.308 -6.084 801 HB2 ARG 98 2HB ARG 98 3.398 6.798 -7.956 802 HB3 ARG 98 1HB ARG 98 3.997 5.399 -8.840 803 HG2 ARG 98 2HG ARG 98 3.090 3.911 -7.058 804 HG3 ARG 98 1HG ARG 98 2.443 5.331 -6.226 805 HD2 ARG 98 2HD ARG 98 0.694 4.239 -7.556 806 HD3 ARG 98 1HD ARG 98 1.043 5.846 -8.208 807 HE ARG 98 HE ARG 98 2.539 3.700 -9.444 808 HH11 ARG 98 1HH1 ARG 98 -0.493 5.463 -9.598 809 HH12 ARG 98 2HH1 ARG 98 -0.756 5.068 -11.270 810 HH21 ARG 98 1HH2 ARG 98 2.137 3.178 -11.604 811 HH22 ARG 98 2HH2 ARG 98 0.712 3.781 -12.404 812 H GLN 99 H GLN 99 6.167 4.368 -8.850 813 HA GLN 99 HA GLN 99 5.985 1.817 -7.625 814 HB2 GLN 99 2HB GLN 99 8.074 2.503 -9.735 815 HB3 GLN 99 1HB GLN 99 7.227 0.983 -9.489 816 HG2 GLN 99 2HG GLN 99 6.072 3.537 -10.612 817 HG3 GLN 99 1HG GLN 99 6.461 2.073 -11.509 818 HE21 GLN 99 1HE2 GLN 99 5.317 0.212 -9.608 819 HE22 GLN 99 2HE2 GLN 99 3.607 0.424 -9.697 820 H LYS 100 H LYS 100 8.613 4.116 -8.018 821 HA LYS 100 HA LYS 100 10.752 2.714 -6.864 822 HB2 LYS 100 2HB LYS 100 11.012 4.642 -8.353 823 HB3 LYS 100 1HB LYS 100 10.233 5.701 -7.183 824 HG2 LYS 100 2HG LYS 100 12.128 5.356 -5.617 825 HG3 LYS 100 1HG LYS 100 12.910 4.302 -6.798 826 HD2 LYS 100 2HD LYS 100 12.299 7.268 -7.153 827 HD3 LYS 100 1HD LYS 100 13.892 6.555 -6.884 828 HE2 LYS 100 2HE LYS 100 13.705 5.353 -9.042 829 HE3 LYS 100 1HE LYS 100 12.126 6.091 -9.314 830 HZ1 LYS 100 1HZ LYS 100 13.191 8.260 -9.334 831 HZ2 LYS 100 2HZ LYS 100 13.877 7.248 -10.502 832 HZ3 LYS 100 3HZ LYS 100 14.696 7.552 -9.054 833 H SER 101 H SER 101 8.323 4.866 -5.459 834 HA SER 101 HA SER 101 9.685 5.361 -2.990 835 HB2 SER 101 2HB SER 101 8.079 7.003 -3.930 836 HB3 SER 101 1HB SER 101 6.764 5.843 -3.746 837 HG SER 101 HG SER 101 6.574 6.505 -1.773 838 H LEU 102 H LEU 102 6.973 3.318 -3.995 839 HA LEU 102 HA LEU 102 6.436 2.213 -1.400 840 HB2 LEU 102 2HB LEU 102 5.552 1.582 -4.222 841 HB3 LEU 102 1HB LEU 102 5.166 0.477 -2.919 842 HG LEU 102 HG LEU 102 3.834 2.184 -1.777 843 HD11 LEU 102 1HD1 LEU 102 5.097 4.195 -2.390 844 HD12 LEU 102 2HD1 LEU 102 3.379 4.380 -2.716 845 HD13 LEU 102 3HD1 LEU 102 4.497 4.075 -4.046 846 HD21 LEU 102 1HD2 LEU 102 1.988 2.372 -3.385 847 HD22 LEU 102 2HD2 LEU 102 2.718 0.771 -3.448 848 HD23 LEU 102 3HD2 LEU 102 3.075 1.953 -4.711 849 H ASN 103 H ASN 103 8.329 1.171 -4.206 850 HA ASN 103 HA ASN 103 9.124 -1.384 -3.224 851 HB2 ASN 103 2HB ASN 103 9.233 -0.733 -5.631 852 HB3 ASN 103 1HB ASN 103 10.507 0.420 -5.266 853 HD21 ASN 103 1HD2 ASN 103 12.604 -0.346 -4.920 854 HD22 ASN 103 2HD2 ASN 103 13.069 -1.976 -5.258 855 H ASN 104 H ASN 104 10.377 1.885 -2.825 856 HA ASN 104 HA ASN 104 12.860 1.182 -1.531 857 HB2 ASN 104 2HB ASN 104 12.574 3.369 -2.683 858 HB3 ASN 104 1HB ASN 104 11.319 3.829 -1.537 859 HD21 ASN 104 1HD2 ASN 104 12.369 5.600 -0.681 860 HD22 ASN 104 2HD2 ASN 104 13.831 5.509 0.231 861 H ALA 105 H ALA 105 9.576 1.991 -0.486 862 HA ALA 105 HA ALA 105 9.990 2.212 2.293 863 HB1 ALA 105 1HB ALA 105 7.573 1.778 2.516 864 HB2 ALA 105 2HB ALA 105 7.506 1.243 0.833 865 HB3 ALA 105 3HB ALA 105 7.898 2.921 1.210 866 H TYR 106 H TYR 106 8.982 -0.594 0.294 867 HA TYR 106 HA TYR 106 9.095 -2.536 2.347 868 HB2 TYR 106 2HB TYR 106 8.038 -2.795 -0.014 869 HB3 TYR 106 1HB TYR 106 9.657 -3.153 -0.598 870 HD1 TYR 106 HD1 TYR 106 10.869 -5.052 1.164 871 HD2 TYR 106 HD2 TYR 106 6.713 -4.739 0.262 872 HE1 TYR 106 HE1 TYR 106 10.573 -7.393 1.794 873 HE2 TYR 106 HE2 TYR 106 6.431 -7.079 0.908 874 HH TYR 106 HH TYR 106 8.820 -8.884 2.543 875 H GLY 107 H GLY 107 11.490 -1.477 -0.078 876 HA2 GLY 107 2HA GLY 107 13.482 -3.383 0.304 877 HA3 GLY 107 1HA GLY 107 13.745 -1.761 -0.314 878 H ARG 108 H ARG 108 12.993 -0.319 1.981 879 HA ARG 108 HA ARG 108 15.376 -0.498 3.587 880 HB2 ARG 108 2HB ARG 108 12.932 1.303 3.696 881 HB3 ARG 108 1HB ARG 108 14.246 1.428 4.864 882 HG2 ARG 108 2HG ARG 108 15.833 1.978 3.079 883 HG3 ARG 108 1HG ARG 108 14.569 1.766 1.860 884 HD2 ARG 108 2HD ARG 108 14.559 3.855 4.070 885 HD3 ARG 108 1HD ARG 108 14.955 4.151 2.374 886 HE ARG 108 HE ARG 108 12.537 3.157 2.076 887 HH11 ARG 108 1HH1 ARG 108 13.606 5.508 4.473 888 HH12 ARG 108 2HH1 ARG 108 12.052 6.267 4.593 889 HH21 ARG 108 1HH2 ARG 108 10.507 4.151 2.258 890 HH22 ARG 108 2HH2 ARG 108 10.293 5.494 3.334 891 H LEU 109 H LEU 109 11.885 -1.122 4.108 892 HA LEU 109 HA LEU 109 12.019 -1.883 6.832 893 HB2 LEU 109 2HB LEU 109 9.912 -1.349 5.578 894 HB3 LEU 109 1HB LEU 109 10.054 -2.885 4.742 895 HG LEU 109 HG LEU 109 9.774 -4.095 6.906 896 HD11 LEU 109 1HD1 LEU 109 10.712 -2.443 8.446 897 HD12 LEU 109 2HD1 LEU 109 9.090 -2.915 8.943 898 HD13 LEU 109 3HD1 LEU 109 9.351 -1.357 8.148 899 HD21 LEU 109 1HD2 LEU 109 7.563 -2.090 6.373 900 HD22 LEU 109 2HD2 LEU 109 7.400 -3.627 7.230 901 HD23 LEU 109 3HD2 LEU 109 7.811 -3.614 5.517 902 H SER 110 H SER 110 12.797 -3.548 3.936 903 HA SER 110 HA SER 110 12.996 -6.208 5.060 904 HB2 SER 110 2HB SER 110 12.302 -5.857 2.694 905 HB3 SER 110 1HB SER 110 13.840 -5.069 2.345 906 HG SER 110 HG SER 110 14.465 -7.007 1.871 907 H GLY 111 H GLY 111 15.094 -3.460 4.177 908 HA2 GLY 111 2HA GLY 111 17.554 -4.959 4.380 909 HA3 GLY 111 1HA GLY 111 17.386 -3.234 4.132 910 H MET 112 H MET 112 16.595 -1.963 6.232 911 HA MET 112 HA MET 112 18.035 -3.099 8.569 912 HB2 MET 112 2HB MET 112 16.914 -0.329 8.816 913 HB3 MET 112 1HB MET 112 18.439 -0.982 9.378 914 HG2 MET 112 2HG MET 112 18.943 0.687 7.777 915 HG3 MET 112 1HG MET 112 19.258 -0.858 6.986 916 HE1 MET 112 1HE MET 112 15.606 0.513 7.642 917 HE2 MET 112 2HE MET 112 15.404 1.578 6.242 918 HE3 MET 112 3HE MET 112 16.588 1.979 7.482 919 H LEU 113 H LEU 113 15.072 -1.158 8.015 920 HA LEU 113 HA LEU 113 13.108 -2.688 9.191 921 HB2 LEU 113 2HB LEU 113 14.738 -2.534 11.193 922 HB3 LEU 113 1HB LEU 113 14.366 -0.834 11.285 923 HG LEU 113 HG LEU 113 13.150 -2.796 12.799 924 HD11 LEU 113 1HD1 LEU 113 13.060 -0.437 13.321 925 HD12 LEU 113 2HD1 LEU 113 11.445 -1.137 13.416 926 HD13 LEU 113 3HD1 LEU 113 11.905 -0.148 12.020 927 HD21 LEU 113 1HD2 LEU 113 12.024 -3.809 10.885 928 HD22 LEU 113 2HD2 LEU 113 11.234 -2.279 10.506 929 HD23 LEU 113 3HD2 LEU 113 10.845 -3.125 12.008 930 H LEU 114 H LEU 114 13.674 -0.549 7.239 931 HA LEU 114 HA LEU 114 12.654 1.104 6.127 932 HB2 LEU 114 2HB LEU 114 10.556 0.090 7.468 933 HB3 LEU 114 1HB LEU 114 10.556 1.679 8.196 934 HG LEU 114 HG LEU 114 10.420 1.247 5.181 935 HD11 LEU 114 1HD1 LEU 114 7.984 1.569 5.326 936 HD12 LEU 114 2HD1 LEU 114 8.082 1.557 7.090 937 HD13 LEU 114 3HD1 LEU 114 8.506 0.111 6.171 938 HD21 LEU 114 1HD2 LEU 114 11.114 3.506 5.813 939 HD22 LEU 114 2HD2 LEU 114 9.714 3.673 6.875 940 HD23 LEU 114 3HD2 LEU 114 9.488 3.538 5.129 941 H VAL 115 H VAL 115 13.792 1.487 9.294 942 HA VAL 115 HA VAL 115 14.130 4.403 9.002 943 HB VAL 115 HB VAL 115 13.891 4.634 11.461 944 HG11 VAL 115 1HG1 VAL 115 11.480 3.328 10.147 945 HG12 VAL 115 2HG1 VAL 115 11.928 5.034 10.067 946 HG13 VAL 115 3HG1 VAL 115 11.440 4.326 11.605 947 HG21 VAL 115 1HG2 VAL 115 13.100 1.689 11.485 948 HG22 VAL 115 2HG2 VAL 115 12.993 2.798 12.856 949 HG23 VAL 115 3HG2 VAL 115 14.567 2.382 12.182 950 HA PRO 116 HA PRO 116 18.486 3.391 9.724 951 HB2 PRO 116 2HB PRO 116 18.780 6.196 10.735 952 HB3 PRO 116 1HB PRO 116 19.547 5.421 9.333 953 HG2 PRO 116 2HG PRO 116 17.647 7.281 9.016 954 HG3 PRO 116 1HG PRO 116 17.758 5.889 7.912 955 HD2 PRO 116 2HD PRO 116 15.896 6.295 10.263 956 HD3 PRO 116 1HD PRO 116 15.531 5.692 8.626 957 H ASP 117 H ASP 117 20.069 3.443 11.519 958 HA ASP 117 HA ASP 117 20.798 3.033 13.622 959 HB2 ASP 117 2HB ASP 117 18.449 4.738 14.569 960 HB3 ASP 117 1HB ASP 117 19.858 4.302 15.529 961 H ALA 118 H ALA 118 18.870 1.293 12.307 962 HA ALA 118 HA ALA 118 17.743 -0.168 14.632 963 HB1 ALA 118 1HB ALA 118 16.510 0.123 11.861 964 HB2 ALA 118 2HB ALA 118 15.936 0.895 13.340 965 HB3 ALA 118 3HB ALA 118 15.863 -0.859 13.181 966 HA PRO 119 HA PRO 119 20.503 -3.366 13.239 967 HB2 PRO 119 2HB PRO 119 19.304 -5.612 14.344 968 HB3 PRO 119 1HB PRO 119 20.224 -4.423 15.286 969 HG2 PRO 119 2HG PRO 119 17.257 -4.675 14.960 970 HG3 PRO 119 1HG PRO 119 18.203 -4.331 16.427 971 HD2 PRO 119 2HD PRO 119 16.933 -2.372 15.043 972 HD3 PRO 119 1HD PRO 119 18.467 -2.079 15.890 973 H GLY 120 H GLY 120 20.759 -4.515 11.410 974 HA2 GLY 120 2HA GLY 120 18.911 -4.260 9.335 975 HA3 GLY 120 1HA GLY 120 20.382 -5.210 9.275 976 H ALA 121 H ALA 121 17.200 -5.409 8.771 977 HA ALA 121 HA ALA 121 16.526 -7.958 9.923 978 HB1 ALA 121 1HB ALA 121 14.789 -6.279 9.470 979 HB2 ALA 121 2HB ALA 121 14.463 -7.759 8.570 980 HB3 ALA 121 3HB ALA 121 15.136 -6.352 7.740 981 H SER 122 H SER 122 15.567 -9.648 8.289 982 HA SER 122 HA SER 122 17.456 -10.143 6.058 983 HB2 SER 122 2HB SER 122 16.578 -12.220 8.120 984 HB3 SER 122 1HB SER 122 17.670 -12.494 6.758 985 HG SER 122 HG SER 122 18.788 -10.539 7.926 Start of MODEL 19 1 H1 MET 1 1H MET 1 2.332 4.108 21.187 2 H2 MET 1 2H MET 1 2.877 2.748 22.022 3 H3 MET 1 3H MET 1 1.223 3.039 21.877 4 HA MET 1 HA MET 1 3.082 2.440 19.673 5 HB2 MET 1 2HB MET 1 2.622 0.494 21.187 6 HB3 MET 1 1HB MET 1 0.900 0.693 20.911 7 HG2 MET 1 2HG MET 1 1.270 0.182 18.500 8 HG3 MET 1 1HG MET 1 2.975 -0.100 18.850 9 HE1 MET 1 1HE MET 1 2.586 -2.458 17.578 10 HE2 MET 1 2HE MET 1 0.857 -2.152 17.411 11 HE3 MET 1 3HE MET 1 1.423 -3.665 18.118 12 H THR 2 H THR 2 0.434 4.308 20.464 13 HA THR 2 HA THR 2 -1.569 3.779 18.604 14 HB THR 2 HB THR 2 -1.951 6.398 18.754 15 HG1 THR 2 HG1 THR 2 -0.823 7.047 20.847 16 HG21 THR 2 1HG2 THR 2 -2.914 6.215 21.022 17 HG22 THR 2 2HG2 THR 2 -2.046 4.700 21.279 18 HG23 THR 2 3HG2 THR 2 -3.309 4.794 20.051 19 H SER 3 H SER 3 1.468 5.538 18.122 20 HA SER 3 HA SER 3 1.028 6.604 15.543 21 HB2 SER 3 2HB SER 3 3.553 6.676 15.430 22 HB3 SER 3 1HB SER 3 2.913 7.334 16.937 23 HG SER 3 HG SER 3 4.738 5.604 16.859 24 H THR 4 H THR 4 2.506 3.546 16.607 25 HA THR 4 HA THR 4 3.075 2.463 14.063 26 HB THR 4 HB THR 4 2.622 0.913 16.660 27 HG1 THR 4 HG1 THR 4 5.100 1.163 16.539 28 HG21 THR 4 1HG2 THR 4 2.804 -0.544 14.665 29 HG22 THR 4 2HG2 THR 4 4.223 -0.705 15.700 30 HG23 THR 4 3HG2 THR 4 4.317 0.251 14.219 31 H VAL 5 H VAL 5 0.218 2.247 16.168 32 HA VAL 5 HA VAL 5 -1.126 0.149 14.793 33 HB VAL 5 HB VAL 5 -2.248 2.323 16.629 34 HG11 VAL 5 1HG1 VAL 5 -3.657 -0.189 15.624 35 HG12 VAL 5 2HG1 VAL 5 -4.066 1.474 15.196 36 HG13 VAL 5 3HG1 VAL 5 -4.280 0.915 16.854 37 HG21 VAL 5 1HG2 VAL 5 -1.567 -0.589 17.202 38 HG22 VAL 5 2HG2 VAL 5 -2.265 0.553 18.352 39 HG23 VAL 5 3HG2 VAL 5 -0.636 0.813 17.729 40 H GLU 6 H GLU 6 -1.401 3.729 14.606 41 HA GLU 6 HA GLU 6 -3.264 3.850 12.498 42 HB2 GLU 6 2HB GLU 6 -1.054 5.812 13.245 43 HB3 GLU 6 1HB GLU 6 -2.300 6.153 12.051 44 HG2 GLU 6 2HG GLU 6 -2.841 5.541 14.968 45 HG3 GLU 6 1HG GLU 6 -2.737 7.159 14.283 46 H PHE 7 H PHE 7 0.273 3.565 12.492 47 HA PHE 7 HA PHE 7 0.751 4.007 9.742 48 HB2 PHE 7 2HB PHE 7 2.445 4.066 11.629 49 HB3 PHE 7 1HB PHE 7 2.425 2.309 11.647 50 HD1 PHE 7 HD1 PHE 7 3.067 5.223 9.375 51 HD2 PHE 7 HD2 PHE 7 3.994 1.139 10.281 52 HE1 PHE 7 HE1 PHE 7 4.876 5.264 7.714 53 HE2 PHE 7 HE2 PHE 7 5.803 1.192 8.610 54 HZ PHE 7 HZ PHE 7 6.242 3.256 7.333 55 H ILE 8 H ILE 8 0.374 0.943 11.571 56 HA ILE 8 HA ILE 8 0.597 -0.859 9.389 57 HB ILE 8 HB ILE 8 -0.878 -1.265 12.041 58 HG12 ILE 8 2HG1 ILE 8 1.962 -2.154 11.341 59 HG13 ILE 8 1HG1 ILE 8 1.594 -0.696 12.255 60 HG21 ILE 8 1HG2 ILE 8 0.092 -3.359 10.050 61 HG22 ILE 8 2HG2 ILE 8 -1.591 -2.931 10.366 62 HG23 ILE 8 3HG2 ILE 8 -0.627 -3.701 11.626 63 HD11 ILE 8 1HD1 ILE 8 0.958 -3.520 13.090 64 HD12 ILE 8 2HD1 ILE 8 0.541 -2.064 13.998 65 HD13 ILE 8 3HD1 ILE 8 2.232 -2.484 13.733 66 H ASN 9 H ASN 9 -2.157 0.755 10.962 67 HA ASN 9 HA ASN 9 -4.256 -0.470 9.496 68 HB2 ASN 9 2HB ASN 9 -4.588 0.745 11.662 69 HB3 ASN 9 1HB ASN 9 -4.243 2.267 10.850 70 HD21 ASN 9 1HD2 ASN 9 -6.226 -0.426 9.581 71 HD22 ASN 9 2HD2 ASN 9 -7.701 0.471 9.543 72 H ARG 10 H ARG 10 -2.144 2.219 8.831 73 HA ARG 10 HA ARG 10 -3.615 3.242 6.561 74 HB2 ARG 10 2HB ARG 10 -0.894 3.852 7.757 75 HB3 ARG 10 1HB ARG 10 -1.373 4.514 6.205 76 HG2 ARG 10 2HG ARG 10 -3.311 5.624 7.262 77 HG3 ARG 10 1HG ARG 10 -2.813 4.983 8.828 78 HD2 ARG 10 2HD ARG 10 -0.697 6.258 8.680 79 HD3 ARG 10 1HD ARG 10 -1.188 6.886 7.100 80 HE ARG 10 HE ARG 10 -3.112 7.943 8.274 81 HH11 ARG 10 1HH1 ARG 10 -0.228 7.195 10.153 82 HH12 ARG 10 2HH1 ARG 10 -0.554 8.415 11.342 83 HH21 ARG 10 1HH2 ARG 10 -3.500 9.536 9.821 84 HH22 ARG 10 2HH2 ARG 10 -2.411 9.748 11.157 85 H TRP 11 H TRP 11 -0.922 0.985 7.101 86 HA TRP 11 HA TRP 11 -0.509 0.480 4.296 87 HB2 TRP 11 2HB TRP 11 0.393 -0.971 6.801 88 HB3 TRP 11 1HB TRP 11 0.643 -1.684 5.208 89 HD1 TRP 11 HD1 TRP 11 2.333 0.569 7.590 90 HE1 TRP 11 HE1 TRP 11 4.274 1.788 6.445 91 HE3 TRP 11 HE3 TRP 11 1.203 -0.420 2.692 92 HZ2 TRP 11 HZ2 TRP 11 5.221 2.293 3.860 93 HZ3 TRP 11 HZ3 TRP 11 2.675 0.492 0.938 94 HH2 TRP 11 HH2 TRP 11 4.646 1.823 1.518 95 H GLN 12 H GLN 12 -2.689 -0.811 6.753 96 HA GLN 12 HA GLN 12 -3.813 -2.913 5.200 97 HB2 GLN 12 2HB GLN 12 -5.236 -1.149 7.264 98 HB3 GLN 12 1HB GLN 12 -5.869 -2.647 6.589 99 HG2 GLN 12 2HG GLN 12 -3.948 -3.859 7.635 100 HG3 GLN 12 1HG GLN 12 -3.464 -2.351 8.401 101 HE21 GLN 12 1HE2 GLN 12 -5.748 -4.961 8.426 102 HE22 GLN 12 2HE2 GLN 12 -6.521 -4.548 9.912 103 H ARG 13 H ARG 13 -4.429 0.557 5.509 104 HA ARG 13 HA ARG 13 -6.724 0.773 3.924 105 HB2 ARG 13 2HB ARG 13 -5.849 2.539 5.483 106 HB3 ARG 13 1HB ARG 13 -4.554 2.873 4.341 107 HG2 ARG 13 2HG ARG 13 -6.304 4.554 4.146 108 HG3 ARG 13 1HG ARG 13 -6.216 3.604 2.665 109 HD2 ARG 13 2HD ARG 13 -8.202 2.315 3.364 110 HD3 ARG 13 1HD ARG 13 -8.278 3.237 4.874 111 HE ARG 13 HE ARG 13 -8.330 5.171 2.962 112 HH11 ARG 13 1HH1 ARG 13 -10.323 2.296 3.435 113 HH12 ARG 13 2HH1 ARG 13 -11.729 3.013 2.709 114 HH21 ARG 13 1HH2 ARG 13 -10.179 6.098 2.053 115 HH22 ARG 13 2HH2 ARG 13 -11.649 5.179 1.921 116 H ILE 14 H ILE 14 -3.266 1.267 2.988 117 HA ILE 14 HA ILE 14 -3.743 1.769 0.227 118 HB ILE 14 HB ILE 14 -1.201 0.575 1.452 119 HG12 ILE 14 2HG1 ILE 14 -1.862 3.523 0.978 120 HG13 ILE 14 1HG1 ILE 14 -1.788 2.734 2.550 121 HG21 ILE 14 1HG2 ILE 14 -1.563 2.114 -1.153 122 HG22 ILE 14 2HG2 ILE 14 -1.300 0.376 -1.015 123 HG23 ILE 14 3HG2 ILE 14 -0.036 1.496 -0.516 124 HD11 ILE 14 1HD1 ILE 14 0.220 4.037 2.042 125 HD12 ILE 14 2HD1 ILE 14 0.548 3.003 0.657 126 HD13 ILE 14 3HD1 ILE 14 0.578 2.332 2.291 127 H ALA 15 H ALA 15 -2.833 -1.225 1.982 128 HA ALA 15 HA ALA 15 -2.513 -2.970 -0.195 129 HB1 ALA 15 1HB ALA 15 -2.718 -4.789 1.464 130 HB2 ALA 15 2HB ALA 15 -3.367 -3.642 2.647 131 HB3 ALA 15 3HB ALA 15 -1.709 -3.477 2.075 132 H LEU 16 H LEU 16 -5.360 -2.200 1.710 133 HA LEU 16 HA LEU 16 -7.054 -4.254 0.563 134 HB2 LEU 16 2HB LEU 16 -7.730 -1.925 2.405 135 HB3 LEU 16 1HB LEU 16 -8.900 -3.125 1.886 136 HG LEU 16 HG LEU 16 -6.446 -3.686 3.602 137 HD11 LEU 16 1HD1 LEU 16 -9.378 -3.597 4.397 138 HD12 LEU 16 2HD1 LEU 16 -8.146 -2.406 4.818 139 HD13 LEU 16 3HD1 LEU 16 -8.028 -4.047 5.447 140 HD21 LEU 16 1HD2 LEU 16 -7.361 -5.939 3.904 141 HD22 LEU 16 2HD2 LEU 16 -6.990 -5.618 2.213 142 HD23 LEU 16 3HD2 LEU 16 -8.665 -5.577 2.770 143 H LEU 17 H LEU 17 -6.660 -0.725 0.203 144 HA LEU 17 HA LEU 17 -8.905 -0.294 -1.483 145 HB2 LEU 17 2HB LEU 17 -6.375 1.315 -1.033 146 HB3 LEU 17 1HB LEU 17 -7.562 1.816 -2.226 147 HG LEU 17 HG LEU 17 -8.151 1.484 0.745 148 HD11 LEU 17 1HD1 LEU 17 -8.181 3.928 0.856 149 HD12 LEU 17 2HD1 LEU 17 -7.712 4.034 -0.842 150 HD13 LEU 17 3HD1 LEU 17 -6.600 3.341 0.341 151 HD21 LEU 17 1HD2 LEU 17 -9.871 2.643 -1.480 152 HD22 LEU 17 2HD2 LEU 17 -10.273 2.640 0.239 153 HD23 LEU 17 3HD2 LEU 17 -10.144 1.117 -0.635 154 H SER 18 H SER 18 -5.462 -0.890 -2.225 155 HA SER 18 HA SER 18 -5.732 -0.845 -5.071 156 HB2 SER 18 2HB SER 18 -3.472 -1.918 -5.037 157 HB3 SER 18 1HB SER 18 -3.563 -0.504 -3.988 158 HG SER 18 HG SER 18 -3.091 -1.735 -2.376 159 H GLN 19 H GLN 19 -5.874 -3.429 -2.613 160 HA GLN 19 HA GLN 19 -6.103 -5.649 -4.333 161 HB2 GLN 19 2HB GLN 19 -5.749 -5.745 -1.822 162 HB3 GLN 19 1HB GLN 19 -7.449 -5.344 -1.614 163 HG2 GLN 19 2HG GLN 19 -7.146 -7.733 -1.340 164 HG3 GLN 19 1HG GLN 19 -8.057 -7.444 -2.822 165 HE21 GLN 19 1HE2 GLN 19 -4.961 -8.394 -1.504 166 HE22 GLN 19 2HE2 GLN 19 -4.335 -9.107 -2.950 167 H SER 20 H SER 20 -8.538 -3.429 -3.004 168 HA SER 20 HA SER 20 -10.849 -4.611 -4.124 169 HB2 SER 20 2HB SER 20 -10.336 -1.693 -3.395 170 HB3 SER 20 1HB SER 20 -11.916 -2.379 -3.783 171 HG SER 20 HG SER 20 -10.425 -3.648 -1.800 172 H LEU 21 H LEU 21 -8.698 -1.992 -5.252 173 HA LEU 21 HA LEU 21 -9.965 -1.340 -7.660 174 HB2 LEU 21 2HB LEU 21 -6.996 -1.176 -6.967 175 HB3 LEU 21 1HB LEU 21 -7.719 -0.440 -8.386 176 HG LEU 21 HG LEU 21 -8.247 0.337 -5.496 177 HD11 LEU 21 1HD1 LEU 21 -6.073 1.101 -6.310 178 HD12 LEU 21 2HD1 LEU 21 -7.166 2.462 -6.076 179 HD13 LEU 21 3HD1 LEU 21 -6.840 1.865 -7.706 180 HD21 LEU 21 1HD2 LEU 21 -9.478 1.481 -8.014 181 HD22 LEU 21 2HD2 LEU 21 -9.636 2.161 -6.391 182 HD23 LEU 21 3HD2 LEU 21 -10.310 0.574 -6.747 183 H LEU 22 H LEU 22 -7.773 -3.945 -6.829 184 HA LEU 22 HA LEU 22 -7.213 -4.812 -9.496 185 HB2 LEU 22 2HB LEU 22 -5.710 -5.272 -7.566 186 HB3 LEU 22 1HB LEU 22 -6.940 -6.309 -6.855 187 HG LEU 22 HG LEU 22 -6.729 -7.889 -8.756 188 HD11 LEU 22 1HD1 LEU 22 -6.145 -6.337 -10.547 189 HD12 LEU 22 2HD1 LEU 22 -4.973 -7.647 -10.447 190 HD13 LEU 22 3HD1 LEU 22 -4.563 -6.050 -9.817 191 HD21 LEU 22 1HD2 LEU 22 -5.302 -8.197 -6.760 192 HD22 LEU 22 2HD2 LEU 22 -4.023 -7.255 -7.534 193 HD23 LEU 22 3HD2 LEU 22 -4.533 -8.796 -8.229 194 H GLU 23 H GLU 23 -9.342 -6.112 -6.894 195 HA GLU 23 HA GLU 23 -10.596 -8.221 -8.190 196 HB2 GLU 23 2HB GLU 23 -11.858 -6.234 -6.243 197 HB3 GLU 23 1HB GLU 23 -12.536 -7.803 -6.639 198 HG2 GLU 23 2HG GLU 23 -9.902 -7.330 -5.235 199 HG3 GLU 23 1HG GLU 23 -11.417 -7.767 -4.453 200 H LEU 24 H LEU 24 -11.697 -4.904 -7.912 201 HA LEU 24 HA LEU 24 -13.964 -4.884 -9.486 202 HB2 LEU 24 2HB LEU 24 -12.001 -2.629 -8.916 203 HB3 LEU 24 1HB LEU 24 -13.621 -2.398 -9.549 204 HG LEU 24 HG LEU 24 -13.010 -3.568 -6.804 205 HD11 LEU 24 1HD1 LEU 24 -12.258 -1.254 -6.863 206 HD12 LEU 24 2HD1 LEU 24 -13.698 -1.401 -5.858 207 HD13 LEU 24 3HD1 LEU 24 -13.824 -0.728 -7.486 208 HD21 LEU 24 1HD2 LEU 24 -15.375 -3.194 -6.321 209 HD22 LEU 24 2HD2 LEU 24 -15.157 -4.302 -7.671 210 HD23 LEU 24 3HD2 LEU 24 -15.636 -2.633 -7.974 211 H ALA 25 H ALA 25 -10.579 -4.000 -10.377 212 HA ALA 25 HA ALA 25 -11.083 -3.160 -13.029 213 HB1 ALA 25 1HB ALA 25 -8.671 -3.350 -13.384 214 HB2 ALA 25 2HB ALA 25 -8.509 -4.312 -11.909 215 HB3 ALA 25 3HB ALA 25 -9.014 -2.624 -11.815 216 H GLN 26 H GLN 26 -10.168 -6.353 -11.760 217 HA GLN 26 HA GLN 26 -9.794 -7.695 -14.234 218 HB2 GLN 26 2HB GLN 26 -10.558 -8.782 -11.487 219 HB3 GLN 26 1HB GLN 26 -10.088 -9.793 -12.850 220 HG2 GLN 26 2HG GLN 26 -7.837 -8.918 -12.827 221 HG3 GLN 26 1HG GLN 26 -8.267 -7.682 -11.646 222 HE21 GLN 26 1HE2 GLN 26 -6.189 -9.733 -11.455 223 HE22 GLN 26 2HE2 GLN 26 -6.554 -10.646 -10.036 224 H ARG 27 H ARG 27 -12.632 -7.244 -12.124 225 HA ARG 27 HA ARG 27 -14.443 -8.691 -13.891 226 HB2 ARG 27 2HB ARG 27 -15.021 -6.902 -11.494 227 HB3 ARG 27 1HB ARG 27 -16.194 -7.945 -12.301 228 HG2 ARG 27 2HG ARG 27 -14.936 -9.939 -11.664 229 HG3 ARG 27 1HG ARG 27 -13.665 -8.949 -10.949 230 HD2 ARG 27 2HD ARG 27 -15.379 -8.085 -9.309 231 HD3 ARG 27 1HD ARG 27 -16.517 -9.269 -9.962 232 HE ARG 27 HE ARG 27 -14.884 -11.013 -9.265 233 HH11 ARG 27 1HH1 ARG 27 -14.802 -7.899 -7.648 234 HH12 ARG 27 2HH1 ARG 27 -14.080 -8.540 -6.203 235 HH21 ARG 27 1HH2 ARG 27 -13.941 -11.842 -7.359 236 HH22 ARG 27 2HH2 ARG 27 -13.593 -10.765 -6.043 237 H GLY 28 H GLY 28 -13.195 -5.496 -13.835 238 HA2 GLY 28 2HA GLY 28 -13.387 -3.919 -15.534 239 HA3 GLY 28 1HA GLY 28 -14.820 -4.729 -16.133 240 H GLU 29 H GLU 29 -14.653 -3.886 -12.777 241 HA GLU 29 HA GLU 29 -16.779 -1.927 -12.962 242 HB2 GLU 29 2HB GLU 29 -15.197 -2.927 -10.552 243 HB3 GLU 29 1HB GLU 29 -16.662 -1.962 -10.484 244 HG2 GLU 29 2HG GLU 29 -16.446 -4.797 -11.540 245 HG3 GLU 29 1HG GLU 29 -17.117 -4.319 -9.979 246 H TRP 30 H TRP 30 -15.128 -0.649 -14.368 247 HA TRP 30 HA TRP 30 -12.829 0.533 -13.230 248 HB2 TRP 30 2HB TRP 30 -14.359 1.334 -15.746 249 HB3 TRP 30 1HB TRP 30 -12.736 1.885 -15.319 250 HD1 TRP 30 HD1 TRP 30 -14.470 -0.898 -17.120 251 HE1 TRP 30 HE1 TRP 30 -12.802 -2.748 -17.731 252 HE3 TRP 30 HE3 TRP 30 -10.464 0.637 -14.334 253 HZ2 TRP 30 HZ2 TRP 30 -10.150 -3.468 -17.144 254 HZ3 TRP 30 HZ3 TRP 30 -8.394 -0.691 -14.416 255 HH2 TRP 30 HH2 TRP 30 -8.245 -2.700 -15.790 256 H ASP 31 H ASP 31 -16.163 1.630 -13.452 257 HA ASP 31 HA ASP 31 -15.857 4.339 -12.731 258 HB2 ASP 31 2HB ASP 31 -18.146 2.419 -12.077 259 HB3 ASP 31 1HB ASP 31 -18.229 4.174 -11.909 260 H LEU 32 H LEU 32 -16.095 1.401 -10.784 261 HA LEU 32 HA LEU 32 -16.134 2.693 -8.226 262 HB2 LEU 32 2HB LEU 32 -15.450 -0.201 -8.881 263 HB3 LEU 32 1HB LEU 32 -15.856 0.431 -7.292 264 HG LEU 32 HG LEU 32 -17.726 0.180 -9.676 265 HD11 LEU 32 1HD1 LEU 32 -17.803 -1.223 -6.996 266 HD12 LEU 32 2HD1 LEU 32 -17.313 -1.935 -8.534 267 HD13 LEU 32 3HD1 LEU 32 -18.977 -1.406 -8.304 268 HD21 LEU 32 1HD2 LEU 32 -18.376 1.369 -6.965 269 HD22 LEU 32 2HD2 LEU 32 -19.534 1.031 -8.255 270 HD23 LEU 32 3HD2 LEU 32 -18.280 2.243 -8.497 271 H LEU 33 H LEU 33 -13.556 1.543 -10.394 272 HA LEU 33 HA LEU 33 -11.391 1.969 -8.589 273 HB2 LEU 33 2HB LEU 33 -11.492 1.928 -11.615 274 HB3 LEU 33 1HB LEU 33 -10.049 2.519 -10.812 275 HG LEU 33 HG LEU 33 -10.064 0.241 -9.538 276 HD11 LEU 33 1HD1 LEU 33 -12.276 -0.486 -10.166 277 HD12 LEU 33 2HD1 LEU 33 -11.054 -1.630 -10.715 278 HD13 LEU 33 3HD1 LEU 33 -11.811 -0.527 -11.870 279 HD21 LEU 33 1HD2 LEU 33 -8.338 0.863 -11.146 280 HD22 LEU 33 2HD2 LEU 33 -9.352 0.315 -12.482 281 HD23 LEU 33 3HD2 LEU 33 -8.749 -0.846 -11.296 282 H LEU 34 H LEU 34 -13.049 4.113 -10.882 283 HA LEU 34 HA LEU 34 -11.408 6.391 -10.542 284 HB2 LEU 34 2HB LEU 34 -14.346 6.283 -11.343 285 HB3 LEU 34 1HB LEU 34 -13.275 7.655 -11.586 286 HG LEU 34 HG LEU 34 -13.016 4.942 -12.939 287 HD11 LEU 34 1HD1 LEU 34 -13.636 6.101 -15.014 288 HD12 LEU 34 2HD1 LEU 34 -13.910 7.590 -14.104 289 HD13 LEU 34 3HD1 LEU 34 -14.920 6.173 -13.806 290 HD21 LEU 34 1HD2 LEU 34 -11.334 7.423 -13.383 291 HD22 LEU 34 2HD2 LEU 34 -11.239 5.921 -14.305 292 HD23 LEU 34 3HD2 LEU 34 -10.803 5.933 -12.599 293 H GLN 35 H GLN 35 -14.260 5.255 -8.756 294 HA GLN 35 HA GLN 35 -14.638 7.516 -7.055 295 HB2 GLN 35 2HB GLN 35 -15.244 4.569 -6.530 296 HB3 GLN 35 1HB GLN 35 -15.830 5.904 -5.539 297 HG2 GLN 35 2HG GLN 35 -17.100 6.773 -7.467 298 HG3 GLN 35 1HG GLN 35 -16.530 5.422 -8.446 299 HE21 GLN 35 1HE2 GLN 35 -19.265 6.126 -7.805 300 HE22 GLN 35 2HE2 GLN 35 -19.941 4.763 -6.989 301 H GLN 36 H GLN 36 -13.010 4.397 -6.497 302 HA GLN 36 HA GLN 36 -11.989 5.117 -3.919 303 HB2 GLN 36 2HB GLN 36 -11.324 2.694 -5.634 304 HB3 GLN 36 1HB GLN 36 -10.947 2.885 -3.925 305 HG2 GLN 36 2HG GLN 36 -13.713 2.712 -5.142 306 HG3 GLN 36 1HG GLN 36 -12.900 1.452 -4.220 307 HE21 GLN 36 1HE2 GLN 36 -15.466 2.843 -3.764 308 HE22 GLN 36 2HE2 GLN 36 -15.360 3.494 -2.169 309 H GLU 37 H GLU 37 -10.860 5.738 -7.039 310 HA GLU 37 HA GLU 37 -8.097 5.684 -6.937 311 HB2 GLU 37 2HB GLU 37 -9.423 6.275 -8.941 312 HB3 GLU 37 1HB GLU 37 -9.904 7.796 -8.196 313 HG2 GLU 37 2HG GLU 37 -7.469 8.460 -8.165 314 HG3 GLU 37 1HG GLU 37 -7.109 6.997 -9.085 315 H VAL 38 H VAL 38 -10.279 8.344 -5.926 316 HA VAL 38 HA VAL 38 -8.329 10.162 -5.032 317 HB VAL 38 HB VAL 38 -11.186 9.911 -3.968 318 HG11 VAL 38 1HG1 VAL 38 -10.998 12.334 -3.447 319 HG12 VAL 38 2HG1 VAL 38 -9.310 12.311 -3.961 320 HG13 VAL 38 3HG1 VAL 38 -9.812 11.377 -2.552 321 HG21 VAL 38 1HG2 VAL 38 -10.188 11.531 -6.343 322 HG22 VAL 38 2HG2 VAL 38 -11.828 11.562 -5.691 323 HG23 VAL 38 3HG2 VAL 38 -11.200 10.085 -6.423 324 H SER 39 H SER 39 -10.161 7.671 -3.275 325 HA SER 39 HA SER 39 -9.171 7.991 -0.702 326 HB2 SER 39 2HB SER 39 -9.982 5.395 -2.087 327 HB3 SER 39 1HB SER 39 -9.853 5.629 -0.345 328 HG SER 39 HG SER 39 -11.998 5.911 -1.561 329 H TYR 40 H TYR 40 -7.914 5.905 -3.319 330 HA TYR 40 HA TYR 40 -5.892 4.619 -1.823 331 HB2 TYR 40 2HB TYR 40 -6.807 3.641 -3.891 332 HB3 TYR 40 1HB TYR 40 -6.172 4.981 -4.842 333 HD1 TYR 40 HD1 TYR 40 -4.872 2.415 -2.390 334 HD2 TYR 40 HD2 TYR 40 -4.184 4.525 -6.048 335 HE1 TYR 40 HE1 TYR 40 -2.801 1.157 -2.733 336 HE2 TYR 40 HE2 TYR 40 -2.100 3.255 -6.389 337 HH TYR 40 HH TYR 40 -0.466 1.982 -5.079 338 H LEU 41 H LEU 41 -5.773 7.300 -4.128 339 HA LEU 41 HA LEU 41 -3.015 7.766 -4.173 340 HB2 LEU 41 2HB LEU 41 -5.355 9.636 -4.707 341 HB3 LEU 41 1HB LEU 41 -3.691 10.024 -5.087 342 HG LEU 41 HG LEU 41 -5.387 7.853 -6.373 343 HD11 LEU 41 1HD1 LEU 41 -5.093 9.164 -8.441 344 HD12 LEU 41 2HD1 LEU 41 -4.207 10.395 -7.536 345 HD13 LEU 41 3HD1 LEU 41 -5.909 10.088 -7.180 346 HD21 LEU 41 1HD2 LEU 41 -3.482 7.342 -7.842 347 HD22 LEU 41 2HD2 LEU 41 -3.106 6.990 -6.158 348 HD23 LEU 41 3HD2 LEU 41 -2.459 8.445 -6.919 349 H GLN 42 H GLN 42 -5.597 9.317 -2.237 350 HA GLN 42 HA GLN 42 -4.010 11.190 -0.851 351 HB2 GLN 42 2HB GLN 42 -6.536 11.181 -1.024 352 HB3 GLN 42 1HB GLN 42 -6.574 9.862 0.142 353 HG2 GLN 42 2HG GLN 42 -5.501 11.348 1.824 354 HG3 GLN 42 1HG GLN 42 -5.520 12.669 0.653 355 HE21 GLN 42 1HE2 GLN 42 -6.776 12.583 3.257 356 HE22 GLN 42 2HE2 GLN 42 -8.473 12.803 3.001 357 H SER 43 H SER 43 -4.961 7.856 -0.075 358 HA SER 43 HA SER 43 -3.954 7.684 2.548 359 HB2 SER 43 2HB SER 43 -4.400 5.482 0.486 360 HB3 SER 43 1HB SER 43 -4.065 5.201 2.200 361 HG SER 43 HG SER 43 -6.224 6.798 1.303 362 H ILE 44 H ILE 44 -2.485 6.510 -0.516 363 HA ILE 44 HA ILE 44 -0.148 5.472 0.624 364 HB ILE 44 HB ILE 44 -0.886 4.757 -1.578 365 HG12 ILE 44 2HG1 ILE 44 1.897 6.001 -1.591 366 HG13 ILE 44 1HG1 ILE 44 1.466 4.340 -1.213 367 HG21 ILE 44 1HG2 ILE 44 -0.740 6.121 -3.589 368 HG22 ILE 44 2HG2 ILE 44 -0.154 7.490 -2.643 369 HG23 ILE 44 3HG2 ILE 44 -1.792 6.886 -2.396 370 HD11 ILE 44 1HD1 ILE 44 1.313 5.647 -3.938 371 HD12 ILE 44 2HD1 ILE 44 0.839 3.983 -3.570 372 HD13 ILE 44 3HD1 ILE 44 2.521 4.479 -3.385 373 H GLU 45 H GLU 45 -0.744 8.749 -0.790 374 HA GLU 45 HA GLU 45 1.836 9.816 -0.394 375 HB2 GLU 45 2HB GLU 45 -0.884 11.154 -0.296 376 HB3 GLU 45 1HB GLU 45 0.621 12.058 -0.167 377 HG2 GLU 45 2HG GLU 45 -0.197 10.342 -2.509 378 HG3 GLU 45 1HG GLU 45 -0.335 12.095 -2.426 379 H THR 46 H THR 46 -0.970 9.801 1.836 380 HA THR 46 HA THR 46 0.108 11.266 3.951 381 HB THR 46 HB THR 46 -1.975 9.032 4.060 382 HG1 THR 46 HG1 THR 46 -2.351 11.014 2.775 383 HG21 THR 46 1HG2 THR 46 -2.744 10.042 6.193 384 HG22 THR 46 2HG2 THR 46 -1.395 11.177 6.151 385 HG23 THR 46 3HG2 THR 46 -1.088 9.452 6.347 386 H VAL 47 H VAL 47 0.340 7.787 3.283 387 HA VAL 47 HA VAL 47 1.576 7.058 5.764 388 HB VAL 47 HB VAL 47 1.666 5.508 3.133 389 HG11 VAL 47 1HG1 VAL 47 1.940 4.533 6.008 390 HG12 VAL 47 2HG1 VAL 47 3.244 4.645 4.822 391 HG13 VAL 47 3HG1 VAL 47 1.919 3.509 4.571 392 HG21 VAL 47 1HG2 VAL 47 -0.449 5.455 5.308 393 HG22 VAL 47 2HG2 VAL 47 -0.366 4.342 3.945 394 HG23 VAL 47 3HG2 VAL 47 -0.647 6.056 3.666 395 H MET 48 H MET 48 2.798 7.883 2.515 396 HA MET 48 HA MET 48 5.576 7.488 3.161 397 HB2 MET 48 2HB MET 48 4.219 8.955 0.867 398 HB3 MET 48 1HB MET 48 5.970 8.818 1.011 399 HG2 MET 48 2HG MET 48 5.727 6.330 0.986 400 HG3 MET 48 1HG MET 48 4.000 6.538 0.694 401 HE1 MET 48 1HE MET 48 2.954 7.280 -1.599 402 HE2 MET 48 2HE MET 48 3.882 7.980 -2.924 403 HE3 MET 48 3HE MET 48 3.711 8.862 -1.405 404 H GLU 49 H GLU 49 3.353 10.099 3.756 405 HA GLU 49 HA GLU 49 5.406 12.064 4.433 406 HB2 GLU 49 2HB GLU 49 2.391 12.026 4.887 407 HB3 GLU 49 1HB GLU 49 3.432 13.374 5.341 408 HG2 GLU 49 2HG GLU 49 4.063 13.730 3.001 409 HG3 GLU 49 1HG GLU 49 3.114 12.332 2.508 410 H LYS 50 H LYS 50 4.231 9.311 5.978 411 HA LYS 50 HA LYS 50 4.673 10.312 8.712 412 HB2 LYS 50 2HB LYS 50 3.268 7.915 7.551 413 HB3 LYS 50 1HB LYS 50 4.068 7.659 9.097 414 HG2 LYS 50 2HG LYS 50 1.640 8.269 9.284 415 HG3 LYS 50 1HG LYS 50 2.727 9.336 10.178 416 HD2 LYS 50 2HD LYS 50 2.583 11.000 8.340 417 HD3 LYS 50 1HD LYS 50 1.478 9.937 7.472 418 HE2 LYS 50 2HE LYS 50 -0.180 10.175 9.253 419 HE3 LYS 50 1HE LYS 50 0.947 11.162 10.191 420 HZ1 LYS 50 1HZ LYS 50 -0.640 12.534 8.996 421 HZ2 LYS 50 2HZ LYS 50 -0.157 11.865 7.522 422 HZ3 LYS 50 3HZ LYS 50 0.923 12.802 8.417 423 H GLN 51 H GLN 51 6.482 9.975 9.800 424 HA GLN 51 HA GLN 51 8.789 8.683 8.745 425 HB2 GLN 51 2HB GLN 51 8.888 10.565 10.384 426 HB3 GLN 51 1HB GLN 51 8.156 9.543 11.614 427 HG2 GLN 51 2HG GLN 51 10.162 8.033 11.476 428 HG3 GLN 51 1HG GLN 51 10.893 9.170 10.343 429 HE21 GLN 51 1HE2 GLN 51 11.553 11.230 11.134 430 HE22 GLN 51 2HE2 GLN 51 11.838 11.502 12.817 431 H THR 52 H THR 52 9.758 6.712 9.452 432 HA THR 52 HA THR 52 8.164 4.480 10.033 433 HB THR 52 HB THR 52 11.152 4.782 10.631 434 HG1 THR 52 HG1 THR 52 9.732 4.594 8.232 435 HG21 THR 52 1HG2 THR 52 9.516 2.325 9.877 436 HG22 THR 52 2HG2 THR 52 10.126 2.678 11.494 437 HG23 THR 52 3HG2 THR 52 11.255 2.357 10.178 438 HA PRO 53 HA PRO 53 7.513 5.404 14.504 439 HB2 PRO 53 2HB PRO 53 6.333 2.624 14.484 440 HB3 PRO 53 1HB PRO 53 5.613 4.149 15.049 441 HG2 PRO 53 2HG PRO 53 4.789 3.069 12.777 442 HG3 PRO 53 1HG PRO 53 5.017 4.831 12.893 443 HD2 PRO 53 2HD PRO 53 6.857 2.774 11.656 444 HD3 PRO 53 1HD PRO 53 6.348 4.359 11.022 445 HA PRO 54 HA PRO 54 10.959 3.256 16.442 446 HB2 PRO 54 2HB PRO 54 9.543 3.582 19.065 447 HB3 PRO 54 1HB PRO 54 11.104 4.244 18.535 448 HG2 PRO 54 2HG PRO 54 8.970 5.832 18.803 449 HG3 PRO 54 1HG PRO 54 10.135 6.081 17.480 450 HD2 PRO 54 2HD PRO 54 7.438 4.720 17.384 451 HD3 PRO 54 1HD PRO 54 8.147 5.904 16.258 452 H GLY 55 H GLY 55 7.726 2.328 17.675 453 HA2 GLY 55 2HA GLY 55 8.661 -0.237 18.685 454 HA3 GLY 55 1HA GLY 55 7.050 0.435 18.821 455 H ILE 56 H ILE 56 9.157 -0.501 16.081 456 HA ILE 56 HA ILE 56 7.008 -2.215 14.985 457 HB ILE 56 HB ILE 56 9.615 -1.222 13.719 458 HG12 ILE 56 2HG1 ILE 56 6.689 -0.580 13.113 459 HG13 ILE 56 1HG1 ILE 56 7.865 0.513 13.832 460 HG21 ILE 56 1HG2 ILE 56 9.139 -3.523 12.927 461 HG22 ILE 56 2HG2 ILE 56 8.918 -2.354 11.628 462 HG23 ILE 56 3HG2 ILE 56 7.514 -3.029 12.451 463 HD11 ILE 56 1HD1 ILE 56 7.503 1.087 11.541 464 HD12 ILE 56 2HD1 ILE 56 7.884 -0.550 11.013 465 HD13 ILE 56 3HD1 ILE 56 9.143 0.466 11.722 466 H THR 57 H THR 57 7.085 -4.273 15.654 467 HA THR 57 HA THR 57 9.610 -5.575 16.462 468 HB THR 57 HB THR 57 8.090 -7.274 17.524 469 HG1 THR 57 HG1 THR 57 5.796 -5.929 17.553 470 HG21 THR 57 1HG2 THR 57 7.461 -4.418 18.388 471 HG22 THR 57 2HG2 THR 57 8.867 -5.357 18.897 472 HG23 THR 57 3HG2 THR 57 7.247 -5.871 19.369 473 H ARG 58 H ARG 58 8.913 -8.222 16.066 474 HA ARG 58 HA ARG 58 9.544 -8.700 13.382 475 HB2 ARG 58 2HB ARG 58 10.033 -10.243 15.295 476 HB3 ARG 58 1HB ARG 58 8.323 -10.638 15.394 477 HG2 ARG 58 2HG ARG 58 9.583 -12.412 14.272 478 HG3 ARG 58 1HG ARG 58 8.413 -11.687 13.171 479 HD2 ARG 58 2HD ARG 58 10.072 -10.687 11.856 480 HD3 ARG 58 1HD ARG 58 11.253 -10.673 13.170 481 HE ARG 58 HE ARG 58 11.810 -12.872 12.721 482 HH11 ARG 58 1HH1 ARG 58 9.190 -11.928 10.555 483 HH12 ARG 58 2HH1 ARG 58 9.412 -13.303 9.524 484 HH21 ARG 58 1HH2 ARG 58 12.054 -14.661 11.380 485 HH22 ARG 58 2HH2 ARG 58 11.026 -14.850 9.992 486 H SER 59 H SER 59 6.467 -9.577 15.052 487 HA SER 59 HA SER 59 4.994 -10.348 12.828 488 HB2 SER 59 2HB SER 59 3.915 -9.042 15.354 489 HB3 SER 59 1HB SER 59 2.987 -10.039 14.235 490 HG SER 59 HG SER 59 3.641 -11.676 15.346 491 H ILE 60 H ILE 60 5.407 -7.118 14.216 492 HA ILE 60 HA ILE 60 3.518 -5.706 12.661 493 HB ILE 60 HB ILE 60 6.054 -4.726 14.039 494 HG12 ILE 60 2HG1 ILE 60 3.118 -4.539 14.873 495 HG13 ILE 60 1HG1 ILE 60 4.300 -5.654 15.551 496 HG21 ILE 60 1HG2 ILE 60 3.833 -3.036 12.820 497 HG22 ILE 60 2HG2 ILE 60 5.497 -3.137 12.243 498 HG23 ILE 60 3HG2 ILE 60 5.152 -2.421 13.817 499 HD11 ILE 60 1HD1 ILE 60 5.575 -3.750 16.419 500 HD12 ILE 60 2HD1 ILE 60 3.927 -3.802 17.033 501 HD13 ILE 60 3HD1 ILE 60 4.356 -2.650 15.772 502 H GLN 61 H GLN 61 7.021 -6.293 12.183 503 HA GLN 61 HA GLN 61 7.339 -4.801 9.812 504 HB2 GLN 61 2HB GLN 61 9.261 -5.528 11.172 505 HB3 GLN 61 1HB GLN 61 8.913 -7.218 10.814 506 HG2 GLN 61 2HG GLN 61 9.352 -6.760 8.399 507 HG3 GLN 61 1HG GLN 61 9.785 -5.106 8.815 508 HE21 GLN 61 1HE2 GLN 61 11.365 -7.227 7.541 509 HE22 GLN 61 2HE2 GLN 61 12.774 -7.410 8.524 510 H ASP 62 H ASP 62 6.418 -8.185 10.351 511 HA ASP 62 HA ASP 62 6.418 -8.999 7.618 512 HB2 ASP 62 2HB ASP 62 5.100 -10.166 10.093 513 HB3 ASP 62 1HB ASP 62 4.964 -10.925 8.514 514 H MET 63 H MET 63 3.873 -7.665 9.734 515 HA MET 63 HA MET 63 1.724 -7.993 7.883 516 HB2 MET 63 2HB MET 63 1.996 -6.095 10.250 517 HB3 MET 63 1HB MET 63 0.528 -6.248 9.292 518 HG2 MET 63 2HG MET 63 0.400 -8.645 9.925 519 HG3 MET 63 1HG MET 63 1.808 -8.419 10.960 520 HE1 MET 63 1HE MET 63 1.234 -5.425 12.151 521 HE2 MET 63 2HE MET 63 1.805 -6.778 13.132 522 HE3 MET 63 3HE MET 63 0.389 -5.859 13.637 523 H VAL 64 H VAL 64 3.798 -5.206 8.686 524 HA VAL 64 HA VAL 64 2.702 -3.336 6.893 525 HB VAL 64 HB VAL 64 5.482 -3.486 8.154 526 HG11 VAL 64 1HG1 VAL 64 4.294 -1.170 6.578 527 HG12 VAL 64 2HG1 VAL 64 5.690 -2.142 6.116 528 HG13 VAL 64 3HG1 VAL 64 5.779 -1.093 7.530 529 HG21 VAL 64 1HG2 VAL 64 3.625 -3.178 9.757 530 HG22 VAL 64 2HG2 VAL 64 3.064 -1.768 8.856 531 HG23 VAL 64 3HG2 VAL 64 4.627 -1.727 9.676 532 H ALA 65 H ALA 65 5.758 -5.242 6.546 533 HA ALA 65 HA ALA 65 6.283 -4.527 3.878 534 HB1 ALA 65 1HB ALA 65 7.911 -6.347 3.826 535 HB2 ALA 65 2HB ALA 65 7.184 -7.076 5.269 536 HB3 ALA 65 3HB ALA 65 7.991 -5.513 5.378 537 H GLY 66 H GLY 66 4.439 -7.276 5.214 538 HA2 GLY 66 2HA GLY 66 3.906 -8.716 2.861 539 HA3 GLY 66 1HA GLY 66 2.855 -8.655 4.270 540 H TYR 67 H TYR 67 2.173 -5.975 4.301 541 HA TYR 67 HA TYR 67 0.129 -5.811 2.316 542 HB2 TYR 67 2HB TYR 67 1.086 -3.855 4.431 543 HB3 TYR 67 1HB TYR 67 -0.214 -3.456 3.310 544 HD1 TYR 67 HD1 TYR 67 -1.409 -6.404 3.310 545 HD2 TYR 67 HD2 TYR 67 -0.329 -3.643 6.387 546 HE1 TYR 67 HE1 TYR 67 -3.094 -7.399 4.797 547 HE2 TYR 67 HE2 TYR 67 -2.007 -4.637 7.841 548 HH TYR 67 HH TYR 67 -3.483 -7.593 7.254 549 H ILE 68 H ILE 68 3.312 -4.271 2.695 550 HA ILE 68 HA ILE 68 3.126 -2.333 0.659 551 HB ILE 68 HB ILE 68 5.656 -3.846 1.509 552 HG12 ILE 68 2HG1 ILE 68 4.606 -1.152 2.501 553 HG13 ILE 68 1HG1 ILE 68 4.606 -2.644 3.420 554 HG21 ILE 68 1HG2 ILE 68 6.904 -1.925 0.549 555 HG22 ILE 68 2HG2 ILE 68 5.388 -1.219 -0.012 556 HG23 ILE 68 3HG2 ILE 68 5.942 -2.755 -0.679 557 HD11 ILE 68 1HD1 ILE 68 6.392 -1.187 4.131 558 HD12 ILE 68 2HD1 ILE 68 7.047 -1.142 2.495 559 HD13 ILE 68 3HD1 ILE 68 7.050 -2.654 3.408 560 H LYS 69 H LYS 69 4.534 -5.617 0.589 561 HA LYS 69 HA LYS 69 5.162 -5.862 -2.099 562 HB2 LYS 69 2HB LYS 69 5.798 -7.487 -0.261 563 HB3 LYS 69 1HB LYS 69 4.155 -8.103 -0.275 564 HG2 LYS 69 2HG LYS 69 5.573 -9.622 -1.519 565 HG3 LYS 69 1HG LYS 69 4.487 -8.815 -2.654 566 HD2 LYS 69 2HD LYS 69 6.291 -7.272 -3.319 567 HD3 LYS 69 1HD LYS 69 7.385 -8.012 -2.145 568 HE2 LYS 69 2HE LYS 69 7.857 -8.843 -4.396 569 HE3 LYS 69 1HE LYS 69 7.244 -10.156 -3.393 570 HZ1 LYS 69 1HZ LYS 69 5.046 -9.787 -4.421 571 HZ2 LYS 69 2HZ LYS 69 6.226 -10.236 -5.543 572 HZ3 LYS 69 3HZ LYS 69 5.727 -8.624 -5.441 573 H GLN 70 H GLN 70 2.175 -6.654 -0.360 574 HA GLN 70 HA GLN 70 0.743 -7.885 -2.418 575 HB2 GLN 70 2HB GLN 70 0.166 -7.942 0.024 576 HB3 GLN 70 1HB GLN 70 -0.410 -6.282 -0.100 577 HG2 GLN 70 2HG GLN 70 -2.154 -6.974 -1.672 578 HG3 GLN 70 1HG GLN 70 -1.541 -8.629 -1.657 579 HE21 GLN 70 1HE2 GLN 70 -3.361 -9.585 -0.867 580 HE22 GLN 70 2HE2 GLN 70 -3.999 -9.305 0.708 581 H THR 71 H THR 71 0.790 -4.437 -1.398 582 HA THR 71 HA THR 71 -1.214 -3.667 -3.339 583 HB THR 71 HB THR 71 -1.156 -2.487 -1.204 584 HG1 THR 71 HG1 THR 71 -0.513 -0.801 -3.421 585 HG21 THR 71 1HG2 THR 71 1.494 -1.259 -2.021 586 HG22 THR 71 2HG2 THR 71 1.287 -2.471 -0.758 587 HG23 THR 71 3HG2 THR 71 0.543 -0.884 -0.574 588 H LEU 72 H LEU 72 2.266 -3.860 -3.277 589 HA LEU 72 HA LEU 72 2.728 -2.221 -5.595 590 HB2 LEU 72 2HB LEU 72 4.495 -4.388 -4.381 591 HB3 LEU 72 1HB LEU 72 4.977 -3.317 -5.687 592 HG LEU 72 HG LEU 72 4.535 -2.637 -2.778 593 HD11 LEU 72 1HD1 LEU 72 6.769 -3.397 -3.404 594 HD12 LEU 72 2HD1 LEU 72 6.791 -1.711 -2.897 595 HD13 LEU 72 3HD1 LEU 72 6.885 -2.117 -4.615 596 HD21 LEU 72 1HD2 LEU 72 4.769 -0.249 -3.323 597 HD22 LEU 72 2HD2 LEU 72 3.288 -0.941 -3.964 598 HD23 LEU 72 3HD2 LEU 72 4.655 -0.628 -5.040 599 H ASP 73 H ASP 73 2.063 -5.621 -5.003 600 HA ASP 73 HA ASP 73 2.378 -6.463 -7.738 601 HB2 ASP 73 2HB ASP 73 0.988 -7.838 -5.392 602 HB3 ASP 73 1HB ASP 73 1.211 -8.577 -6.978 603 H ASN 74 H ASN 74 -0.344 -5.461 -5.692 604 HA ASN 74 HA ASN 74 -2.472 -5.981 -7.467 605 HB2 ASN 74 2HB ASN 74 -2.233 -3.817 -5.321 606 HB3 ASN 74 1HB ASN 74 -3.725 -4.177 -6.181 607 HD21 ASN 74 1HD2 ASN 74 -3.167 -4.300 -3.342 608 HD22 ASN 74 2HD2 ASN 74 -3.539 -5.911 -2.850 609 H GLU 75 H GLU 75 -0.604 -2.983 -6.881 610 HA GLU 75 HA GLU 75 -1.634 -1.434 -8.985 611 HB2 GLU 75 2HB GLU 75 -0.443 -0.227 -7.344 612 HB3 GLU 75 1HB GLU 75 0.950 -1.303 -7.395 613 HG2 GLU 75 2HG GLU 75 1.848 -0.289 -9.299 614 HG3 GLU 75 1HG GLU 75 0.288 0.291 -9.868 615 H GLN 76 H GLN 76 1.123 -3.688 -8.887 616 HA GLN 76 HA GLN 76 2.277 -3.198 -11.395 617 HB2 GLN 76 2HB GLN 76 3.448 -4.523 -9.757 618 HB3 GLN 76 1HB GLN 76 2.144 -5.696 -9.669 619 HG2 GLN 76 2HG GLN 76 2.680 -6.464 -11.949 620 HG3 GLN 76 1HG GLN 76 3.993 -5.291 -12.035 621 HE21 GLN 76 1HE2 GLN 76 3.203 -7.186 -9.129 622 HE22 GLN 76 2HE2 GLN 76 4.651 -8.121 -9.153 623 H LEU 77 H LEU 77 -0.319 -5.401 -10.471 624 HA LEU 77 HA LEU 77 -0.690 -6.617 -13.029 625 HB2 LEU 77 2HB LEU 77 -2.486 -6.478 -10.580 626 HB3 LEU 77 1HB LEU 77 -2.815 -7.475 -11.987 627 HG LEU 77 HG LEU 77 -0.373 -7.789 -10.199 628 HD11 LEU 77 1HD1 LEU 77 -1.467 -9.818 -9.336 629 HD12 LEU 77 2HD1 LEU 77 -2.920 -9.430 -10.261 630 HD13 LEU 77 3HD1 LEU 77 -2.384 -8.360 -8.965 631 HD21 LEU 77 1HD2 LEU 77 -1.381 -9.558 -12.447 632 HD22 LEU 77 2HD2 LEU 77 -0.023 -9.913 -11.374 633 HD23 LEU 77 3HD2 LEU 77 0.065 -8.543 -12.476 634 H LEU 78 H LEU 78 -2.233 -3.914 -11.305 635 HA LEU 78 HA LEU 78 -4.216 -3.284 -13.220 636 HB2 LEU 78 2HB LEU 78 -2.815 -1.463 -11.216 637 HB3 LEU 78 1HB LEU 78 -4.228 -0.995 -12.154 638 HG LEU 78 HG LEU 78 -4.112 -3.153 -10.016 639 HD11 LEU 78 1HD1 LEU 78 -4.185 -0.872 -9.123 640 HD12 LEU 78 2HD1 LEU 78 -5.679 -1.745 -8.788 641 HD13 LEU 78 3HD1 LEU 78 -5.637 -0.537 -10.075 642 HD21 LEU 78 1HD2 LEU 78 -6.529 -3.452 -10.390 643 HD22 LEU 78 2HD2 LEU 78 -5.572 -3.927 -11.787 644 HD23 LEU 78 3HD2 LEU 78 -6.441 -2.390 -11.796 645 H LYS 79 H LYS 79 -0.832 -2.256 -12.936 646 HA LYS 79 HA LYS 79 -0.997 -0.245 -15.001 647 HB2 LYS 79 2HB LYS 79 1.399 -1.498 -13.577 648 HB3 LYS 79 1HB LYS 79 1.529 -0.177 -14.733 649 HG2 LYS 79 2HG LYS 79 0.135 -0.102 -12.040 650 HG3 LYS 79 1HG LYS 79 1.634 0.715 -12.480 651 HD2 LYS 79 2HD LYS 79 0.359 2.115 -14.115 652 HD3 LYS 79 1HD LYS 79 -1.133 1.317 -13.610 653 HE2 LYS 79 2HE LYS 79 0.665 2.980 -11.812 654 HE3 LYS 79 1HE LYS 79 -0.852 3.522 -12.531 655 HZ1 LYS 79 1HZ LYS 79 -2.023 1.834 -11.275 656 HZ2 LYS 79 2HZ LYS 79 -1.122 2.813 -10.226 657 HZ3 LYS 79 3HZ LYS 79 -0.572 1.266 -10.622 658 H GLY 80 H GLY 80 0.023 -3.615 -14.791 659 HA2 GLY 80 2HA GLY 80 1.072 -3.902 -17.437 660 HA3 GLY 80 1HA GLY 80 0.556 -5.198 -16.365 661 H LEU 81 H LEU 81 -2.107 -4.355 -15.957 662 HA LEU 81 HA LEU 81 -3.487 -5.462 -18.182 663 HB2 LEU 81 2HB LEU 81 -4.219 -5.475 -15.746 664 HB3 LEU 81 1HB LEU 81 -4.648 -3.787 -15.899 665 HG LEU 81 HG LEU 81 -5.982 -6.002 -17.534 666 HD11 LEU 81 1HD1 LEU 81 -6.968 -4.801 -14.922 667 HD12 LEU 81 2HD1 LEU 81 -6.375 -6.447 -15.160 668 HD13 LEU 81 3HD1 LEU 81 -7.859 -5.928 -15.951 669 HD21 LEU 81 1HD2 LEU 81 -6.882 -3.146 -17.001 670 HD22 LEU 81 2HD2 LEU 81 -7.809 -4.371 -17.874 671 HD23 LEU 81 3HD2 LEU 81 -6.285 -3.787 -18.532 672 H LEU 82 H LEU 82 -3.428 -2.160 -16.861 673 HA LEU 82 HA LEU 82 -4.874 -0.900 -18.937 674 HB2 LEU 82 2HB LEU 82 -3.011 0.218 -16.802 675 HB3 LEU 82 1HB LEU 82 -3.994 1.225 -17.852 676 HG LEU 82 HG LEU 82 -5.168 -0.818 -15.918 677 HD11 LEU 82 1HD1 LEU 82 -3.977 0.889 -14.637 678 HD12 LEU 82 2HD1 LEU 82 -5.716 1.067 -14.433 679 HD13 LEU 82 3HD1 LEU 82 -4.835 2.172 -15.491 680 HD21 LEU 82 1HD2 LEU 82 -7.270 0.431 -16.266 681 HD22 LEU 82 2HD2 LEU 82 -6.671 -0.303 -17.752 682 HD23 LEU 82 3HD2 LEU 82 -6.471 1.431 -17.486 683 H GLN 83 H GLN 83 -1.529 -1.780 -18.628 684 HA GLN 83 HA GLN 83 0.306 -1.634 -19.941 685 HB2 GLN 83 2HB GLN 83 -1.736 -0.989 -22.109 686 HB3 GLN 83 1HB GLN 83 -0.046 -1.353 -22.430 687 HG2 GLN 83 2HG GLN 83 -0.379 -3.622 -21.476 688 HG3 GLN 83 1HG GLN 83 -2.077 -3.248 -21.206 689 HE21 GLN 83 1HE2 GLN 83 -2.356 -1.792 -23.778 690 HE22 GLN 83 2HE2 GLN 83 -2.370 -3.013 -24.998 691 H GLN 84 H GLN 84 -0.406 0.660 -18.439 692 HA GLN 84 HA GLN 84 0.094 3.030 -20.087 693 HB2 GLN 84 2HB GLN 84 -0.515 2.771 -17.112 694 HB3 GLN 84 1HB GLN 84 -0.320 4.300 -17.960 695 HG2 GLN 84 2HG GLN 84 -2.465 2.257 -18.609 696 HG3 GLN 84 1HG GLN 84 -2.697 3.639 -17.549 697 HE21 GLN 84 1HE2 GLN 84 -4.360 4.444 -18.869 698 HE22 GLN 84 2HE2 GLN 84 -4.061 5.168 -20.407 699 H ARG 85 H ARG 85 1.559 4.713 -18.937 700 HA ARG 85 HA ARG 85 4.167 3.501 -18.190 701 HB2 ARG 85 2HB ARG 85 3.764 6.201 -19.582 702 HB3 ARG 85 1HB ARG 85 5.275 5.328 -19.367 703 HG2 ARG 85 2HG ARG 85 2.976 4.515 -21.164 704 HG3 ARG 85 1HG ARG 85 4.513 5.195 -21.692 705 HD2 ARG 85 2HD ARG 85 5.702 3.196 -20.969 706 HD3 ARG 85 1HD ARG 85 4.235 2.547 -20.223 707 HE ARG 85 HE ARG 85 4.498 2.999 -23.140 708 HH11 ARG 85 1HH1 ARG 85 3.504 0.919 -20.479 709 HH12 ARG 85 2HH1 ARG 85 2.853 -0.299 -21.526 710 HH21 ARG 85 1HH2 ARG 85 3.633 1.401 -24.488 711 HH22 ARG 85 2HH2 ARG 85 2.926 -0.027 -23.801 712 H LEU 86 H LEU 86 2.143 3.998 -16.326 713 HA LEU 86 HA LEU 86 1.719 4.842 -14.291 714 HB2 LEU 86 2HB LEU 86 4.469 6.106 -14.544 715 HB3 LEU 86 1HB LEU 86 3.522 6.110 -13.064 716 HG LEU 86 HG LEU 86 4.399 3.538 -14.445 717 HD11 LEU 86 1HD1 LEU 86 6.390 4.814 -13.815 718 HD12 LEU 86 2HD1 LEU 86 6.208 3.371 -12.820 719 HD13 LEU 86 3HD1 LEU 86 5.791 4.955 -12.161 720 HD21 LEU 86 1HD2 LEU 86 3.898 2.490 -12.273 721 HD22 LEU 86 2HD2 LEU 86 2.474 3.286 -12.937 722 HD23 LEU 86 3HD2 LEU 86 3.379 4.050 -11.628 723 H ASP 87 H ASP 87 -0.030 5.988 -14.943 724 HA ASP 87 HA ASP 87 0.056 8.852 -14.657 725 HB2 ASP 87 2HB ASP 87 0.595 8.697 -17.049 726 HB3 ASP 87 1HB ASP 87 -0.752 7.604 -17.326 727 H GLU 88 H GLU 88 -1.970 6.251 -15.992 728 HA GLU 88 HA GLU 88 -4.485 7.198 -15.594 729 HB2 GLU 88 2HB GLU 88 -3.774 5.095 -16.826 730 HB3 GLU 88 1HB GLU 88 -3.707 4.285 -15.268 731 HG2 GLU 88 2HG GLU 88 -5.782 3.661 -16.232 732 HG3 GLU 88 1HG GLU 88 -6.168 4.844 -14.988 733 H LEU 89 H LEU 89 -2.792 5.046 -13.326 734 HA LEU 89 HA LEU 89 -4.405 6.069 -11.060 735 HB2 LEU 89 2HB LEU 89 -3.389 3.221 -11.460 736 HB3 LEU 89 1HB LEU 89 -4.253 3.796 -10.044 737 HG LEU 89 HG LEU 89 -5.428 3.607 -12.850 738 HD11 LEU 89 1HD1 LEU 89 -6.743 1.718 -12.028 739 HD12 LEU 89 2HD1 LEU 89 -5.930 1.809 -10.463 740 HD13 LEU 89 3HD1 LEU 89 -5.014 1.384 -11.911 741 HD21 LEU 89 1HD2 LEU 89 -6.793 4.327 -10.229 742 HD22 LEU 89 2HD2 LEU 89 -7.603 4.085 -11.778 743 HD23 LEU 89 3HD2 LEU 89 -6.474 5.421 -11.579 744 H SER 90 H SER 90 -2.276 7.461 -11.659 745 HA SER 90 HA SER 90 -0.278 6.891 -9.593 746 HB2 SER 90 2HB SER 90 0.551 5.704 -11.646 747 HB3 SER 90 1HB SER 90 0.507 7.225 -12.531 748 HG SER 90 HG SER 90 2.332 7.777 -11.651 749 H SER 91 H SER 91 -2.412 8.916 -10.429 750 HA SER 91 HA SER 91 -1.088 11.355 -11.140 751 HB2 SER 91 2HB SER 91 -3.941 10.871 -10.182 752 HB3 SER 91 1HB SER 91 -3.345 12.341 -10.962 753 HG SER 91 HG SER 91 -4.394 10.890 -12.419 754 H LEU 92 H LEU 92 0.463 11.373 -9.431 755 HA LEU 92 HA LEU 92 -0.397 12.764 -6.985 756 HB2 LEU 92 2HB LEU 92 1.367 10.267 -7.056 757 HB3 LEU 92 1HB LEU 92 1.290 11.342 -5.667 758 HG LEU 92 HG LEU 92 -1.073 9.783 -6.782 759 HD11 LEU 92 1HD1 LEU 92 0.588 9.234 -4.307 760 HD12 LEU 92 2HD1 LEU 92 0.527 8.259 -5.775 761 HD13 LEU 92 3HD1 LEU 92 -0.899 8.397 -4.759 762 HD21 LEU 92 1HD2 LEU 92 -1.862 11.796 -5.764 763 HD22 LEU 92 2HD2 LEU 92 -0.815 11.575 -4.363 764 HD23 LEU 92 3HD2 LEU 92 -2.160 10.475 -4.637 765 H ILE 93 H ILE 93 2.631 11.333 -8.097 766 HA ILE 93 HA ILE 93 3.891 13.990 -8.441 767 HB ILE 93 HB ILE 93 5.224 11.299 -7.798 768 HG12 ILE 93 2HG1 ILE 93 4.602 13.678 -5.975 769 HG13 ILE 93 1HG1 ILE 93 3.887 12.077 -5.876 770 HG21 ILE 93 1HG2 ILE 93 7.289 12.610 -7.398 771 HG22 ILE 93 2HG2 ILE 93 6.448 14.086 -7.874 772 HG23 ILE 93 3HG2 ILE 93 6.722 12.810 -9.060 773 HD11 ILE 93 1HD1 ILE 93 6.761 12.775 -5.306 774 HD12 ILE 93 2HD1 ILE 93 6.054 11.159 -5.222 775 HD13 ILE 93 3HD1 ILE 93 5.499 12.423 -4.126 776 H GLY 94 H GLY 94 2.952 10.985 -9.907 777 HA2 GLY 94 2HA GLY 94 2.438 10.913 -12.224 778 HA3 GLY 94 1HA GLY 94 3.779 11.998 -12.559 779 H GLN 95 H GLN 95 5.955 11.007 -11.606 780 HA GLN 95 HA GLN 95 6.445 8.662 -13.228 781 HB2 GLN 95 2HB GLN 95 8.823 9.015 -12.674 782 HB3 GLN 95 1HB GLN 95 8.064 10.515 -13.195 783 HG2 GLN 95 2HG GLN 95 7.990 11.355 -10.933 784 HG3 GLN 95 1HG GLN 95 8.520 9.806 -10.280 785 HE21 GLN 95 1HE2 GLN 95 9.540 12.661 -12.068 786 HE22 GLN 95 2HE2 GLN 95 11.236 12.423 -11.838 787 H SER 96 H SER 96 8.409 7.272 -11.963 788 HA SER 96 HA SER 96 6.885 5.439 -10.388 789 HB2 SER 96 2HB SER 96 8.983 4.064 -10.482 790 HB3 SER 96 1HB SER 96 8.452 4.621 -12.067 791 HG SER 96 HG SER 96 10.045 6.191 -12.029 792 H THR 97 H THR 97 8.064 8.221 -9.212 793 HA THR 97 HA THR 97 9.731 7.829 -7.086 794 HB THR 97 HB THR 97 7.247 9.604 -7.200 795 HG1 THR 97 HG1 THR 97 9.935 10.402 -7.593 796 HG21 THR 97 1HG2 THR 97 9.634 9.799 -5.311 797 HG22 THR 97 2HG2 THR 97 7.975 9.398 -4.851 798 HG23 THR 97 3HG2 THR 97 8.353 11.005 -5.468 799 H ARG 98 H ARG 98 6.272 7.147 -7.206 800 HA ARG 98 HA ARG 98 5.823 6.607 -4.439 801 HB2 ARG 98 2HB ARG 98 4.195 5.482 -6.746 802 HB3 ARG 98 1HB ARG 98 3.637 5.881 -5.125 803 HG2 ARG 98 2HG ARG 98 3.727 8.250 -5.593 804 HG3 ARG 98 1HG ARG 98 4.570 7.971 -7.120 805 HD2 ARG 98 2HD ARG 98 1.719 7.138 -6.477 806 HD3 ARG 98 1HD ARG 98 2.202 8.477 -7.517 807 HE ARG 98 HE ARG 98 2.891 6.954 -9.172 808 HH11 ARG 98 1HH1 ARG 98 1.475 5.267 -6.420 809 HH12 ARG 98 2HH1 ARG 98 1.231 3.787 -7.302 810 HH21 ARG 98 1HH2 ARG 98 2.589 5.000 -10.288 811 HH22 ARG 98 2HH2 ARG 98 1.859 3.642 -9.479 812 H GLN 99 H GLN 99 6.127 4.519 -7.303 813 HA GLN 99 HA GLN 99 5.962 1.999 -6.059 814 HB2 GLN 99 2HB GLN 99 5.574 2.493 -8.485 815 HB3 GLN 99 1HB GLN 99 7.290 2.802 -8.690 816 HG2 GLN 99 2HG GLN 99 6.666 0.602 -9.567 817 HG3 GLN 99 1HG GLN 99 7.790 0.445 -8.219 818 HE21 GLN 99 1HE2 GLN 99 4.394 0.146 -9.145 819 HE22 GLN 99 2HE2 GLN 99 3.953 -0.944 -7.881 820 H LYS 100 H LYS 100 8.630 4.144 -6.730 821 HA LYS 100 HA LYS 100 10.807 2.388 -6.124 822 HB2 LYS 100 2HB LYS 100 10.582 4.868 -7.404 823 HB3 LYS 100 1HB LYS 100 11.274 5.352 -5.873 824 HG2 LYS 100 2HG LYS 100 12.467 3.412 -7.876 825 HG3 LYS 100 1HG LYS 100 13.014 5.052 -7.533 826 HD2 LYS 100 2HD LYS 100 13.652 4.369 -5.242 827 HD3 LYS 100 1HD LYS 100 13.086 2.729 -5.569 828 HE2 LYS 100 2HE LYS 100 15.402 4.149 -6.929 829 HE3 LYS 100 1HE LYS 100 15.504 2.810 -5.783 830 HZ1 LYS 100 1HZ LYS 100 15.772 1.994 -8.000 831 HZ2 LYS 100 2HZ LYS 100 14.335 2.714 -8.507 832 HZ3 LYS 100 3HZ LYS 100 14.291 1.437 -7.409 833 H SER 101 H SER 101 8.884 4.805 -4.388 834 HA SER 101 HA SER 101 10.488 5.007 -2.048 835 HB2 SER 101 2HB SER 101 8.927 6.798 -2.711 836 HB3 SER 101 1HB SER 101 7.548 5.724 -2.477 837 HG SER 101 HG SER 101 7.751 5.908 -0.347 838 H LEU 102 H LEU 102 7.674 3.034 -2.928 839 HA LEU 102 HA LEU 102 7.402 1.891 -0.275 840 HB2 LEU 102 2HB LEU 102 5.943 1.486 -2.890 841 HB3 LEU 102 1HB LEU 102 5.747 0.322 -1.593 842 HG LEU 102 HG LEU 102 4.881 2.145 -0.107 843 HD11 LEU 102 1HD1 LEU 102 4.918 3.913 -2.554 844 HD12 LEU 102 2HD1 LEU 102 5.937 4.090 -1.124 845 HD13 LEU 102 3HD1 LEU 102 4.192 4.296 -0.991 846 HD21 LEU 102 1HD2 LEU 102 3.316 0.693 -1.299 847 HD22 LEU 102 2HD2 LEU 102 3.324 1.784 -2.686 848 HD23 LEU 102 3HD2 LEU 102 2.657 2.322 -1.142 849 H ASN 103 H ASN 103 8.845 0.912 -3.393 850 HA ASN 103 HA ASN 103 9.591 -1.721 -2.558 851 HB2 ASN 103 2HB ASN 103 9.596 -0.994 -4.949 852 HB3 ASN 103 1HB ASN 103 10.973 0.048 -4.622 853 HD21 ASN 103 1HD2 ASN 103 9.917 -3.260 -5.017 854 HD22 ASN 103 2HD2 ASN 103 11.495 -3.953 -5.137 855 H ASN 104 H ASN 104 11.134 1.461 -2.306 856 HA ASN 104 HA ASN 104 13.579 0.656 -1.096 857 HB2 ASN 104 2HB ASN 104 13.308 2.922 -2.093 858 HB3 ASN 104 1HB ASN 104 12.139 3.339 -0.845 859 HD21 ASN 104 1HD2 ASN 104 15.534 2.636 -1.461 860 HD22 ASN 104 2HD2 ASN 104 16.138 3.359 -0.012 861 H ALA 105 H ALA 105 10.441 1.715 0.148 862 HA ALA 105 HA ALA 105 10.926 1.666 2.889 863 HB1 ALA 105 1HB ALA 105 8.886 2.608 1.899 864 HB2 ALA 105 2HB ALA 105 8.496 1.442 3.162 865 HB3 ALA 105 3HB ALA 105 8.328 0.996 1.460 866 H TYR 106 H TYR 106 10.006 -0.968 0.674 867 HA TYR 106 HA TYR 106 9.470 -2.944 2.649 868 HB2 TYR 106 2HB TYR 106 8.657 -2.974 0.246 869 HB3 TYR 106 1HB TYR 106 10.294 -3.355 -0.275 870 HD1 TYR 106 HD1 TYR 106 11.341 -5.587 0.720 871 HD2 TYR 106 HD2 TYR 106 7.164 -4.743 0.781 872 HE1 TYR 106 HE1 TYR 106 10.875 -7.973 1.031 873 HE2 TYR 106 HE2 TYR 106 6.716 -7.118 1.104 874 HH TYR 106 HH TYR 106 9.063 -9.362 1.958 875 H GLY 107 H GLY 107 12.282 -2.514 0.436 876 HA2 GLY 107 2HA GLY 107 13.762 -4.745 1.395 877 HA3 GLY 107 1HA GLY 107 14.395 -3.440 0.400 878 H ARG 108 H ARG 108 13.810 -1.334 2.189 879 HA ARG 108 HA ARG 108 16.089 -1.512 3.963 880 HB2 ARG 108 2HB ARG 108 14.246 0.690 3.039 881 HB3 ARG 108 1HB ARG 108 15.203 0.951 4.486 882 HG2 ARG 108 2HG ARG 108 16.118 1.793 2.220 883 HG3 ARG 108 1HG ARG 108 17.223 0.993 3.327 884 HD2 ARG 108 2HD ARG 108 17.667 0.279 1.057 885 HD3 ARG 108 1HD ARG 108 17.018 -1.086 1.967 886 HE ARG 108 HE ARG 108 14.919 0.237 0.615 887 HH11 ARG 108 1HH1 ARG 108 17.700 -1.779 -0.120 888 HH12 ARG 108 2HH1 ARG 108 16.997 -2.454 -1.556 889 HH21 ARG 108 1HH2 ARG 108 13.959 -0.778 -1.250 890 HH22 ARG 108 2HH2 ARG 108 14.900 -1.889 -2.183 891 H LEU 109 H LEU 109 12.559 -1.753 4.293 892 HA LEU 109 HA LEU 109 12.462 -1.576 7.147 893 HB2 LEU 109 2HB LEU 109 10.423 -1.527 5.691 894 HB3 LEU 109 1HB LEU 109 10.653 -3.229 5.335 895 HG LEU 109 HG LEU 109 10.323 -3.721 7.800 896 HD11 LEU 109 1HD1 LEU 109 9.532 -0.796 7.979 897 HD12 LEU 109 2HD1 LEU 109 10.933 -1.552 8.742 898 HD13 LEU 109 3HD1 LEU 109 9.308 -2.010 9.243 899 HD21 LEU 109 1HD2 LEU 109 7.885 -3.476 7.752 900 HD22 LEU 109 2HD2 LEU 109 8.500 -4.009 6.190 901 HD23 LEU 109 3HD2 LEU 109 8.011 -2.328 6.414 902 H SER 110 H SER 110 13.075 -4.169 4.885 903 HA SER 110 HA SER 110 13.496 -6.243 6.784 904 HB2 SER 110 2HB SER 110 12.939 -6.651 4.391 905 HB3 SER 110 1HB SER 110 14.497 -5.979 3.913 906 HG SER 110 HG SER 110 13.988 -8.334 5.408 907 H GLY 111 H GLY 111 15.625 -3.723 5.319 908 HA2 GLY 111 2HA GLY 111 18.045 -4.954 6.439 909 HA3 GLY 111 1HA GLY 111 17.961 -3.532 5.428 910 H MET 112 H MET 112 16.945 -1.484 6.638 911 HA MET 112 HA MET 112 18.413 -1.253 9.195 912 HB2 MET 112 2HB MET 112 18.640 0.402 7.146 913 HB3 MET 112 1HB MET 112 17.151 1.110 7.747 914 HG2 MET 112 2HG MET 112 19.754 0.884 9.288 915 HG3 MET 112 1HG MET 112 19.140 2.339 8.514 916 HE1 MET 112 1HE MET 112 16.040 2.419 9.304 917 HE2 MET 112 2HE MET 112 17.125 3.802 9.474 918 HE3 MET 112 3HE MET 112 16.117 3.293 10.831 919 H LEU 113 H LEU 113 15.395 0.050 7.882 920 HA LEU 113 HA LEU 113 13.331 -0.877 9.229 921 HB2 LEU 113 2HB LEU 113 14.797 0.843 11.182 922 HB3 LEU 113 1HB LEU 113 13.113 1.295 11.001 923 HG LEU 113 HG LEU 113 14.143 -1.435 11.885 924 HD11 LEU 113 1HD1 LEU 113 13.080 -0.915 14.029 925 HD12 LEU 113 2HD1 LEU 113 12.629 0.686 13.439 926 HD13 LEU 113 3HD1 LEU 113 14.333 0.261 13.633 927 HD21 LEU 113 1HD2 LEU 113 11.266 -0.526 11.485 928 HD22 LEU 113 2HD2 LEU 113 11.778 -2.057 12.199 929 HD23 LEU 113 3HD2 LEU 113 12.132 -1.716 10.509 930 H LEU 114 H LEU 114 13.380 -0.137 6.969 931 HA LEU 114 HA LEU 114 12.019 0.682 5.416 932 HB2 LEU 114 2HB LEU 114 10.437 1.082 7.319 933 HB3 LEU 114 1HB LEU 114 11.028 2.721 7.427 934 HG LEU 114 HG LEU 114 9.866 1.781 4.804 935 HD11 LEU 114 1HD1 LEU 114 8.149 2.625 7.153 936 HD12 LEU 114 2HD1 LEU 114 8.235 1.009 6.447 937 HD13 LEU 114 3HD1 LEU 114 7.593 2.346 5.499 938 HD21 LEU 114 1HD2 LEU 114 10.849 4.028 4.861 939 HD22 LEU 114 2HD2 LEU 114 9.796 4.484 6.201 940 HD23 LEU 114 3HD2 LEU 114 9.104 4.127 4.616 941 H VAL 115 H VAL 115 14.221 2.776 7.096 942 HA VAL 115 HA VAL 115 14.464 4.530 4.730 943 HB VAL 115 HB VAL 115 15.021 6.438 6.291 944 HG11 VAL 115 1HG1 VAL 115 12.230 5.260 6.584 945 HG12 VAL 115 2HG1 VAL 115 12.803 6.281 5.262 946 HG13 VAL 115 3HG1 VAL 115 12.672 6.941 6.890 947 HG21 VAL 115 1HG2 VAL 115 14.316 6.313 8.673 948 HG22 VAL 115 2HG2 VAL 115 15.622 5.180 8.328 949 HG23 VAL 115 3HG2 VAL 115 13.966 4.590 8.480 950 HA PRO 116 HA PRO 116 18.896 3.553 5.335 951 HB2 PRO 116 2HB PRO 116 19.683 3.898 2.812 952 HB3 PRO 116 1HB PRO 116 18.520 2.602 3.171 953 HG2 PRO 116 2HG PRO 116 18.018 5.299 1.957 954 HG3 PRO 116 1HG PRO 116 17.293 3.730 1.544 955 HD2 PRO 116 2HD PRO 116 16.159 5.692 3.265 956 HD3 PRO 116 1HD PRO 116 15.609 4.013 3.075 957 H ASP 117 H ASP 117 20.967 4.794 4.630 958 HA ASP 117 HA ASP 117 20.666 7.748 4.531 959 HB2 ASP 117 2HB ASP 117 23.166 6.000 4.840 960 HB3 ASP 117 1HB ASP 117 23.179 7.762 4.782 961 H ALA 118 H ALA 118 21.886 4.951 2.830 962 HA ALA 118 HA ALA 118 21.395 6.102 0.222 963 HB1 ALA 118 1HB ALA 118 23.692 5.626 -0.627 964 HB2 ALA 118 2HB ALA 118 24.210 5.210 1.011 965 HB3 ALA 118 3HB ALA 118 23.711 6.858 0.636 966 HA PRO 119 HA PRO 119 20.320 1.724 -0.455 967 HB2 PRO 119 2HB PRO 119 20.791 1.587 -3.216 968 HB3 PRO 119 1HB PRO 119 19.309 2.234 -2.483 969 HG2 PRO 119 2HG PRO 119 21.713 3.727 -3.484 970 HG3 PRO 119 1HG PRO 119 19.987 4.098 -3.706 971 HD2 PRO 119 2HD PRO 119 21.436 5.416 -1.877 972 HD3 PRO 119 1HD PRO 119 19.756 4.951 -1.527 973 H GLY 120 H GLY 120 21.458 -0.165 -0.357 974 HA2 GLY 120 2HA GLY 120 24.273 -0.055 0.076 975 HA3 GLY 120 1HA GLY 120 23.263 -1.485 0.151 976 H ALA 121 H ALA 121 25.950 -0.649 -1.159 977 HA ALA 121 HA ALA 121 25.499 -1.738 -3.888 978 HB1 ALA 121 1HB ALA 121 27.666 -0.692 -4.469 979 HB2 ALA 121 2HB ALA 121 27.832 -0.086 -2.818 980 HB3 ALA 121 3HB ALA 121 26.528 0.500 -3.850 981 H SER 122 H SER 122 27.576 -2.896 -4.673 982 HA SER 122 HA SER 122 29.197 -4.265 -2.705 983 HB2 SER 122 2HB SER 122 27.287 -5.800 -2.742 984 HB3 SER 122 1HB SER 122 27.282 -5.839 -4.505 985 HG SER 122 HG SER 122 29.377 -6.810 -4.381 Start of MODEL 20 1 H1 MET 1 1H MET 1 1.094 3.365 22.099 2 H2 MET 1 2H MET 1 2.224 2.133 22.333 3 H3 MET 1 3H MET 1 0.723 1.784 21.650 4 HA MET 1 HA MET 1 2.757 3.540 20.442 5 HB2 MET 1 2HB MET 1 3.240 1.707 18.864 6 HB3 MET 1 1HB MET 1 3.539 1.189 20.513 7 HG2 MET 1 2HG MET 1 1.522 -0.155 20.518 8 HG3 MET 1 1HG MET 1 1.034 0.496 18.953 9 HE1 MET 1 1HE MET 1 0.898 -2.542 19.035 10 HE2 MET 1 2HE MET 1 1.895 -3.038 17.666 11 HE3 MET 1 3HE MET 1 0.813 -1.653 17.508 12 H THR 2 H THR 2 0.406 4.716 20.652 13 HA THR 2 HA THR 2 -1.691 4.075 18.920 14 HB THR 2 HB THR 2 -1.992 5.728 20.700 15 HG1 THR 2 HG1 THR 2 -2.440 7.256 18.376 16 HG21 THR 2 1HG2 THR 2 -1.147 8.027 20.553 17 HG22 THR 2 2HG2 THR 2 -0.270 7.634 19.074 18 HG23 THR 2 3HG2 THR 2 0.198 6.882 20.601 19 H SER 3 H SER 3 1.262 5.916 18.323 20 HA SER 3 HA SER 3 0.905 6.892 15.751 21 HB2 SER 3 2HB SER 3 3.467 5.700 16.915 22 HB3 SER 3 1HB SER 3 3.364 6.885 15.605 23 HG SER 3 HG SER 3 3.829 7.888 17.585 24 H THR 4 H THR 4 2.151 3.721 16.788 25 HA THR 4 HA THR 4 2.618 2.677 14.198 26 HB THR 4 HB THR 4 2.263 1.109 16.792 27 HG1 THR 4 HG1 THR 4 4.818 1.407 16.169 28 HG21 THR 4 1HG2 THR 4 2.262 -0.339 14.791 29 HG22 THR 4 2HG2 THR 4 3.757 -0.549 15.705 30 HG23 THR 4 3HG2 THR 4 3.755 0.418 14.229 31 H VAL 5 H VAL 5 -0.145 2.437 16.446 32 HA VAL 5 HA VAL 5 -1.506 0.316 15.175 33 HB VAL 5 HB VAL 5 -2.686 2.565 16.874 34 HG11 VAL 5 1HG1 VAL 5 -4.583 1.018 17.296 35 HG12 VAL 5 2HG1 VAL 5 -3.891 -0.138 16.154 36 HG13 VAL 5 3HG1 VAL 5 -4.451 1.435 15.585 37 HG21 VAL 5 1HG2 VAL 5 -0.939 1.300 18.076 38 HG22 VAL 5 2HG2 VAL 5 -1.753 -0.217 17.698 39 HG23 VAL 5 3HG2 VAL 5 -2.530 0.961 18.760 40 H GLU 6 H GLU 6 -1.872 3.869 14.886 41 HA GLU 6 HA GLU 6 -3.776 3.880 12.804 42 HB2 GLU 6 2HB GLU 6 -1.614 5.959 13.363 43 HB3 GLU 6 1HB GLU 6 -3.040 6.206 12.357 44 HG2 GLU 6 2HG GLU 6 -2.941 5.796 15.357 45 HG3 GLU 6 1HG GLU 6 -3.438 7.244 14.485 46 H PHE 7 H PHE 7 -0.217 3.949 12.739 47 HA PHE 7 HA PHE 7 0.289 4.332 10.037 48 HB2 PHE 7 2HB PHE 7 1.924 4.387 11.990 49 HB3 PHE 7 1HB PHE 7 1.958 2.636 11.946 50 HD1 PHE 7 HD1 PHE 7 2.564 5.611 9.727 51 HD2 PHE 7 HD2 PHE 7 3.707 1.599 10.721 52 HE1 PHE 7 HE1 PHE 7 4.484 5.774 8.197 53 HE2 PHE 7 HE2 PHE 7 5.619 1.772 9.179 54 HZ PHE 7 HZ PHE 7 6.011 3.858 7.921 55 H ILE 8 H ILE 8 -0.032 1.199 11.786 56 HA ILE 8 HA ILE 8 0.387 -0.525 9.577 57 HB ILE 8 HB ILE 8 -1.241 -1.133 12.092 58 HG12 ILE 8 2HG1 ILE 8 1.710 -1.712 11.588 59 HG13 ILE 8 1HG1 ILE 8 1.092 -0.445 12.638 60 HG21 ILE 8 1HG2 ILE 8 0.040 -3.068 10.117 61 HG22 ILE 8 2HG2 ILE 8 -1.688 -2.752 10.283 62 HG23 ILE 8 3HG2 ILE 8 -0.806 -3.522 11.600 63 HD11 ILE 8 1HD1 ILE 8 0.021 -2.184 14.046 64 HD12 ILE 8 2HD1 ILE 8 1.777 -2.311 13.964 65 HD13 ILE 8 3HD1 ILE 8 0.777 -3.417 13.025 66 H ASN 9 H ASN 9 -2.610 0.757 11.136 67 HA ASN 9 HA ASN 9 -4.444 -0.717 9.558 68 HB2 ASN 9 2HB ASN 9 -5.007 0.420 11.722 69 HB3 ASN 9 1HB ASN 9 -4.922 1.974 10.904 70 HD21 ASN 9 1HD2 ASN 9 -6.348 -0.961 9.485 71 HD22 ASN 9 2HD2 ASN 9 -7.970 -0.378 9.490 72 H ARG 10 H ARG 10 -2.765 2.286 8.963 73 HA ARG 10 HA ARG 10 -4.186 3.089 6.610 74 HB2 ARG 10 2HB ARG 10 -1.412 3.810 7.635 75 HB3 ARG 10 1HB ARG 10 -2.196 4.593 6.265 76 HG2 ARG 10 2HG ARG 10 -3.888 5.554 7.657 77 HG3 ARG 10 1HG ARG 10 -3.415 4.559 9.035 78 HD2 ARG 10 2HD ARG 10 -1.197 5.756 9.045 79 HD3 ARG 10 1HD ARG 10 -1.834 6.837 7.798 80 HE ARG 10 HE ARG 10 -3.638 6.838 9.934 81 HH11 ARG 10 1HH1 ARG 10 -0.327 7.903 9.348 82 HH12 ARG 10 2HH1 ARG 10 -0.407 9.158 10.538 83 HH21 ARG 10 1HH2 ARG 10 -3.698 8.499 11.508 84 HH22 ARG 10 2HH2 ARG 10 -2.300 9.497 11.753 85 H TRP 11 H TRP 11 -1.176 1.228 7.212 86 HA TRP 11 HA TRP 11 -0.579 0.643 4.496 87 HB2 TRP 11 2HB TRP 11 0.196 -0.733 7.091 88 HB3 TRP 11 1HB TRP 11 0.677 -1.400 5.532 89 HD1 TRP 11 HD1 TRP 11 1.825 1.028 8.082 90 HE1 TRP 11 HE1 TRP 11 3.807 2.373 7.182 91 HE3 TRP 11 HE3 TRP 11 1.525 -0.211 3.132 92 HZ2 TRP 11 HZ2 TRP 11 5.104 2.861 4.752 93 HZ3 TRP 11 HZ3 TRP 11 3.178 0.746 1.581 94 HH2 TRP 11 HH2 TRP 11 4.933 2.255 2.378 95 H GLN 12 H GLN 12 -2.803 -0.845 6.794 96 HA GLN 12 HA GLN 12 -3.442 -3.167 5.288 97 HB2 GLN 12 2HB GLN 12 -5.324 -1.641 7.162 98 HB3 GLN 12 1HB GLN 12 -5.529 -3.294 6.582 99 HG2 GLN 12 2HG GLN 12 -3.358 -3.841 7.806 100 HG3 GLN 12 1HG GLN 12 -3.489 -2.254 8.557 101 HE21 GLN 12 1HE2 GLN 12 -4.704 -5.496 8.466 102 HE22 GLN 12 2HE2 GLN 12 -5.771 -5.358 9.820 103 H ARG 13 H ARG 13 -4.774 0.134 5.481 104 HA ARG 13 HA ARG 13 -6.850 -0.140 3.635 105 HB2 ARG 13 2HB ARG 13 -6.555 1.791 5.215 106 HB3 ARG 13 1HB ARG 13 -5.262 2.401 4.184 107 HG2 ARG 13 2HG ARG 13 -6.883 2.630 2.309 108 HG3 ARG 13 1HG ARG 13 -8.166 2.034 3.363 109 HD2 ARG 13 2HD ARG 13 -7.679 4.002 4.888 110 HD3 ARG 13 1HD ARG 13 -6.617 4.623 3.620 111 HE ARG 13 HE ARG 13 -9.307 4.031 2.727 112 HH11 ARG 13 1HH1 ARG 13 -7.232 6.504 4.104 113 HH12 ARG 13 2HH1 ARG 13 -8.250 7.819 3.609 114 HH21 ARG 13 1HH2 ARG 13 -10.678 5.780 2.138 115 HH22 ARG 13 2HH2 ARG 13 -10.191 7.406 2.501 116 H ILE 14 H ILE 14 -3.417 0.749 3.068 117 HA ILE 14 HA ILE 14 -3.632 1.352 0.295 118 HB ILE 14 HB ILE 14 -1.206 0.329 1.858 119 HG12 ILE 14 2HG1 ILE 14 -1.908 3.215 1.129 120 HG13 ILE 14 1HG1 ILE 14 -2.231 2.493 2.698 121 HG21 ILE 14 1HG2 ILE 14 0.191 1.298 0.055 122 HG22 ILE 14 2HG2 ILE 14 -1.263 1.705 -0.857 123 HG23 ILE 14 3HG2 ILE 14 -0.854 0.014 -0.559 124 HD11 ILE 14 1HD1 ILE 14 0.503 2.892 1.482 125 HD12 ILE 14 2HD1 ILE 14 0.161 2.181 3.063 126 HD13 ILE 14 3HD1 ILE 14 -0.239 3.867 2.750 127 H ALA 15 H ALA 15 -2.651 -1.601 2.020 128 HA ALA 15 HA ALA 15 -2.181 -3.364 -0.095 129 HB1 ALA 15 1HB ALA 15 -2.470 -5.140 1.605 130 HB2 ALA 15 2HB ALA 15 -3.243 -3.983 2.694 131 HB3 ALA 15 3HB ALA 15 -1.547 -3.788 2.263 132 H LEU 16 H LEU 16 -5.143 -2.641 1.648 133 HA LEU 16 HA LEU 16 -6.714 -4.749 0.434 134 HB2 LEU 16 2HB LEU 16 -7.442 -2.561 2.422 135 HB3 LEU 16 1HB LEU 16 -8.602 -3.745 1.835 136 HG LEU 16 HG LEU 16 -6.110 -4.359 3.479 137 HD11 LEU 16 1HD1 LEU 16 -7.848 -3.267 4.804 138 HD12 LEU 16 2HD1 LEU 16 -7.661 -4.953 5.282 139 HD13 LEU 16 3HD1 LEU 16 -9.033 -4.469 4.279 140 HD21 LEU 16 1HD2 LEU 16 -6.944 -6.669 3.593 141 HD22 LEU 16 2HD2 LEU 16 -6.572 -6.194 1.940 142 HD23 LEU 16 3HD2 LEU 16 -8.252 -6.262 2.479 143 H LEU 17 H LEU 17 -6.414 -1.220 0.089 144 HA LEU 17 HA LEU 17 -8.691 -0.866 -1.591 145 HB2 LEU 17 2HB LEU 17 -6.265 0.883 -1.085 146 HB3 LEU 17 1HB LEU 17 -7.380 1.288 -2.379 147 HG LEU 17 HG LEU 17 -8.035 1.163 0.592 148 HD11 LEU 17 1HD1 LEU 17 -8.430 3.569 0.387 149 HD12 LEU 17 2HD1 LEU 17 -7.966 3.520 -1.318 150 HD13 LEU 17 3HD1 LEU 17 -6.775 3.160 -0.065 151 HD21 LEU 17 1HD2 LEU 17 -9.903 1.752 -1.734 152 HD22 LEU 17 2HD2 LEU 17 -10.296 1.926 -0.021 153 HD23 LEU 17 3HD2 LEU 17 -9.951 0.333 -0.683 154 H SER 18 H SER 18 -5.189 -1.243 -2.299 155 HA SER 18 HA SER 18 -5.409 -1.229 -5.119 156 HB2 SER 18 2HB SER 18 -3.167 -2.284 -5.093 157 HB3 SER 18 1HB SER 18 -3.262 -0.948 -3.940 158 HG SER 18 HG SER 18 -3.636 -2.514 -2.298 159 H GLN 19 H GLN 19 -5.565 -3.888 -2.739 160 HA GLN 19 HA GLN 19 -5.893 -6.089 -4.423 161 HB2 GLN 19 2HB GLN 19 -5.598 -6.343 -2.008 162 HB3 GLN 19 1HB GLN 19 -7.106 -5.502 -1.689 163 HG2 GLN 19 2HG GLN 19 -7.363 -7.905 -1.327 164 HG3 GLN 19 1HG GLN 19 -8.376 -7.374 -2.667 165 HE21 GLN 19 1HE2 GLN 19 -5.553 -9.204 -1.763 166 HE22 GLN 19 2HE2 GLN 19 -5.363 -10.051 -3.256 167 H SER 20 H SER 20 -8.326 -3.821 -3.136 168 HA SER 20 HA SER 20 -10.593 -5.003 -4.354 169 HB2 SER 20 2HB SER 20 -10.175 -2.147 -3.364 170 HB3 SER 20 1HB SER 20 -11.736 -2.840 -3.819 171 HG SER 20 HG SER 20 -10.065 -4.010 -1.853 172 H LEU 21 H LEU 21 -8.368 -2.423 -5.402 173 HA LEU 21 HA LEU 21 -9.811 -1.524 -7.655 174 HB2 LEU 21 2HB LEU 21 -6.807 -1.383 -7.140 175 HB3 LEU 21 1HB LEU 21 -7.650 -0.504 -8.405 176 HG LEU 21 HG LEU 21 -7.941 -0.069 -5.413 177 HD11 LEU 21 1HD1 LEU 21 -6.918 2.113 -5.813 178 HD12 LEU 21 2HD1 LEU 21 -6.714 1.718 -7.523 179 HD13 LEU 21 3HD1 LEU 21 -5.845 0.798 -6.292 180 HD21 LEU 21 1HD2 LEU 21 -9.398 1.826 -5.941 181 HD22 LEU 21 2HD2 LEU 21 -10.101 0.304 -6.475 182 HD23 LEU 21 3HD2 LEU 21 -9.362 1.392 -7.653 183 H LEU 22 H LEU 22 -7.452 -4.090 -7.139 184 HA LEU 22 HA LEU 22 -7.051 -4.870 -9.837 185 HB2 LEU 22 2HB LEU 22 -5.508 -5.521 -8.027 186 HB3 LEU 22 1HB LEU 22 -6.776 -6.462 -7.258 187 HG LEU 22 HG LEU 22 -6.797 -8.028 -9.204 188 HD11 LEU 22 1HD1 LEU 22 -4.471 -6.397 -10.259 189 HD12 LEU 22 2HD1 LEU 22 -6.084 -6.508 -10.970 190 HD13 LEU 22 3HD1 LEU 22 -5.050 -7.932 -10.918 191 HD21 LEU 22 1HD2 LEU 22 -4.044 -7.680 -7.973 192 HD22 LEU 22 2HD2 LEU 22 -4.667 -9.146 -8.739 193 HD23 LEU 22 3HD2 LEU 22 -5.403 -8.551 -7.254 194 H GLU 23 H GLU 23 -9.085 -6.258 -7.247 195 HA GLU 23 HA GLU 23 -10.470 -8.233 -8.580 196 HB2 GLU 23 2HB GLU 23 -11.408 -6.346 -6.379 197 HB3 GLU 23 1HB GLU 23 -12.312 -7.777 -6.865 198 HG2 GLU 23 2HG GLU 23 -9.448 -7.939 -5.883 199 HG3 GLU 23 1HG GLU 23 -10.820 -7.939 -4.778 200 H LEU 24 H LEU 24 -11.372 -4.834 -8.242 201 HA LEU 24 HA LEU 24 -13.887 -5.012 -9.555 202 HB2 LEU 24 2HB LEU 24 -12.196 -2.608 -8.778 203 HB3 LEU 24 1HB LEU 24 -13.870 -2.516 -9.310 204 HG LEU 24 HG LEU 24 -12.966 -4.013 -6.819 205 HD11 LEU 24 1HD1 LEU 24 -13.834 -2.147 -5.496 206 HD12 LEU 24 2HD1 LEU 24 -14.134 -1.232 -6.971 207 HD13 LEU 24 3HD1 LEU 24 -12.485 -1.657 -6.517 208 HD21 LEU 24 1HD2 LEU 24 -15.745 -3.240 -7.747 209 HD22 LEU 24 2HD2 LEU 24 -15.343 -4.016 -6.212 210 HD23 LEU 24 3HD2 LEU 24 -15.056 -4.867 -7.726 211 H ALA 25 H ALA 25 -10.616 -4.002 -10.564 212 HA ALA 25 HA ALA 25 -11.201 -3.039 -13.148 213 HB1 ALA 25 1HB ALA 25 -8.851 -3.533 -13.687 214 HB2 ALA 25 2HB ALA 25 -8.717 -4.537 -12.238 215 HB3 ALA 25 3HB ALA 25 -8.977 -2.798 -12.085 216 H GLN 26 H GLN 26 -10.515 -6.317 -11.967 217 HA GLN 26 HA GLN 26 -10.684 -7.662 -14.481 218 HB2 GLN 26 2HB GLN 26 -10.984 -8.756 -11.645 219 HB3 GLN 26 1HB GLN 26 -10.754 -9.740 -13.090 220 HG2 GLN 26 2HG GLN 26 -8.535 -8.776 -13.439 221 HG3 GLN 26 1HG GLN 26 -8.757 -7.695 -12.065 222 HE21 GLN 26 1HE2 GLN 26 -6.666 -9.661 -12.496 223 HE22 GLN 26 2HE2 GLN 26 -6.742 -10.750 -11.159 224 H ARG 27 H ARG 27 -13.054 -6.782 -12.035 225 HA ARG 27 HA ARG 27 -15.189 -8.420 -13.189 226 HB2 ARG 27 2HB ARG 27 -15.156 -6.575 -10.753 227 HB3 ARG 27 1HB ARG 27 -16.522 -7.588 -11.231 228 HG2 ARG 27 2HG ARG 27 -15.198 -9.612 -10.882 229 HG3 ARG 27 1HG ARG 27 -13.765 -8.651 -10.531 230 HD2 ARG 27 2HD ARG 27 -14.968 -7.729 -8.510 231 HD3 ARG 27 1HD ARG 27 -16.279 -8.878 -8.839 232 HE ARG 27 HE ARG 27 -13.609 -10.011 -8.654 233 HH11 ARG 27 1HH1 ARG 27 -16.587 -9.378 -6.882 234 HH12 ARG 27 2HH1 ARG 27 -16.237 -10.558 -5.662 235 HH21 ARG 27 1HH2 ARG 27 -13.160 -11.518 -7.064 236 HH22 ARG 27 2HH2 ARG 27 -14.283 -11.775 -5.771 237 H GLY 28 H GLY 28 -13.935 -5.395 -13.902 238 HA2 GLY 28 2HA GLY 28 -14.646 -4.008 -15.622 239 HA3 GLY 28 1HA GLY 28 -16.227 -4.765 -15.596 240 H GLU 29 H GLU 29 -15.267 -3.800 -12.529 241 HA GLU 29 HA GLU 29 -17.075 -1.511 -12.439 242 HB2 GLU 29 2HB GLU 29 -15.507 -2.932 -10.245 243 HB3 GLU 29 1HB GLU 29 -16.745 -1.711 -9.984 244 HG2 GLU 29 2HG GLU 29 -17.275 -4.367 -11.339 245 HG3 GLU 29 1HG GLU 29 -17.450 -4.105 -9.604 246 H TRP 30 H TRP 30 -15.098 -0.688 -13.983 247 HA TRP 30 HA TRP 30 -12.754 0.401 -12.835 248 HB2 TRP 30 2HB TRP 30 -14.263 1.330 -15.321 249 HB3 TRP 30 1HB TRP 30 -12.602 1.763 -14.913 250 HD1 TRP 30 HD1 TRP 30 -14.668 -1.080 -16.399 251 HE1 TRP 30 HE1 TRP 30 -13.084 -2.903 -17.281 252 HE3 TRP 30 HE3 TRP 30 -10.253 0.687 -14.499 253 HZ2 TRP 30 HZ2 TRP 30 -10.333 -3.510 -17.196 254 HZ3 TRP 30 HZ3 TRP 30 -8.189 -0.579 -14.943 255 HH2 TRP 30 HH2 TRP 30 -8.231 -2.635 -16.262 256 H ASP 31 H ASP 31 -16.008 1.485 -12.898 257 HA ASP 31 HA ASP 31 -15.915 4.210 -12.366 258 HB2 ASP 31 2HB ASP 31 -17.858 2.250 -11.049 259 HB3 ASP 31 1HB ASP 31 -18.155 3.939 -11.454 260 H LEU 32 H LEU 32 -15.777 1.440 -10.176 261 HA LEU 32 HA LEU 32 -15.597 2.933 -7.750 262 HB2 LEU 32 2HB LEU 32 -14.998 -0.003 -8.278 263 HB3 LEU 32 1HB LEU 32 -15.210 0.728 -6.694 264 HG LEU 32 HG LEU 32 -17.371 0.431 -8.826 265 HD11 LEU 32 1HD1 LEU 32 -16.782 -1.695 -7.770 266 HD12 LEU 32 2HD1 LEU 32 -18.400 -1.181 -7.300 267 HD13 LEU 32 3HD1 LEU 32 -17.053 -0.998 -6.170 268 HD21 LEU 32 1HD2 LEU 32 -18.949 1.256 -7.123 269 HD22 LEU 32 2HD2 LEU 32 -17.750 2.475 -7.543 270 HD23 LEU 32 3HD2 LEU 32 -17.605 1.585 -6.025 271 H LEU 33 H LEU 33 -13.234 1.677 -10.063 272 HA LEU 33 HA LEU 33 -10.910 2.018 -8.453 273 HB2 LEU 33 2HB LEU 33 -11.301 1.926 -11.456 274 HB3 LEU 33 1HB LEU 33 -9.759 2.449 -10.804 275 HG LEU 33 HG LEU 33 -9.693 0.220 -9.518 276 HD11 LEU 33 1HD1 LEU 33 -11.866 -0.530 -11.474 277 HD12 LEU 33 2HD1 LEU 33 -12.031 -0.391 -9.722 278 HD13 LEU 33 3HD1 LEU 33 -10.990 -1.637 -10.409 279 HD21 LEU 33 1HD2 LEU 33 -9.521 0.125 -12.544 280 HD22 LEU 33 2HD2 LEU 33 -8.776 -1.020 -11.424 281 HD23 LEU 33 3HD2 LEU 33 -8.251 0.663 -11.442 282 H LEU 34 H LEU 34 -12.659 4.190 -10.666 283 HA LEU 34 HA LEU 34 -10.905 6.409 -10.465 284 HB2 LEU 34 2HB LEU 34 -13.872 6.374 -11.128 285 HB3 LEU 34 1HB LEU 34 -12.788 7.727 -11.425 286 HG LEU 34 HG LEU 34 -12.617 4.994 -12.755 287 HD11 LEU 34 1HD1 LEU 34 -14.538 6.275 -13.546 288 HD12 LEU 34 2HD1 LEU 34 -13.312 6.129 -14.801 289 HD13 LEU 34 3HD1 LEU 34 -13.493 7.650 -13.920 290 HD21 LEU 34 1HD2 LEU 34 -10.880 5.986 -14.187 291 HD22 LEU 34 2HD2 LEU 34 -10.389 5.954 -12.498 292 HD23 LEU 34 3HD2 LEU 34 -10.926 7.470 -13.230 293 H GLN 35 H GLN 35 -13.779 5.494 -8.589 294 HA GLN 35 HA GLN 35 -13.925 7.904 -7.039 295 HB2 GLN 35 2HB GLN 35 -15.060 5.133 -6.479 296 HB3 GLN 35 1HB GLN 35 -15.505 6.603 -5.610 297 HG2 GLN 35 2HG GLN 35 -16.470 7.565 -7.625 298 HG3 GLN 35 1HG GLN 35 -15.901 6.208 -8.593 299 HE21 GLN 35 1HE2 GLN 35 -18.613 7.170 -8.333 300 HE22 GLN 35 2HE2 GLN 35 -19.546 5.857 -7.706 301 H GLN 36 H GLN 36 -12.635 4.630 -6.315 302 HA GLN 36 HA GLN 36 -11.566 5.369 -3.753 303 HB2 GLN 36 2HB GLN 36 -11.136 2.885 -5.461 304 HB3 GLN 36 1HB GLN 36 -10.429 3.095 -3.862 305 HG2 GLN 36 2HG GLN 36 -13.393 3.019 -4.500 306 HG3 GLN 36 1HG GLN 36 -12.454 1.719 -3.767 307 HE21 GLN 36 1HE2 GLN 36 -14.798 3.108 -2.711 308 HE22 GLN 36 2HE2 GLN 36 -14.324 3.787 -1.196 309 H GLU 37 H GLU 37 -10.396 5.790 -6.948 310 HA GLU 37 HA GLU 37 -7.648 5.665 -6.801 311 HB2 GLU 37 2HB GLU 37 -8.841 6.194 -8.883 312 HB3 GLU 37 1HB GLU 37 -9.358 7.745 -8.230 313 HG2 GLU 37 2HG GLU 37 -7.003 8.504 -8.175 314 HG3 GLU 37 1HG GLU 37 -6.491 6.950 -8.830 315 H VAL 38 H VAL 38 -9.703 8.472 -5.949 316 HA VAL 38 HA VAL 38 -7.704 10.272 -5.193 317 HB VAL 38 HB VAL 38 -10.546 10.098 -4.066 318 HG11 VAL 38 1HG1 VAL 38 -8.604 12.445 -4.081 319 HG12 VAL 38 2HG1 VAL 38 -9.140 11.543 -2.662 320 HG13 VAL 38 3HG1 VAL 38 -10.294 12.524 -3.567 321 HG21 VAL 38 1HG2 VAL 38 -10.557 10.264 -6.525 322 HG22 VAL 38 2HG2 VAL 38 -9.502 11.678 -6.452 323 HG23 VAL 38 3HG2 VAL 38 -11.142 11.766 -5.803 324 H SER 39 H SER 39 -9.535 7.944 -3.233 325 HA SER 39 HA SER 39 -8.416 8.625 -0.721 326 HB2 SER 39 2HB SER 39 -9.783 6.041 -1.585 327 HB3 SER 39 1HB SER 39 -9.527 6.578 0.082 328 HG SER 39 HG SER 39 -10.716 8.557 -0.707 329 H TYR 40 H TYR 40 -7.496 6.284 -3.204 330 HA TYR 40 HA TYR 40 -5.682 4.768 -1.602 331 HB2 TYR 40 2HB TYR 40 -6.727 3.759 -3.565 332 HB3 TYR 40 1HB TYR 40 -6.029 4.979 -4.624 333 HD1 TYR 40 HD1 TYR 40 -4.726 2.560 -2.022 334 HD2 TYR 40 HD2 TYR 40 -4.304 4.143 -5.974 335 HE1 TYR 40 HE1 TYR 40 -2.822 1.058 -2.422 336 HE2 TYR 40 HE2 TYR 40 -2.402 2.650 -6.371 337 HH TYR 40 HH TYR 40 -0.859 1.313 -5.325 338 H LEU 41 H LEU 41 -5.246 7.338 -4.067 339 HA LEU 41 HA LEU 41 -2.397 7.355 -3.956 340 HB2 LEU 41 2HB LEU 41 -4.176 9.624 -4.942 341 HB3 LEU 41 1HB LEU 41 -2.484 9.366 -5.338 342 HG LEU 41 HG LEU 41 -4.895 7.812 -6.324 343 HD11 LEU 41 1HD1 LEU 41 -2.734 9.288 -7.847 344 HD12 LEU 41 2HD1 LEU 41 -4.380 9.854 -7.550 345 HD13 LEU 41 3HD1 LEU 41 -4.110 8.429 -8.548 346 HD21 LEU 41 1HD2 LEU 41 -3.255 6.115 -5.769 347 HD22 LEU 41 2HD2 LEU 41 -2.006 6.971 -6.668 348 HD23 LEU 41 3HD2 LEU 41 -3.385 6.274 -7.518 349 H GLN 42 H GLN 42 -4.930 9.360 -2.453 350 HA GLN 42 HA GLN 42 -3.375 11.225 -1.069 351 HB2 GLN 42 2HB GLN 42 -5.764 11.546 -1.176 352 HB3 GLN 42 1HB GLN 42 -6.079 9.990 -0.420 353 HG2 GLN 42 2HG GLN 42 -5.097 10.861 1.703 354 HG3 GLN 42 1HG GLN 42 -4.890 12.433 0.934 355 HE21 GLN 42 1HE2 GLN 42 -6.511 11.507 3.266 356 HE22 GLN 42 2HE2 GLN 42 -8.119 12.061 2.943 357 H SER 43 H SER 43 -4.688 8.106 0.134 358 HA SER 43 HA SER 43 -3.572 8.191 2.688 359 HB2 SER 43 2HB SER 43 -4.343 5.765 1.012 360 HB3 SER 43 1HB SER 43 -3.928 5.696 2.729 361 HG SER 43 HG SER 43 -6.255 6.459 1.552 362 H ILE 44 H ILE 44 -2.344 6.485 -0.232 363 HA ILE 44 HA ILE 44 -0.160 5.296 1.049 364 HB ILE 44 HB ILE 44 -1.089 4.509 -1.142 365 HG12 ILE 44 2HG1 ILE 44 1.923 5.002 -1.154 366 HG13 ILE 44 1HG1 ILE 44 1.105 3.695 -0.303 367 HG21 ILE 44 1HG2 ILE 44 0.483 6.782 -2.401 368 HG22 ILE 44 2HG2 ILE 44 -1.273 6.677 -2.312 369 HG23 ILE 44 3HG2 ILE 44 -0.374 5.496 -3.264 370 HD11 ILE 44 1HD1 ILE 44 1.199 4.063 -3.298 371 HD12 ILE 44 2HD1 ILE 44 0.374 2.759 -2.438 372 HD13 ILE 44 3HD1 ILE 44 2.126 2.908 -2.342 373 H GLU 45 H GLU 45 -0.359 8.404 -0.747 374 HA GLU 45 HA GLU 45 2.386 9.055 -0.547 375 HB2 GLU 45 2HB GLU 45 -0.100 10.668 -1.095 376 HB3 GLU 45 1HB GLU 45 1.378 11.538 -0.702 377 HG2 GLU 45 2HG GLU 45 0.949 9.628 -3.007 378 HG3 GLU 45 1HG GLU 45 1.160 11.377 -3.096 379 H THR 46 H THR 46 -0.362 9.861 1.603 380 HA THR 46 HA THR 46 1.137 11.495 3.375 381 HB THR 46 HB THR 46 -1.448 10.018 4.059 382 HG1 THR 46 HG1 THR 46 -2.330 11.275 2.620 383 HG21 THR 46 1HG2 THR 46 -1.862 11.906 5.603 384 HG22 THR 46 2HG2 THR 46 -0.327 12.642 5.143 385 HG23 THR 46 3HG2 THR 46 -0.337 11.112 6.023 386 H VAL 47 H VAL 47 0.724 8.006 3.201 387 HA VAL 47 HA VAL 47 1.641 7.472 5.908 388 HB VAL 47 HB VAL 47 1.201 5.522 3.597 389 HG11 VAL 47 1HG1 VAL 47 1.154 3.749 5.331 390 HG12 VAL 47 2HG1 VAL 47 1.565 4.943 6.565 391 HG13 VAL 47 3HG1 VAL 47 2.719 4.562 5.287 392 HG21 VAL 47 1HG2 VAL 47 -0.629 6.165 5.939 393 HG22 VAL 47 2HG2 VAL 47 -0.948 4.996 4.654 394 HG23 VAL 47 3HG2 VAL 47 -0.865 6.716 4.284 395 H MET 48 H MET 48 3.019 7.307 2.617 396 HA MET 48 HA MET 48 5.660 6.521 3.456 397 HB2 MET 48 2HB MET 48 4.753 7.865 0.866 398 HB3 MET 48 1HB MET 48 6.351 7.178 1.137 399 HG2 MET 48 2HG MET 48 5.323 4.940 1.408 400 HG3 MET 48 1HG MET 48 3.739 5.642 1.081 401 HE1 MET 48 1HE MET 48 3.083 6.732 -1.335 402 HE2 MET 48 2HE MET 48 4.185 6.752 -2.711 403 HE3 MET 48 3HE MET 48 4.509 7.774 -1.310 404 H GLU 49 H GLU 49 3.923 9.509 3.337 405 HA GLU 49 HA GLU 49 6.241 11.243 3.743 406 HB2 GLU 49 2HB GLU 49 4.274 11.997 2.400 407 HB3 GLU 49 1HB GLU 49 3.244 11.839 3.812 408 HG2 GLU 49 2HG GLU 49 3.791 14.184 3.395 409 HG3 GLU 49 1HG GLU 49 4.472 13.651 4.935 410 H LYS 50 H LYS 50 4.065 9.357 5.631 411 HA LYS 50 HA LYS 50 4.224 10.917 8.057 412 HB2 LYS 50 2HB LYS 50 2.275 9.361 7.441 413 HB3 LYS 50 1HB LYS 50 3.324 8.007 7.835 414 HG2 LYS 50 2HG LYS 50 1.839 8.524 9.718 415 HG3 LYS 50 1HG LYS 50 3.520 8.837 10.165 416 HD2 LYS 50 2HD LYS 50 2.060 10.634 10.995 417 HD3 LYS 50 1HD LYS 50 3.175 11.266 9.785 418 HE2 LYS 50 2HE LYS 50 1.333 11.121 8.086 419 HE3 LYS 50 1HE LYS 50 0.234 10.593 9.365 420 HZ1 LYS 50 1HZ LYS 50 1.674 13.191 9.290 421 HZ2 LYS 50 2HZ LYS 50 0.599 12.684 10.497 422 HZ3 LYS 50 3HZ LYS 50 0.038 12.958 8.931 423 H GLN 51 H GLN 51 5.521 10.555 9.777 424 HA GLN 51 HA GLN 51 8.093 9.442 9.307 425 HB2 GLN 51 2HB GLN 51 7.647 11.448 10.737 426 HB3 GLN 51 1HB GLN 51 6.855 10.418 11.926 427 HG2 GLN 51 2HG GLN 51 8.958 9.246 12.342 428 HG3 GLN 51 1HG GLN 51 9.761 10.184 11.087 429 HE21 GLN 51 1HE2 GLN 51 8.461 12.730 11.910 430 HE22 GLN 51 2HE2 GLN 51 9.251 13.185 13.378 431 H THR 52 H THR 52 8.731 7.404 9.599 432 HA THR 52 HA THR 52 7.103 5.273 10.391 433 HB THR 52 HB THR 52 10.157 5.356 10.327 434 HG1 THR 52 HG1 THR 52 9.714 4.460 8.137 435 HG21 THR 52 1HG2 THR 52 9.257 3.308 11.398 436 HG22 THR 52 2HG2 THR 52 10.020 2.951 9.849 437 HG23 THR 52 3HG2 THR 52 8.261 3.004 9.970 438 HA PRO 53 HA PRO 53 7.519 5.815 14.946 439 HB2 PRO 53 2HB PRO 53 6.041 3.597 15.675 440 HB3 PRO 53 1HB PRO 53 5.294 5.112 15.125 441 HG2 PRO 53 2HG PRO 53 5.846 2.611 13.544 442 HG3 PRO 53 1HG PRO 53 4.365 3.600 13.602 443 HD2 PRO 53 2HD PRO 53 6.127 3.859 11.585 444 HD3 PRO 53 1HD PRO 53 5.254 5.268 12.231 445 HA PRO 54 HA PRO 54 10.972 3.045 15.830 446 HB2 PRO 54 2HB PRO 54 10.222 3.079 18.725 447 HB3 PRO 54 1HB PRO 54 11.688 3.701 17.937 448 HG2 PRO 54 2HG PRO 54 9.845 5.374 18.930 449 HG3 PRO 54 1HG PRO 54 10.729 5.754 17.434 450 HD2 PRO 54 2HD PRO 54 7.934 4.651 17.738 451 HD3 PRO 54 1HD PRO 54 8.524 5.950 16.672 452 H GLY 55 H GLY 55 8.089 2.310 17.823 453 HA2 GLY 55 2HA GLY 55 8.713 -0.443 18.231 454 HA3 GLY 55 1HA GLY 55 7.195 0.358 18.599 455 H ILE 56 H ILE 56 9.028 -1.243 16.092 456 HA ILE 56 HA ILE 56 6.561 -1.889 14.570 457 HB ILE 56 HB ILE 56 9.469 -1.840 13.623 458 HG12 ILE 56 2HG1 ILE 56 7.205 0.067 12.884 459 HG13 ILE 56 1HG1 ILE 56 8.529 0.448 13.983 460 HG21 ILE 56 1HG2 ILE 56 8.607 -2.235 11.354 461 HG22 ILE 56 2HG2 ILE 56 6.965 -2.347 11.986 462 HG23 ILE 56 3HG2 ILE 56 8.165 -3.559 12.435 463 HD11 ILE 56 1HD1 ILE 56 10.119 0.121 12.118 464 HD12 ILE 56 2HD1 ILE 56 8.955 1.411 11.841 465 HD13 ILE 56 3HD1 ILE 56 8.749 -0.141 11.031 466 H THR 57 H THR 57 9.666 -3.114 15.584 467 HA THR 57 HA THR 57 10.614 -5.082 16.078 468 HB THR 57 HB THR 57 9.409 -6.670 17.437 469 HG1 THR 57 HG1 THR 57 6.929 -5.577 16.569 470 HG21 THR 57 1HG2 THR 57 7.990 -4.016 17.886 471 HG22 THR 57 2HG2 THR 57 9.598 -4.411 18.510 472 HG23 THR 57 3HG2 THR 57 8.188 -5.314 19.071 473 H ARG 58 H ARG 58 10.223 -7.644 15.677 474 HA ARG 58 HA ARG 58 10.484 -8.218 12.967 475 HB2 ARG 58 2HB ARG 58 11.241 -9.585 14.956 476 HB3 ARG 58 1HB ARG 58 9.584 -10.084 15.218 477 HG2 ARG 58 2HG ARG 58 11.033 -10.742 12.637 478 HG3 ARG 58 1HG ARG 58 11.253 -11.722 14.082 479 HD2 ARG 58 2HD ARG 58 8.600 -11.848 14.030 480 HD3 ARG 58 1HD ARG 58 8.818 -11.426 12.329 481 HE ARG 58 HE ARG 58 9.760 -13.873 13.677 482 HH11 ARG 58 1HH1 ARG 58 9.264 -12.158 10.635 483 HH12 ARG 58 2HH1 ARG 58 9.542 -13.568 9.668 484 HH21 ARG 58 1HH2 ARG 58 10.080 -15.698 12.388 485 HH22 ARG 58 2HH2 ARG 58 10.000 -15.564 10.661 486 H SER 59 H SER 59 7.622 -8.313 15.064 487 HA SER 59 HA SER 59 5.900 -9.766 13.387 488 HB2 SER 59 2HB SER 59 5.210 -7.804 15.606 489 HB3 SER 59 1HB SER 59 4.083 -8.956 14.883 490 HG SER 59 HG SER 59 4.936 -10.500 16.030 491 H ILE 60 H ILE 60 6.109 -6.175 13.861 492 HA ILE 60 HA ILE 60 3.966 -5.725 11.920 493 HB ILE 60 HB ILE 60 5.763 -3.747 13.374 494 HG12 ILE 60 2HG1 ILE 60 2.880 -4.325 14.127 495 HG13 ILE 60 1HG1 ILE 60 4.182 -5.320 14.757 496 HG21 ILE 60 1HG2 ILE 60 3.213 -3.190 11.850 497 HG22 ILE 60 2HG2 ILE 60 4.839 -2.664 11.413 498 HG23 ILE 60 3HG2 ILE 60 4.062 -2.019 12.863 499 HD11 ILE 60 1HD1 ILE 60 3.589 -3.658 16.369 500 HD12 ILE 60 2HD1 ILE 60 3.825 -2.361 15.203 501 HD13 ILE 60 3HD1 ILE 60 5.218 -3.306 15.763 502 H GLN 61 H GLN 61 7.490 -5.782 11.974 503 HA GLN 61 HA GLN 61 8.081 -4.515 9.538 504 HB2 GLN 61 2HB GLN 61 9.816 -5.243 11.119 505 HB3 GLN 61 1HB GLN 61 9.399 -6.931 10.848 506 HG2 GLN 61 2HG GLN 61 10.220 -6.800 8.547 507 HG3 GLN 61 1HG GLN 61 10.548 -5.077 8.736 508 HE21 GLN 61 1HE2 GLN 61 12.422 -7.215 8.036 509 HE22 GLN 61 2HE2 GLN 61 13.665 -7.175 9.232 510 H ASP 62 H ASP 62 7.235 -7.922 10.207 511 HA ASP 62 HA ASP 62 7.176 -8.725 7.465 512 HB2 ASP 62 2HB ASP 62 6.221 -10.022 10.032 513 HB3 ASP 62 1HB ASP 62 5.910 -10.772 8.467 514 H MET 63 H MET 63 4.613 -7.611 9.709 515 HA MET 63 HA MET 63 2.408 -8.230 8.026 516 HB2 MET 63 2HB MET 63 2.612 -6.147 10.244 517 HB3 MET 63 1HB MET 63 1.118 -6.515 9.388 518 HG2 MET 63 2HG MET 63 1.463 -8.933 10.151 519 HG3 MET 63 1HG MET 63 2.674 -8.292 11.257 520 HE1 MET 63 1HE MET 63 1.313 -5.438 12.101 521 HE2 MET 63 2HE MET 63 2.091 -6.552 13.228 522 HE3 MET 63 3HE MET 63 0.460 -5.962 13.551 523 H VAL 64 H VAL 64 3.879 -5.015 8.646 524 HA VAL 64 HA VAL 64 2.602 -3.608 6.611 525 HB VAL 64 HB VAL 64 5.263 -3.086 8.004 526 HG11 VAL 64 1HG1 VAL 64 5.174 -0.761 7.122 527 HG12 VAL 64 2HG1 VAL 64 3.806 -1.213 6.101 528 HG13 VAL 64 3HG1 VAL 64 5.386 -1.950 5.834 529 HG21 VAL 64 1HG2 VAL 64 3.254 -2.961 9.437 530 HG22 VAL 64 2HG2 VAL 64 2.519 -1.800 8.329 531 HG23 VAL 64 3HG2 VAL 64 3.970 -1.358 9.233 532 H ALA 65 H ALA 65 5.879 -5.232 6.422 533 HA ALA 65 HA ALA 65 6.355 -4.439 3.726 534 HB1 ALA 65 1HB ALA 65 8.179 -6.067 3.641 535 HB2 ALA 65 2HB ALA 65 7.571 -6.852 5.110 536 HB3 ALA 65 3HB ALA 65 8.201 -5.207 5.190 537 H GLY 66 H GLY 66 4.684 -7.239 5.103 538 HA2 GLY 66 2HA GLY 66 4.297 -8.747 2.734 539 HA3 GLY 66 1HA GLY 66 3.288 -8.800 4.165 540 H TYR 67 H TYR 67 2.419 -6.137 4.228 541 HA TYR 67 HA TYR 67 0.274 -6.052 2.380 542 HB2 TYR 67 2HB TYR 67 1.427 -3.955 4.256 543 HB3 TYR 67 1HB TYR 67 0.013 -3.641 3.250 544 HD1 TYR 67 HD1 TYR 67 -1.086 -6.626 3.642 545 HD2 TYR 67 HD2 TYR 67 0.185 -3.528 6.295 546 HE1 TYR 67 HE1 TYR 67 -2.587 -7.501 5.378 547 HE2 TYR 67 HE2 TYR 67 -1.311 -4.398 8.001 548 HH TYR 67 HH TYR 67 -2.800 -7.455 7.808 549 H ILE 68 H ILE 68 3.398 -4.364 2.532 550 HA ILE 68 HA ILE 68 3.095 -2.625 0.347 551 HB ILE 68 HB ILE 68 5.669 -3.896 1.415 552 HG12 ILE 68 2HG1 ILE 68 4.460 -1.150 1.988 553 HG13 ILE 68 1HG1 ILE 68 4.429 -2.513 3.090 554 HG21 ILE 68 1HG2 ILE 68 6.026 -3.087 -0.875 555 HG22 ILE 68 2HG2 ILE 68 6.873 -2.048 0.268 556 HG23 ILE 68 3HG2 ILE 68 5.355 -1.511 -0.451 557 HD11 ILE 68 1HD1 ILE 68 6.113 -0.921 3.746 558 HD12 ILE 68 2HD1 ILE 68 6.890 -1.037 2.168 559 HD13 ILE 68 3HD1 ILE 68 6.876 -2.432 3.251 560 H LYS 69 H LYS 69 4.479 -5.913 0.548 561 HA LYS 69 HA LYS 69 5.245 -6.279 -2.112 562 HB2 LYS 69 2HB LYS 69 5.861 -7.778 -0.175 563 HB3 LYS 69 1HB LYS 69 4.226 -8.415 -0.183 564 HG2 LYS 69 2HG LYS 69 5.711 -9.978 -1.307 565 HG3 LYS 69 1HG LYS 69 4.590 -9.288 -2.488 566 HD2 LYS 69 2HD LYS 69 6.353 -7.730 -3.256 567 HD3 LYS 69 1HD LYS 69 7.474 -8.395 -2.062 568 HE2 LYS 69 2HE LYS 69 7.921 -9.334 -4.279 569 HE3 LYS 69 1HE LYS 69 7.347 -10.601 -3.197 570 HZ1 LYS 69 1HZ LYS 69 6.322 -10.732 -5.393 571 HZ2 LYS 69 2HZ LYS 69 5.672 -9.179 -5.212 572 HZ3 LYS 69 3HZ LYS 69 5.161 -10.432 -4.205 573 H GLN 70 H GLN 70 2.192 -7.041 -0.444 574 HA GLN 70 HA GLN 70 0.839 -8.284 -2.548 575 HB2 GLN 70 2HB GLN 70 0.044 -8.313 -0.179 576 HB3 GLN 70 1HB GLN 70 -0.423 -6.617 -0.326 577 HG2 GLN 70 2HG GLN 70 -1.951 -7.304 -2.233 578 HG3 GLN 70 1HG GLN 70 -1.581 -8.981 -1.840 579 HE21 GLN 70 1HE2 GLN 70 -3.688 -9.482 -1.356 580 HE22 GLN 70 2HE2 GLN 70 -4.504 -8.879 0.042 581 H THR 71 H THR 71 0.946 -4.831 -1.603 582 HA THR 71 HA THR 71 -0.996 -4.088 -3.592 583 HB THR 71 HB THR 71 -1.054 -2.860 -1.511 584 HG1 THR 71 HG1 THR 71 -1.587 -1.137 -2.571 585 HG21 THR 71 1HG2 THR 71 1.699 -1.758 -2.103 586 HG22 THR 71 2HG2 THR 71 1.327 -2.957 -0.868 587 HG23 THR 71 3HG2 THR 71 0.646 -1.339 -0.741 588 H LEU 72 H LEU 72 2.501 -4.328 -3.426 589 HA LEU 72 HA LEU 72 3.172 -2.787 -5.701 590 HB2 LEU 72 2HB LEU 72 4.549 -5.326 -4.700 591 HB3 LEU 72 1HB LEU 72 5.181 -4.290 -5.967 592 HG LEU 72 HG LEU 72 4.954 -3.675 -3.014 593 HD11 LEU 72 1HD1 LEU 72 7.359 -3.330 -3.106 594 HD12 LEU 72 2HD1 LEU 72 7.364 -3.709 -4.832 595 HD13 LEU 72 3HD1 LEU 72 6.920 -4.949 -3.654 596 HD21 LEU 72 1HD2 LEU 72 4.192 -1.680 -4.126 597 HD22 LEU 72 2HD2 LEU 72 5.596 -1.688 -5.205 598 HD23 LEU 72 3HD2 LEU 72 5.808 -1.412 -3.472 599 H ASP 73 H ASP 73 2.388 -6.262 -5.334 600 HA ASP 73 HA ASP 73 2.406 -6.903 -8.093 601 HB2 ASP 73 2HB ASP 73 1.100 -8.297 -5.724 602 HB3 ASP 73 1HB ASP 73 1.058 -8.963 -7.357 603 H ASN 74 H ASN 74 -0.345 -6.130 -5.938 604 HA ASN 74 HA ASN 74 -2.500 -6.485 -7.638 605 HB2 ASN 74 2HB ASN 74 -2.124 -4.379 -5.460 606 HB3 ASN 74 1HB ASN 74 -3.666 -4.671 -6.259 607 HD21 ASN 74 1HD2 ASN 74 -2.947 -4.884 -3.461 608 HD22 ASN 74 2HD2 ASN 74 -3.355 -6.492 -2.988 609 H GLU 75 H GLU 75 -0.706 -3.466 -7.047 610 HA GLU 75 HA GLU 75 -2.108 -1.944 -9.011 611 HB2 GLU 75 2HB GLU 75 -0.949 -1.051 -6.897 612 HB3 GLU 75 1HB GLU 75 0.575 -1.229 -7.762 613 HG2 GLU 75 2HG GLU 75 -0.549 0.260 -9.590 614 HG3 GLU 75 1HG GLU 75 -1.724 0.651 -8.341 615 H GLN 76 H GLN 76 0.884 -3.846 -9.037 616 HA GLN 76 HA GLN 76 2.010 -2.928 -11.476 617 HB2 GLN 76 2HB GLN 76 3.323 -4.271 -9.906 618 HB3 GLN 76 1HB GLN 76 2.217 -5.625 -10.069 619 HG2 GLN 76 2HG GLN 76 2.928 -5.898 -12.430 620 HG3 GLN 76 1HG GLN 76 4.062 -4.563 -12.231 621 HE21 GLN 76 1HE2 GLN 76 3.459 -7.046 -9.759 622 HE22 GLN 76 2HE2 GLN 76 5.014 -7.780 -9.882 623 H LEU 77 H LEU 77 -0.315 -5.494 -10.730 624 HA LEU 77 HA LEU 77 -0.599 -6.538 -13.365 625 HB2 LEU 77 2HB LEU 77 -2.457 -6.658 -10.961 626 HB3 LEU 77 1HB LEU 77 -2.703 -7.581 -12.436 627 HG LEU 77 HG LEU 77 -0.296 -7.875 -10.592 628 HD11 LEU 77 1HD1 LEU 77 -2.330 -8.653 -9.487 629 HD12 LEU 77 2HD1 LEU 77 -1.257 -9.994 -9.874 630 HD13 LEU 77 3HD1 LEU 77 -2.695 -9.704 -10.858 631 HD21 LEU 77 1HD2 LEU 77 0.248 -8.441 -12.907 632 HD22 LEU 77 2HD2 LEU 77 -1.124 -9.552 -12.981 633 HD23 LEU 77 3HD2 LEU 77 0.229 -9.883 -11.895 634 H LEU 78 H LEU 78 -2.367 -4.079 -11.472 635 HA LEU 78 HA LEU 78 -4.265 -3.307 -13.379 636 HB2 LEU 78 2HB LEU 78 -2.841 -1.623 -11.287 637 HB3 LEU 78 1HB LEU 78 -4.204 -1.037 -12.236 638 HG LEU 78 HG LEU 78 -4.258 -3.340 -10.250 639 HD11 LEU 78 1HD1 LEU 78 -4.187 -1.118 -9.202 640 HD12 LEU 78 2HD1 LEU 78 -5.731 -1.930 -8.941 641 HD13 LEU 78 3HD1 LEU 78 -5.612 -0.637 -10.136 642 HD21 LEU 78 1HD2 LEU 78 -6.692 -3.412 -10.707 643 HD22 LEU 78 2HD2 LEU 78 -5.725 -3.868 -12.102 644 HD23 LEU 78 3HD2 LEU 78 -6.466 -2.266 -12.031 645 H LYS 79 H LYS 79 -0.967 -2.013 -12.901 646 HA LYS 79 HA LYS 79 -0.993 -0.104 -14.969 647 HB2 LYS 79 2HB LYS 79 1.106 -1.369 -13.252 648 HB3 LYS 79 1HB LYS 79 1.686 -0.686 -14.758 649 HG2 LYS 79 2HG LYS 79 1.966 0.950 -13.049 650 HG3 LYS 79 1HG LYS 79 0.680 1.504 -14.125 651 HD2 LYS 79 2HD LYS 79 -1.011 0.824 -12.485 652 HD3 LYS 79 1HD LYS 79 0.246 0.147 -11.445 653 HE2 LYS 79 2HE LYS 79 -0.073 3.062 -12.173 654 HE3 LYS 79 1HE LYS 79 -0.473 2.333 -10.628 655 HZ1 LYS 79 1HZ LYS 79 2.236 2.547 -11.817 656 HZ2 LYS 79 2HZ LYS 79 1.869 1.779 -10.353 657 HZ3 LYS 79 3HZ LYS 79 1.628 3.448 -10.516 658 H GLY 80 H GLY 80 -0.055 -3.506 -14.934 659 HA2 GLY 80 2HA GLY 80 0.969 -3.685 -17.582 660 HA3 GLY 80 1HA GLY 80 0.423 -5.021 -16.584 661 H LEU 81 H LEU 81 -2.240 -3.927 -16.189 662 HA LEU 81 HA LEU 81 -3.553 -4.807 -18.602 663 HB2 LEU 81 2HB LEU 81 -4.242 -5.104 -16.089 664 HB3 LEU 81 1HB LEU 81 -4.914 -3.494 -16.224 665 HG LEU 81 HG LEU 81 -5.789 -5.846 -17.962 666 HD11 LEU 81 1HD1 LEU 81 -7.107 -4.811 -15.428 667 HD12 LEU 81 2HD1 LEU 81 -6.282 -6.360 -15.629 668 HD13 LEU 81 3HD1 LEU 81 -7.768 -6.037 -16.517 669 HD21 LEU 81 1HD2 LEU 81 -7.124 -3.155 -17.508 670 HD22 LEU 81 2HD2 LEU 81 -7.788 -4.489 -18.458 671 HD23 LEU 81 3HD2 LEU 81 -6.314 -3.682 -18.983 672 H LEU 82 H LEU 82 -2.869 -1.671 -17.048 673 HA LEU 82 HA LEU 82 -4.769 -0.157 -18.621 674 HB2 LEU 82 2HB LEU 82 -2.562 0.712 -16.714 675 HB3 LEU 82 1HB LEU 82 -3.659 1.836 -17.495 676 HG LEU 82 HG LEU 82 -4.459 -0.303 -15.484 677 HD11 LEU 82 1HD1 LEU 82 -4.889 1.563 -13.951 678 HD12 LEU 82 2HD1 LEU 82 -4.273 2.703 -15.152 679 HD13 LEU 82 3HD1 LEU 82 -3.196 1.500 -14.438 680 HD21 LEU 82 1HD2 LEU 82 -6.279 0.071 -17.047 681 HD22 LEU 82 2HD2 LEU 82 -6.164 1.819 -16.817 682 HD23 LEU 82 3HD2 LEU 82 -6.671 0.781 -15.481 683 H GLN 83 H GLN 83 -1.214 0.066 -18.284 684 HA GLN 83 HA GLN 83 -0.832 0.819 -21.089 685 HB2 GLN 83 2HB GLN 83 -0.284 2.689 -18.739 686 HB3 GLN 83 1HB GLN 83 0.524 2.879 -20.284 687 HG2 GLN 83 2HG GLN 83 -2.480 3.012 -19.914 688 HG3 GLN 83 1HG GLN 83 -1.413 4.416 -19.921 689 HE21 GLN 83 1HE2 GLN 83 -0.336 4.974 -21.865 690 HE22 GLN 83 2HE2 GLN 83 -0.942 4.462 -23.402 691 H GLN 84 H GLN 84 0.959 1.160 -18.027 692 HA GLN 84 HA GLN 84 2.886 -0.879 -18.466 693 HB2 GLN 84 2HB GLN 84 3.535 0.861 -20.255 694 HB3 GLN 84 1HB GLN 84 3.913 1.968 -18.941 695 HG2 GLN 84 2HG GLN 84 5.638 0.374 -18.127 696 HG3 GLN 84 1HG GLN 84 5.261 -0.701 -19.468 697 HE21 GLN 84 1HE2 GLN 84 4.972 1.538 -21.397 698 HE22 GLN 84 2HE2 GLN 84 6.578 2.085 -21.698 699 H ARG 85 H ARG 85 4.632 -0.708 -16.794 700 HA ARG 85 HA ARG 85 3.785 -0.488 -14.234 701 HB2 ARG 85 2HB ARG 85 6.204 -0.477 -13.575 702 HB3 ARG 85 1HB ARG 85 5.809 -1.655 -14.823 703 HG2 ARG 85 2HG ARG 85 6.629 0.152 -16.510 704 HG3 ARG 85 1HG ARG 85 7.371 0.925 -15.107 705 HD2 ARG 85 2HD ARG 85 8.987 -0.489 -16.284 706 HD3 ARG 85 1HD ARG 85 8.666 -1.144 -14.674 707 HE ARG 85 HE ARG 85 6.935 -2.562 -16.087 708 HH11 ARG 85 1HH1 ARG 85 10.304 -1.882 -16.918 709 HH12 ARG 85 2HH1 ARG 85 10.476 -3.346 -17.836 710 HH21 ARG 85 1HH2 ARG 85 7.172 -4.407 -17.335 711 HH22 ARG 85 2HH2 ARG 85 8.698 -4.779 -18.072 712 H LEU 86 H LEU 86 5.157 2.174 -16.118 713 HA LEU 86 HA LEU 86 4.328 4.075 -14.009 714 HB2 LEU 86 2HB LEU 86 6.862 4.266 -15.697 715 HB3 LEU 86 1HB LEU 86 6.270 5.527 -14.626 716 HG LEU 86 HG LEU 86 7.311 2.791 -13.788 717 HD11 LEU 86 1HD1 LEU 86 9.120 4.053 -12.716 718 HD12 LEU 86 2HD1 LEU 86 8.472 5.557 -13.379 719 HD13 LEU 86 3HD1 LEU 86 9.084 4.301 -14.460 720 HD21 LEU 86 1HD2 LEU 86 6.182 5.007 -12.045 721 HD22 LEU 86 2HD2 LEU 86 7.049 3.592 -11.448 722 HD23 LEU 86 3HD2 LEU 86 5.511 3.393 -12.279 723 H ASP 87 H ASP 87 2.443 4.644 -15.010 724 HA ASP 87 HA ASP 87 2.656 6.604 -17.102 725 HB2 ASP 87 2HB ASP 87 2.473 4.365 -18.366 726 HB3 ASP 87 1HB ASP 87 0.849 4.211 -17.709 727 H GLU 88 H GLU 88 -0.322 4.755 -16.475 728 HA GLU 88 HA GLU 88 -1.592 7.036 -15.152 729 HB2 GLU 88 2HB GLU 88 -2.730 4.265 -15.782 730 HB3 GLU 88 1HB GLU 88 -3.651 5.678 -15.269 731 HG2 GLU 88 2HG GLU 88 -3.009 6.842 -17.358 732 HG3 GLU 88 1HG GLU 88 -2.128 5.409 -17.881 733 H LEU 89 H LEU 89 -2.439 6.957 -13.001 734 HA LEU 89 HA LEU 89 -2.432 6.583 -10.767 735 HB2 LEU 89 2HB LEU 89 -2.113 3.693 -11.653 736 HB3 LEU 89 1HB LEU 89 -2.406 4.146 -9.983 737 HG LEU 89 HG LEU 89 -4.339 4.733 -12.273 738 HD11 LEU 89 1HD1 LEU 89 -4.120 2.297 -11.927 739 HD12 LEU 89 2HD1 LEU 89 -5.710 2.887 -11.454 740 HD13 LEU 89 3HD1 LEU 89 -4.510 2.503 -10.214 741 HD21 LEU 89 1HD2 LEU 89 -5.953 5.221 -10.482 742 HD22 LEU 89 2HD2 LEU 89 -4.558 6.290 -10.391 743 HD23 LEU 89 3HD2 LEU 89 -4.705 4.939 -9.263 744 H SER 90 H SER 90 0.187 7.027 -12.206 745 HA SER 90 HA SER 90 2.118 5.839 -10.282 746 HB2 SER 90 2HB SER 90 2.647 6.818 -13.127 747 HB3 SER 90 1HB SER 90 3.809 6.022 -12.059 748 HG SER 90 HG SER 90 1.363 4.853 -12.913 749 H SER 91 H SER 91 1.228 8.772 -12.087 750 HA SER 91 HA SER 91 3.047 10.523 -10.688 751 HB2 SER 91 2HB SER 91 0.704 11.195 -12.524 752 HB3 SER 91 1HB SER 91 1.976 12.309 -12.008 753 HG SER 91 HG SER 91 1.986 10.510 -14.027 754 H LEU 92 H LEU 92 2.581 10.422 -8.504 755 HA LEU 92 HA LEU 92 -0.182 10.679 -7.567 756 HB2 LEU 92 2HB LEU 92 2.328 10.267 -5.909 757 HB3 LEU 92 1HB LEU 92 0.667 10.098 -5.366 758 HG LEU 92 HG LEU 92 2.305 8.216 -7.088 759 HD11 LEU 92 1HD1 LEU 92 1.472 6.524 -5.500 760 HD12 LEU 92 2HD1 LEU 92 0.582 7.777 -4.633 761 HD13 LEU 92 3HD1 LEU 92 2.345 7.827 -4.700 762 HD21 LEU 92 1HD2 LEU 92 0.278 8.491 -8.389 763 HD22 LEU 92 2HD2 LEU 92 -0.726 8.201 -6.966 764 HD23 LEU 92 3HD2 LEU 92 0.282 6.906 -7.621 765 H ILE 93 H ILE 93 2.919 12.213 -6.530 766 HA ILE 93 HA ILE 93 1.629 14.664 -5.692 767 HB ILE 93 HB ILE 93 4.611 14.187 -6.170 768 HG12 ILE 93 2HG1 ILE 93 3.098 13.890 -3.537 769 HG13 ILE 93 1HG1 ILE 93 3.617 12.541 -4.542 770 HG21 ILE 93 1HG2 ILE 93 3.220 16.296 -4.474 771 HG22 ILE 93 2HG2 ILE 93 4.037 16.577 -6.012 772 HG23 ILE 93 3HG2 ILE 93 4.967 16.072 -4.601 773 HD11 ILE 93 1HD1 ILE 93 5.437 14.533 -3.188 774 HD12 ILE 93 2HD1 ILE 93 5.953 13.183 -4.202 775 HD13 ILE 93 3HD1 ILE 93 5.119 12.874 -2.681 776 H GLY 94 H GLY 94 3.589 13.579 -8.435 777 HA2 GLY 94 2HA GLY 94 2.413 15.362 -10.325 778 HA3 GLY 94 1HA GLY 94 4.011 15.931 -9.849 779 H GLN 95 H GLN 95 4.997 13.166 -9.443 780 HA GLN 95 HA GLN 95 4.984 11.987 -12.141 781 HB2 GLN 95 2HB GLN 95 7.459 11.867 -12.195 782 HB3 GLN 95 1HB GLN 95 6.895 13.535 -12.174 783 HG2 GLN 95 2HG GLN 95 7.379 13.623 -9.725 784 HG3 GLN 95 1HG GLN 95 8.036 11.988 -9.827 785 HE21 GLN 95 1HE2 GLN 95 10.102 12.647 -9.162 786 HE22 GLN 95 2HE2 GLN 95 11.146 13.593 -10.163 787 H SER 96 H SER 96 6.704 9.987 -11.912 788 HA SER 96 HA SER 96 5.243 8.088 -10.414 789 HB2 SER 96 2HB SER 96 7.885 7.802 -11.892 790 HB3 SER 96 1HB SER 96 6.884 6.465 -11.319 791 HG SER 96 HG SER 96 6.699 7.591 -13.621 792 H THR 97 H THR 97 5.425 8.903 -8.265 793 HA THR 97 HA THR 97 7.943 8.654 -6.817 794 HB THR 97 HB THR 97 5.112 9.313 -5.880 795 HG1 THR 97 HG1 THR 97 7.350 11.048 -6.203 796 HG21 THR 97 1HG2 THR 97 7.734 9.558 -4.353 797 HG22 THR 97 2HG2 THR 97 6.419 8.436 -3.986 798 HG23 THR 97 3HG2 THR 97 6.175 10.176 -3.806 799 H ARG 98 H ARG 98 4.887 6.962 -7.227 800 HA ARG 98 HA ARG 98 4.599 5.565 -4.892 801 HB2 ARG 98 2HB ARG 98 2.987 5.856 -6.881 802 HB3 ARG 98 1HB ARG 98 3.770 4.466 -7.611 803 HG2 ARG 98 2HG ARG 98 2.345 4.412 -4.924 804 HG3 ARG 98 1HG ARG 98 1.587 3.983 -6.455 805 HD2 ARG 98 2HD ARG 98 3.250 2.142 -6.718 806 HD3 ARG 98 1HD ARG 98 3.914 2.539 -5.131 807 HE ARG 98 HE ARG 98 1.301 2.152 -4.606 808 HH11 ARG 98 1HH1 ARG 98 3.577 0.157 -6.398 809 HH12 ARG 98 2HH1 ARG 98 2.783 -1.315 -5.961 810 HH21 ARG 98 1HH2 ARG 98 0.337 0.245 -4.030 811 HH22 ARG 98 2HH2 ARG 98 0.956 -1.245 -4.622 812 H GLN 99 H GLN 99 6.080 4.251 -7.893 813 HA GLN 99 HA GLN 99 6.386 1.620 -6.948 814 HB2 GLN 99 2HB GLN 99 6.355 2.123 -9.347 815 HB3 GLN 99 1HB GLN 99 7.841 3.054 -9.207 816 HG2 GLN 99 2HG GLN 99 9.065 0.980 -8.593 817 HG3 GLN 99 1HG GLN 99 7.577 0.060 -8.768 818 HE21 GLN 99 1HE2 GLN 99 6.655 1.369 -11.185 819 HE22 GLN 99 2HE2 GLN 99 7.715 0.874 -12.450 820 H LYS 100 H LYS 100 8.791 4.224 -7.285 821 HA LYS 100 HA LYS 100 11.009 2.825 -6.242 822 HB2 LYS 100 2HB LYS 100 11.284 4.793 -7.666 823 HB3 LYS 100 1HB LYS 100 10.468 5.812 -6.483 824 HG2 LYS 100 2HG LYS 100 12.310 5.468 -4.886 825 HG3 LYS 100 1HG LYS 100 13.120 4.395 -6.031 826 HD2 LYS 100 2HD LYS 100 13.437 6.254 -7.594 827 HD3 LYS 100 1HD LYS 100 12.523 7.335 -6.535 828 HE2 LYS 100 2HE LYS 100 14.959 7.682 -6.308 829 HE3 LYS 100 1HE LYS 100 14.240 7.127 -4.798 830 HZ1 LYS 100 1HZ LYS 100 15.738 5.443 -6.729 831 HZ2 LYS 100 2HZ LYS 100 15.024 4.891 -5.309 832 HZ3 LYS 100 3HZ LYS 100 16.307 5.986 -5.234 833 H SER 101 H SER 101 8.605 4.953 -4.733 834 HA SER 101 HA SER 101 9.981 5.340 -2.272 835 HB2 SER 101 2HB SER 101 8.282 6.930 -3.170 836 HB3 SER 101 1HB SER 101 7.020 5.730 -2.887 837 HG SER 101 HG SER 101 7.251 5.972 -0.737 838 H LEU 102 H LEU 102 7.436 3.101 -3.338 839 HA LEU 102 HA LEU 102 6.971 2.063 -0.683 840 HB2 LEU 102 2HB LEU 102 5.400 2.182 -2.966 841 HB3 LEU 102 1HB LEU 102 5.882 0.496 -2.973 842 HG LEU 102 HG LEU 102 5.017 0.308 -0.593 843 HD11 LEU 102 1HD1 LEU 102 3.483 2.055 0.218 844 HD12 LEU 102 2HD1 LEU 102 3.942 3.086 -1.141 845 HD13 LEU 102 3HD1 LEU 102 5.142 2.628 0.071 846 HD21 LEU 102 1HD2 LEU 102 2.652 0.204 -1.199 847 HD22 LEU 102 2HD2 LEU 102 3.664 -0.478 -2.467 848 HD23 LEU 102 3HD2 LEU 102 2.970 1.132 -2.668 849 H ASN 103 H ASN 103 8.705 1.040 -3.604 850 HA ASN 103 HA ASN 103 9.562 -1.513 -2.725 851 HB2 ASN 103 2HB ASN 103 9.809 -0.824 -5.073 852 HB3 ASN 103 1HB ASN 103 10.919 0.464 -4.621 853 HD21 ASN 103 1HD2 ASN 103 13.064 -0.087 -4.031 854 HD22 ASN 103 2HD2 ASN 103 13.741 -1.635 -4.391 855 H ASN 104 H ASN 104 10.882 1.747 -2.281 856 HA ASN 104 HA ASN 104 13.244 1.030 -0.872 857 HB2 ASN 104 2HB ASN 104 12.995 3.241 -1.936 858 HB3 ASN 104 1HB ASN 104 11.684 3.654 -0.837 859 HD21 ASN 104 1HD2 ASN 104 12.193 4.351 1.242 860 HD22 ASN 104 2HD2 ASN 104 13.808 4.652 1.774 861 H ALA 105 H ALA 105 9.949 1.904 0.158 862 HA ALA 105 HA ALA 105 10.324 1.908 2.936 863 HB1 ALA 105 1HB ALA 105 7.895 1.568 3.104 864 HB2 ALA 105 2HB ALA 105 7.825 1.108 1.398 865 HB3 ALA 105 3HB ALA 105 8.275 2.754 1.852 866 H TYR 106 H TYR 106 9.474 -0.742 0.708 867 HA TYR 106 HA TYR 106 9.151 -2.835 2.545 868 HB2 TYR 106 2HB TYR 106 8.473 -2.919 0.114 869 HB3 TYR 106 1HB TYR 106 10.166 -3.034 -0.335 870 HD1 TYR 106 HD1 TYR 106 11.487 -5.140 0.572 871 HD2 TYR 106 HD2 TYR 106 7.228 -4.919 0.529 872 HE1 TYR 106 HE1 TYR 106 11.360 -7.575 0.744 873 HE2 TYR 106 HE2 TYR 106 7.117 -7.364 0.702 874 HH TYR 106 HH TYR 106 9.828 -9.301 1.442 875 H GLY 107 H GLY 107 11.999 -1.873 0.617 876 HA2 GLY 107 2HA GLY 107 13.677 -4.026 1.396 877 HA3 GLY 107 1HA GLY 107 14.183 -2.556 0.576 878 H ARG 108 H ARG 108 13.517 -0.632 2.409 879 HA ARG 108 HA ARG 108 15.648 -0.741 4.271 880 HB2 ARG 108 2HB ARG 108 13.324 1.197 3.956 881 HB3 ARG 108 1HB ARG 108 14.569 1.408 5.182 882 HG2 ARG 108 2HG ARG 108 14.998 1.418 2.172 883 HG3 ARG 108 1HG ARG 108 15.015 2.822 3.244 884 HD2 ARG 108 2HD ARG 108 17.014 0.538 3.149 885 HD3 ARG 108 1HD ARG 108 17.302 2.247 2.803 886 HE ARG 108 HE ARG 108 16.583 2.509 5.290 887 HH11 ARG 108 1HH1 ARG 108 18.588 -0.099 4.042 888 HH12 ARG 108 2HH1 ARG 108 19.405 -0.333 5.552 889 HH21 ARG 108 1HH2 ARG 108 17.625 2.102 7.275 890 HH22 ARG 108 2HH2 ARG 108 18.869 0.894 7.363 891 H LEU 109 H LEU 109 12.150 -1.395 4.531 892 HA LEU 109 HA LEU 109 12.050 -1.637 7.377 893 HB2 LEU 109 2HB LEU 109 10.060 -1.300 5.918 894 HB3 LEU 109 1HB LEU 109 10.254 -2.930 5.301 895 HG LEU 109 HG LEU 109 9.756 -3.851 7.558 896 HD11 LEU 109 1HD1 LEU 109 8.897 -2.401 9.354 897 HD12 LEU 109 2HD1 LEU 109 9.313 -0.970 8.404 898 HD13 LEU 109 3HD1 LEU 109 10.584 -2.052 8.978 899 HD21 LEU 109 1HD2 LEU 109 7.946 -3.527 5.940 900 HD22 LEU 109 2HD2 LEU 109 7.659 -1.903 6.570 901 HD23 LEU 109 3HD2 LEU 109 7.378 -3.314 7.595 902 H SER 110 H SER 110 12.605 -3.891 4.759 903 HA SER 110 HA SER 110 12.653 -6.277 6.278 904 HB2 SER 110 2HB SER 110 12.174 -6.185 3.841 905 HB3 SER 110 1HB SER 110 13.826 -5.654 3.534 906 HG SER 110 HG SER 110 12.937 -8.159 4.521 907 H GLY 111 H GLY 111 15.069 -3.839 5.407 908 HA2 GLY 111 2HA GLY 111 17.317 -5.460 6.318 909 HA3 GLY 111 1HA GLY 111 17.383 -3.848 5.635 910 H MET 112 H MET 112 16.377 -2.043 7.166 911 HA MET 112 HA MET 112 17.336 -2.560 9.915 912 HB2 MET 112 2HB MET 112 18.316 -0.596 8.923 913 HB3 MET 112 1HB MET 112 16.742 0.037 8.459 914 HG2 MET 112 2HG MET 112 17.762 1.185 10.436 915 HG3 MET 112 1HG MET 112 16.165 0.499 10.749 916 HE1 MET 112 1HE MET 112 17.393 -0.313 14.246 917 HE2 MET 112 2HE MET 112 16.020 0.090 13.213 918 HE3 MET 112 3HE MET 112 17.384 1.203 13.341 919 H LEU 113 H LEU 113 14.618 -0.537 8.651 920 HA LEU 113 HA LEU 113 12.384 -1.683 9.769 921 HB2 LEU 113 2HB LEU 113 13.886 -0.054 11.836 922 HB3 LEU 113 1HB LEU 113 12.140 0.066 11.825 923 HG LEU 113 HG LEU 113 13.796 -2.412 12.418 924 HD11 LEU 113 1HD1 LEU 113 13.615 -0.868 14.276 925 HD12 LEU 113 2HD1 LEU 113 12.722 -2.351 14.599 926 HD13 LEU 113 3HD1 LEU 113 11.852 -0.881 14.148 927 HD21 LEU 113 1HD2 LEU 113 11.662 -3.626 12.741 928 HD22 LEU 113 2HD2 LEU 113 11.915 -3.143 11.067 929 HD23 LEU 113 3HD2 LEU 113 10.785 -2.241 12.079 930 H LEU 114 H LEU 114 13.021 -0.255 7.560 931 HA LEU 114 HA LEU 114 11.842 0.906 6.030 932 HB2 LEU 114 2HB LEU 114 9.913 0.680 7.827 933 HB3 LEU 114 1HB LEU 114 10.182 2.387 8.072 934 HG LEU 114 HG LEU 114 9.456 1.222 5.346 935 HD11 LEU 114 1HD1 LEU 114 7.114 1.829 5.772 936 HD12 LEU 114 2HD1 LEU 114 7.522 2.306 7.424 937 HD13 LEU 114 3HD1 LEU 114 7.681 0.619 6.926 938 HD21 LEU 114 1HD2 LEU 114 9.215 4.066 6.404 939 HD22 LEU 114 2HD2 LEU 114 8.692 3.510 4.810 940 HD23 LEU 114 3HD2 LEU 114 10.401 3.487 5.234 941 H VAL 115 H VAL 115 13.414 2.368 8.659 942 HA VAL 115 HA VAL 115 13.444 5.082 7.689 943 HB VAL 115 HB VAL 115 14.949 5.492 9.630 944 HG11 VAL 115 1HG1 VAL 115 12.497 3.813 10.320 945 HG12 VAL 115 2HG1 VAL 115 12.510 5.547 9.984 946 HG13 VAL 115 3HG1 VAL 115 13.323 4.923 11.419 947 HG21 VAL 115 1HG2 VAL 115 14.785 2.480 10.096 948 HG22 VAL 115 2HG2 VAL 115 15.470 3.649 11.227 949 HG23 VAL 115 3HG2 VAL 115 16.233 3.394 9.659 950 HA PRO 116 HA PRO 116 17.031 4.324 4.985 951 HB2 PRO 116 2HB PRO 116 17.178 7.278 4.656 952 HB3 PRO 116 1HB PRO 116 16.804 6.035 3.445 953 HG2 PRO 116 2HG PRO 116 14.907 7.721 4.330 954 HG3 PRO 116 1HG PRO 116 14.529 6.027 3.936 955 HD2 PRO 116 2HD PRO 116 15.042 7.250 6.661 956 HD3 PRO 116 1HD PRO 116 13.728 6.158 6.148 957 H ASP 117 H ASP 117 18.496 3.618 6.506 958 HA ASP 117 HA ASP 117 20.623 5.222 7.427 959 HB2 ASP 117 2HB ASP 117 18.984 6.057 9.078 960 HB3 ASP 117 1HB ASP 117 18.572 4.409 9.547 961 H ALA 118 H ALA 118 21.707 3.545 6.397 962 HA ALA 118 HA ALA 118 21.449 0.775 7.210 963 HB1 ALA 118 1HB ALA 118 23.483 2.113 5.383 964 HB2 ALA 118 2HB ALA 118 21.980 1.341 4.872 965 HB3 ALA 118 3HB ALA 118 23.271 0.372 5.582 966 HA PRO 119 HA PRO 119 24.712 1.491 10.402 967 HB2 PRO 119 2HB PRO 119 23.657 -0.017 12.352 968 HB3 PRO 119 1HB PRO 119 22.815 1.459 11.832 969 HG2 PRO 119 2HG PRO 119 22.111 -1.389 11.289 970 HG3 PRO 119 1HG PRO 119 21.051 0.027 11.449 971 HD2 PRO 119 2HD PRO 119 22.066 -1.140 9.001 972 HD3 PRO 119 1HD PRO 119 21.017 0.286 9.176 973 H GLY 120 H GLY 120 24.706 -0.736 8.195 974 HA2 GLY 120 2HA GLY 120 26.030 -2.583 7.709 975 HA3 GLY 120 1HA GLY 120 26.574 -2.636 9.382 976 H ALA 121 H ALA 121 24.838 -3.223 10.979 977 HA ALA 121 HA ALA 121 22.398 -4.462 10.200 978 HB1 ALA 121 1HB ALA 121 23.875 -6.371 9.625 979 HB2 ALA 121 2HB ALA 121 22.850 -6.766 11.004 980 HB3 ALA 121 3HB ALA 121 24.547 -6.354 11.257 981 H SER 122 H SER 122 21.167 -5.159 12.120 982 HA SER 122 HA SER 122 22.043 -3.828 14.618 983 HB2 SER 122 2HB SER 122 19.225 -4.689 13.805 984 HB3 SER 122 1HB SER 122 19.672 -3.716 15.209 985 HG SER 122 HG SER 122 20.278 -2.912 12.562
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